#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddf s GLN 32 N 0.00 3.82 -0.29 0.00 -0.21 -1.26 -4.99 119.66 116.73 3ddf s GLN 32 Ca 0.00 1.80 -0.26 0.00 0.02 0.00 0.00 55.36 56.92 3ddf s GLN 32 Cb 0.00 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.55 3ddf s GLN 32 CO 0.00 -0.51 0.93 0.34 -2.12 0.00 0.00 175.29 173.93 3ddf s ASP 33 N -1.29 6.85 0.00 5.90 3.68 -1.26 -4.85 116.67 125.70 3ddf s ASP 33 Ca 0.62 0.96 0.25 0.00 2.13 0.00 0.00 52.55 56.51 3ddf s ASP 33 Cb -0.29 -2.48 0.63 0.00 -1.45 0.00 0.00 42.92 39.33 3ddf s ASP 33 CO 0.36 -0.70 1.51 1.33 0.13 0.00 0.00 175.17 177.80 3ddf n VAL 34 N 5.57 0.09 -0.07 1.11 0.24 -1.26 -4.42 118.33 119.59 3ddf n VAL 34 Ca 0.08 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3ddf n VAL 34 Cb 0.47 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 3ddf n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3ddf n VAL 35 N 0.76 0.81 0.87 3.34 0.31 -1.26 -4.86 118.33 118.30 3ddf n VAL 35 Ca 0.17 -0.24 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 3ddf n VAL 35 Cb 0.47 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 3ddf n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ddf n GLN 36 N -3.39 1.46 -4.02 5.55 6.02 -1.26 -4.23 117.38 117.52 3ddf n GLN 36 Ca -0.28 -0.98 -0.33 0.00 -0.01 0.00 0.00 57.00 55.40 3ddf n GLN 36 Cb 0.73 -1.39 -0.15 0.00 1.02 0.00 0.00 30.24 30.45 3ddf n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ddf s ASP 37 N -2.18 4.37 -0.18 1.08 1.01 -1.26 -4.93 116.67 114.58 3ddf s ASP 37 Ca 0.17 -1.18 -0.29 0.00 0.71 0.00 0.00 52.55 51.95 3ddf s ASP 37 Cb 0.16 -1.60 -0.00 0.00 1.01 0.00 0.00 42.92 42.48 3ddf s ASP 37 CO 0.48 -0.17 1.13 -0.69 0.21 0.00 0.00 175.17 176.13 3ddf s VAL 38 N 1.20 4.51 0.50 -1.27 1.01 -1.26 -4.73 120.40 120.36 3ddf s VAL 38 Ca -0.05 1.82 -0.23 0.00 0.00 0.00 0.00 61.98 63.52 3ddf s VAL 38 Cb -0.18 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3ddf s VAL 38 CO -0.05 -0.13 1.36 -2.84 0.00 0.00 0.00 175.10 173.43 3ddf s PRO 39 N 3.11 3.41 -0.49 2.72 0.02 -1.26 -4.97 135.00 137.53 3ddf s PRO 39 Ca 0.49 2.24 -0.17 0.00 0.02 0.00 0.00 61.00 63.58 3ddf s PRO 39 Cb -0.18 -2.42 0.07 0.00 0.02 0.00 0.00 34.50 31.98 3ddf s PRO 39 CO 0.12 -0.98 0.50 1.21 -0.33 0.00 0.00 177.00 177.51 3ddf s ASN 40 N -0.85 6.18 0.17 2.53 2.47 -1.26 -5.05 114.94 119.13 3ddf s ASN 40 Ca 0.67 -1.17 0.10 0.00 0.42 0.00 0.00 52.86 52.88 3ddf s ASN 40 Cb -0.40 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.13 3ddf s ASN 40 CO 0.49 -0.76 -0.22 0.68 -3.72 0.00 0.00 177.10 173.57 3ddf s VAL 41 N 2.06 2.11 0.18 -5.21 -7.23 -1.26 -5.05 120.40 106.01 3ddf s VAL 41 Ca 0.09 -1.95 -0.08 0.00 -1.81 0.00 0.00 61.98 58.22 3ddf s VAL 41 Cb -0.22 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.78 3ddf s VAL 41 CO 0.09 -0.18 1.62 0.44 -0.31 0.00 0.00 175.10 176.76 3ddf h ASP 42 N 3.30 1.00 -3.18 4.85 3.32 -1.78 -3.42 116.42 120.51 3ddf h ASP 42 Ca -0.45 -0.32 -0.53 0.00 0.02 0.00 0.00 57.03 55.74 3ddf h ASP 42 Cb 1.20 -0.27 -0.37 0.00 0.22 0.00 0.00 39.33 40.12 3ddf h ASP 42 CO 0.48 1.11 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.61 3ddf s VAL 43 N -4.85 1.08 -0.22 -1.35 1.01 -0.44 -5.00 120.40 110.63 3ddf s VAL 43 Ca -0.11 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3ddf s VAL 43 Cb 0.13 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.45 3ddf s VAL 43 CO 0.86 0.38 -0.12 -1.58 0.00 0.00 0.00 175.10 174.63 3ddf s GLN 44 N 1.64 2.84 0.41 2.72 -0.44 -1.26 -1.34 119.66 124.23 3ddf s GLN 44 Ca 0.04 -0.95 0.11 0.00 -2.50 0.00 0.00 55.36 52.06 3ddf s GLN 44 Cb -0.13 -2.81 0.85 0.00 -1.64 0.00 0.00 33.01 29.29 3ddf s GLN 44 CO -0.08 -0.34 1.94 0.52 0.50 0.00 0.00 175.29 177.84 3ddf h MET 45 N 7.95 0.17 -0.57 1.67 2.86 -1.46 -0.23 114.93 125.32 3ddf h MET 45 Ca -0.36 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.15 3ddf h MET 45 Cb 1.11 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3ddf h MET 45 CO 0.58 0.32 0.01 1.25 1.06 0.00 0.00 176.91 180.13 3ddf h LEU 46 N 0.17 0.97 -0.49 1.22 5.85 -1.93 -1.02 115.31 120.08 3ddf h LEU 46 Ca 0.03 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 3ddf h LEU 46 Cb 0.35 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3ddf h LEU 46 CO 0.02 1.03 0.04 -0.08 -0.34 0.00 0.00 178.44 179.11 3ddf h GLU 47 N 0.88 0.84 -0.46 1.25 4.22 -1.67 -1.91 114.58 117.73 3ddf h GLU 47 Ca 0.16 -0.25 0.04 0.00 0.08 0.00 0.00 59.36 59.39 3ddf h GLU 47 Cb 0.53 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3ddf h GLU 47 CO 0.03 0.86 0.23 1.25 -2.18 0.00 0.00 179.01 179.20 3ddf h LEU 48 N 0.70 0.34 -0.99 1.64 5.85 -0.93 -2.39 115.31 119.53 3ddf h LEU 48 Ca 0.14 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3ddf h LEU 48 Cb 0.46 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3ddf h LEU 48 CO 0.02 0.24 0.65 1.88 -0.34 0.00 0.00 178.44 180.89 3ddf h TYR 49 N 0.47 1.22 -0.34 1.25 -1.99 -0.99 -0.69 116.97 115.90 3ddf h TYR 49 Ca 0.20 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.91 3ddf h TYR 49 Cb 0.10 -0.41 -0.02 0.00 2.00 0.00 0.00 36.73 38.41 3ddf h TYR 49 CO -0.10 0.72 0.01 0.22 -0.00 0.00 0.00 178.16 179.02 3ddf h ASP 50 N 1.28 0.49 0.35 3.88 -0.00 -0.86 -3.25 116.42 118.31 3ddf h ASP 50 Ca 0.38 -0.09 -0.32 0.00 -0.00 0.00 0.00 57.03 57.00 3ddf h ASP 50 Cb -0.04 -0.13 -0.03 0.00 -0.00 0.00 0.00 39.33 39.13 3ddf h ASP 50 CO -0.11 0.55 -1.79 0.03 -0.00 0.00 0.00 179.24 177.93 3ddf h ARG 51 N 0.51 0.15 -7.01 0.28 3.08 -1.02 -3.48 114.38 106.89 3ddf h ARG 51 Ca 0.11 -0.25 -0.52 0.00 0.07 0.00 0.00 59.98 59.39 3ddf h ARG 51 Cb 0.31 0.09 0.09 0.00 0.08 0.00 0.00 29.97 30.54 3ddf h ARG 51 CO 0.01 0.89 0.53 -1.64 -1.07 0.00 0.00 179.97 178.69 3ddf s MET 52 N -2.59 3.57 0.01 0.04 -1.94 -0.32 -4.97 119.30 113.10 3ddf s MET 52 Ca -0.12 1.95 0.22 0.00 -1.71 0.00 0.00 55.69 56.03 3ddf s MET 52 Cb 0.07 -2.38 -0.17 0.00 2.01 0.00 0.00 34.83 34.37 3ddf s MET 52 CO 0.81 -0.76 0.83 -1.13 -0.01 0.00 0.00 175.02 174.76 3ddf n SER 53 N -0.63 0.60 -2.31 3.03 3.41 -1.26 -4.97 113.62 111.49 3ddf n SER 53 Ca 0.08 -0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 58.02 3ddf n SER 53 Cb 0.47 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 3ddf n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ddf n PHE 54 N -1.84 -1.12 -2.47 7.33 3.01 -1.26 -4.94 117.46 116.17 3ddf n PHE 54 Ca 0.01 0.11 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 3ddf n PHE 54 Cb 0.43 -3.83 -0.04 0.00 -0.01 0.00 0.00 39.48 36.03 3ddf n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3ddf s LYS 55 N -5.10 4.60 -1.06 -1.08 -0.14 -1.26 -4.94 119.74 110.75 3ddf s LYS 55 Ca 0.07 1.78 -0.05 0.00 -1.36 0.00 0.00 55.97 56.41 3ddf s LYS 55 Cb -0.03 -3.23 0.29 0.00 -1.68 0.00 0.00 37.83 33.18 3ddf s LYS 55 CO 0.08 0.11 1.28 -3.47 -0.76 0.00 0.00 175.35 172.59 3ddf n ASP 56 N 1.84 5.85 -4.92 2.83 2.03 -1.26 -5.01 116.55 117.91 3ddf n ASP 56 Ca 0.01 -3.26 -0.29 0.00 0.52 0.00 0.00 54.79 51.76 3ddf n ASP 56 Cb 0.45 -1.27 -0.04 0.00 -0.72 0.00 0.00 41.12 39.55 3ddf n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3ddf s ILE 57 N -2.16 5.31 -0.41 5.18 -4.36 -1.26 -5.03 121.20 118.48 3ddf s ILE 57 Ca 0.31 -0.39 -0.28 0.00 -0.26 0.00 0.00 60.65 60.03 3ddf s ILE 57 Cb -0.01 -3.67 -0.00 0.00 1.25 0.00 0.00 42.46 40.03 3ddf s ILE 57 CO 0.02 0.02 1.57 -0.62 0.24 0.00 0.00 174.94 176.18 3ddf s ASP 58 N -2.77 6.10 0.00 4.36 3.68 -1.26 -4.62 116.67 122.16 3ddf s ASP 58 Ca 0.36 0.92 0.30 0.00 2.13 0.00 0.00 52.55 56.26 3ddf s ASP 58 Cb -0.12 -2.53 1.40 0.00 -1.45 0.00 0.00 42.92 40.22 3ddf s ASP 58 CO 0.28 -1.61 1.95 0.61 0.13 0.00 0.00 175.17 176.52 3ddf n GLY 59 N 5.26 -0.53 0.00 2.66 0.00 0.06 -5.02 105.19 107.62 3ddf n GLY 59 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3ddf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddf n GLY 60 N 1.12 0.41 0.33 -0.02 0.00 -1.26 -3.79 105.19 101.99 3ddf n GLY 60 Ca 0.20 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.45 3ddf n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ddf h VAL 61 N 0.00 1.18 -2.01 1.61 -1.51 -1.93 -3.00 116.25 110.59 3ddf h VAL 61 Ca 0.00 -0.37 -0.62 0.00 -1.23 0.00 0.00 66.70 64.48 3ddf h VAL 61 Cb 0.00 0.27 -0.12 0.00 -2.13 0.00 0.00 31.29 29.30 3ddf h VAL 61 CO 0.00 0.18 1.04 0.86 -1.23 0.00 0.00 177.57 178.42 3ddf s TRP 62 N -5.68 2.66 0.45 5.19 -0.00 -1.21 -4.50 118.94 115.85 3ddf s TRP 62 Ca -0.10 -0.77 0.13 0.00 -0.00 0.00 0.00 56.10 55.37 3ddf s TRP 62 Cb 0.17 -4.49 1.00 0.00 -0.00 0.00 0.00 33.47 30.15 3ddf s TRP 62 CO 0.77 -1.79 2.01 0.87 -0.00 0.00 0.00 176.95 178.81 3ddf h LYS 63 N 9.55 0.08 -0.34 5.86 1.79 -1.82 -1.72 116.57 129.97 3ddf h LYS 63 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3ddf h LYS 63 Cb 1.03 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3ddf h LYS 63 CO 1.27 0.20 0.00 1.04 -1.08 0.00 0.00 179.45 180.87 3ddf n GLN 64 N -4.36 3.06 0.00 3.15 6.02 -1.26 -0.76 117.38 123.23 3ddf n GLN 64 Ca -0.02 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 3ddf n GLN 64 Cb 0.21 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.81 3ddf n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddf n GLY 65 N 0.05 2.65 3.68 1.08 0.00 -0.65 -4.65 105.19 107.36 3ddf n GLY 65 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3ddf n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ddf s TRP 66 N 3.69 0.07 -0.61 1.61 -2.14 -1.25 -4.17 118.94 116.13 3ddf s TRP 66 Ca 0.00 -0.47 -0.27 0.00 2.66 0.00 0.00 56.10 58.02 3ddf s TRP 66 Cb 0.00 0.42 0.01 0.00 -3.10 0.00 0.00 33.47 30.80 3ddf s TRP 66 CO 0.00 -1.08 1.48 -0.80 -2.66 0.00 0.00 176.95 173.89 3ddf s ASN 67 N -2.96 5.95 0.18 -2.66 0.01 -1.25 -4.70 114.94 109.51 3ddf s ASN 67 Ca 0.16 0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 52.14 3ddf s ASN 67 Cb -0.03 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.01 3ddf s ASN 67 CO 0.06 -1.88 1.22 -0.63 -1.51 0.00 0.00 177.10 174.36 3ddf s ILE 68 N 6.62 3.54 0.07 0.60 1.01 -1.26 -5.03 121.20 126.75 3ddf s ILE 68 Ca 0.52 1.27 0.08 0.00 0.00 0.00 0.00 60.65 62.51 3ddf s ILE 68 Cb -0.11 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3ddf s ILE 68 CO 0.22 0.19 -0.17 -0.54 0.00 0.00 0.00 174.94 174.64 3ddf s LYS 69 N -0.10 1.98 0.06 2.79 1.02 -1.26 -4.97 119.74 119.26 3ddf s LYS 69 Ca 0.54 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.48 3ddf s LYS 69 Cb -0.33 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 3ddf s LYS 69 CO 0.36 0.52 -0.05 1.52 -0.92 0.00 0.00 175.35 176.78 3ddf s TYR 70 N -1.03 0.61 -0.29 3.18 -0.85 -1.26 -4.99 117.35 112.72 3ddf s TYR 70 Ca 0.16 -0.89 -0.18 0.00 -0.52 0.00 0.00 57.07 55.64 3ddf s TYR 70 Cb -0.11 -0.40 -0.02 0.00 0.38 0.00 0.00 41.96 41.81 3ddf s TYR 70 CO 0.08 -0.25 0.54 0.34 -1.52 0.00 0.00 175.55 174.73 3ddf s ASP 71 N -2.62 6.42 0.58 -0.18 -1.08 -1.26 -4.94 116.67 113.59 3ddf s ASP 71 Ca 0.04 0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.72 3ddf s ASP 71 Cb 0.03 -2.29 1.65 0.00 -1.46 0.00 0.00 42.92 40.85 3ddf s ASP 71 CO -0.06 -0.37 2.15 -0.65 0.52 0.00 0.00 175.17 176.76 3ddf h PRO 72 N 8.15 0.00 -0.02 4.34 0.11 -2.00 -1.25 132.00 141.34 3ddf h PRO 72 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ddf h PRO 72 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ddf h PRO 72 CO 0.75 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.82 3ddf n LEU 73 N -3.94 0.37 -0.16 2.35 4.77 -1.26 -3.84 117.00 115.30 3ddf n LEU 73 Ca 0.00 -0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 55.79 3ddf n LEU 73 Cb 0.24 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 41.44 3ddf n LEU 73 CO 0.29 0.07 0.90 0.50 -1.33 0.00 0.00 177.39 177.81 3ddf h LYS 74 N 0.53 0.91 -5.85 3.23 3.64 -1.63 -3.41 116.57 113.99 3ddf h LYS 74 Ca 0.00 -0.24 -0.67 0.00 -1.27 0.00 0.00 60.65 58.47 3ddf h LYS 74 Cb 0.11 -0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 3ddf h LYS 74 CO 0.00 0.87 -0.56 0.71 -2.27 0.00 0.00 179.45 178.20 3ddf s TYR 75 N -5.08 3.34 0.17 1.91 1.51 -1.25 -4.93 117.35 113.03 3ddf s TYR 75 Ca -0.10 0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.25 3ddf s TYR 75 Cb 0.15 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 3ddf s TYR 75 CO 0.82 0.58 0.29 0.27 -1.11 0.00 0.00 175.55 176.41 3ddf n ASN 76 N 1.99 -0.83 0.20 2.29 0.23 -0.19 -4.90 115.26 114.05 3ddf n ASN 76 Ca -0.19 -1.83 0.15 0.00 -0.53 0.00 0.00 54.58 52.18 3ddf n ASN 76 Cb 0.54 1.46 0.77 0.00 -2.08 0.00 0.00 39.78 40.47 3ddf n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ddf h ALA 77 N 1.84 1.94 -0.09 -2.53 0.00 -1.95 -0.91 119.26 117.56 3ddf h ALA 77 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ddf h ALA 77 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ddf h ALA 77 CO 0.19 -0.24 0.00 0.72 0.00 0.00 0.00 179.25 179.91 3ddf n HIS 78 N -4.10 0.08 -3.06 0.00 8.25 -1.26 -4.67 115.22 110.47 3ddf n HIS 78 Ca 0.01 -0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 3ddf n HIS 78 Cb 0.28 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 3ddf n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ddf s HIS 79 N -1.92 -1.37 0.29 4.41 5.04 -0.35 -5.15 115.29 116.25 3ddf s HIS 79 Ca 0.31 -0.33 -0.02 0.00 -1.54 0.00 0.00 55.06 53.48 3ddf s HIS 79 Cb 0.21 0.17 -0.04 0.00 0.04 0.00 0.00 32.58 32.95 3ddf s HIS 79 CO 0.31 -1.18 0.52 0.15 -2.34 0.00 0.00 174.74 172.20 3ddf s LYS 80 N 1.32 3.56 -0.24 2.88 1.02 -1.22 -1.02 119.74 126.05 3ddf s LYS 80 Ca 0.22 -0.17 -0.21 0.00 0.02 0.00 0.00 55.97 55.83 3ddf s LYS 80 Cb -0.03 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3ddf s LYS 80 CO -0.06 0.23 0.66 -1.17 -0.92 0.00 0.00 175.35 174.09 3ddf s LEU 81 N -3.73 4.09 -0.27 3.17 2.96 0.01 -4.87 118.68 120.04 3ddf s LEU 81 Ca 0.41 0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 54.98 3ddf s LEU 81 Cb -0.10 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 3ddf s LEU 81 CO 0.32 -0.37 0.31 -0.75 -1.32 0.00 0.00 176.35 174.54 3ddf s LYS 82 N 2.41 4.01 -0.18 1.98 2.47 0.23 -1.15 119.74 129.50 3ddf s LYS 82 Ca 0.28 -0.06 -0.01 0.00 -1.56 0.00 0.00 55.97 54.62 3ddf s LYS 82 Cb -0.16 -3.65 -0.00 0.00 -1.46 0.00 0.00 37.83 32.57 3ddf s LYS 82 CO 0.09 -0.22 -0.11 0.08 0.16 0.00 0.00 175.35 175.34 3ddf s VAL 83 N 1.90 2.93 -0.32 4.02 1.01 -0.25 -0.32 120.40 129.36 3ddf s VAL 83 Ca 0.13 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3ddf s VAL 83 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.97 3ddf s VAL 83 CO 0.10 0.48 0.11 -0.36 0.00 0.00 0.00 175.10 175.43 3ddf s PHE 84 N 1.05 3.20 -0.33 5.22 0.40 -0.12 -1.56 117.98 125.85 3ddf s PHE 84 Ca -0.00 -1.12 -0.19 0.00 -0.60 0.00 0.00 56.93 55.02 3ddf s PHE 84 Cb -0.15 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 3ddf s PHE 84 CO -0.02 -0.64 0.54 0.08 0.70 0.00 0.00 175.22 175.88 3ddf s VAL 85 N 1.48 5.00 -0.44 -0.44 1.01 -0.17 -0.63 120.40 126.21 3ddf s VAL 85 Ca 0.01 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3ddf s VAL 85 Cb -0.18 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.36 3ddf s VAL 85 CO 0.03 -0.17 0.26 -0.69 0.00 0.00 0.00 175.10 174.53 3ddf s VAL 86 N 2.45 3.56 0.30 2.92 1.01 0.04 -0.85 120.40 129.83 3ddf s VAL 86 Ca 0.21 -2.04 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 3ddf s VAL 86 Cb -0.15 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 3ddf s VAL 86 CO 0.13 -0.73 1.32 -2.84 0.00 0.00 0.00 175.10 172.98 3ddf s PRO 87 N 1.12 4.36 0.18 2.72 0.02 -1.26 -0.82 135.00 141.32 3ddf s PRO 87 Ca 0.08 2.19 -0.14 0.00 0.02 0.00 0.00 61.00 63.15 3ddf s PRO 87 Cb -0.23 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3ddf s PRO 87 CO -0.03 -0.21 0.42 -3.38 -0.33 0.00 0.00 177.00 173.47 3ddf s HIS 88 N -0.81 0.09 -0.15 6.54 -3.43 -0.63 -2.04 115.29 114.86 3ddf s HIS 88 Ca 0.51 -0.45 -0.04 0.00 -0.80 0.00 0.00 55.06 54.29 3ddf s HIS 88 Cb -0.39 0.21 0.07 0.00 -1.43 0.00 0.00 32.58 31.03 3ddf s HIS 88 CO 0.49 -0.84 0.17 0.45 -2.00 0.00 0.00 174.74 173.01 3ddf s SER 89 N -2.91 1.31 -0.36 7.38 0.15 -1.26 -3.81 113.70 114.19 3ddf s SER 89 Ca 0.12 -0.07 -0.25 0.00 0.70 0.00 0.00 55.95 56.45 3ddf s SER 89 Cb 0.01 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 3ddf s SER 89 CO -0.02 -0.30 0.88 -2.28 1.20 0.00 0.00 173.24 172.73 3ddf s HIS 90 N 2.28 3.10 -0.42 3.44 2.46 -0.33 -4.76 115.29 121.05 3ddf s HIS 90 Ca 0.04 0.73 -0.01 0.00 0.47 0.00 0.00 55.06 56.30 3ddf s HIS 90 Cb -0.14 -3.55 0.11 0.00 -0.13 0.00 0.00 32.58 28.87 3ddf s HIS 90 CO -0.09 -0.78 0.20 -0.80 -2.47 0.00 0.00 174.74 170.80 3ddf s ASN 91 N 1.84 5.06 -0.07 9.88 -0.87 -1.26 -0.55 114.94 128.97 3ddf s ASN 91 Ca 0.36 -2.23 -0.30 0.00 -1.57 0.00 0.00 52.86 49.12 3ddf s ASN 91 Cb -0.12 -1.77 -0.04 0.00 -0.02 0.00 0.00 41.25 39.29 3ddf s ASN 91 CO 0.18 -0.46 1.50 -1.81 -2.57 0.00 0.00 177.10 173.94 3ddf s ASP 92 N 1.30 6.77 -1.17 -1.22 1.01 -1.26 -4.88 116.67 117.22 3ddf s ASP 92 Ca 0.11 2.08 -0.13 0.00 0.71 0.00 0.00 52.55 55.31 3ddf s ASP 92 Cb -0.22 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.11 3ddf s ASP 92 CO -0.05 -0.84 2.28 -2.65 0.21 0.00 0.00 175.17 174.12 3ddf n PRO 93 N 6.62 2.48 0.00 8.23 -0.02 -1.26 -4.62 135.00 146.43 3ddf n PRO 93 Ca 0.16 -2.02 0.00 0.00 -2.02 0.00 0.00 63.50 59.61 3ddf n PRO 93 Cb 0.43 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3ddf n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ddf n GLY 94 N 4.02 2.22 0.00 -1.23 0.00 -1.26 -4.52 105.19 104.43 3ddf n GLY 94 Ca 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3ddf n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3ddf n TRP 95 N 2.02 0.00 1.04 1.61 -0.00 -1.26 -4.65 117.44 116.20 3ddf n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 3ddf n TRP 95 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.37 3ddf n TRP 95 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 3ddf n ILE 96 N -0.35 0.00 -4.27 5.87 -5.35 -1.26 -1.31 119.36 112.69 3ddf n ILE 96 Ca 0.00 -0.16 -0.16 0.00 -0.27 0.00 0.00 62.75 62.16 3ddf n ILE 96 Cb 0.00 0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 38.77 3ddf n ILE 96 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ddf s GLN 97 N -2.64 1.11 0.90 6.28 -1.52 -1.26 -4.87 119.66 117.66 3ddf s GLN 97 Ca 0.17 -1.41 -0.12 0.00 -1.95 0.00 0.00 55.36 52.05 3ddf s GLN 97 Cb 0.18 -0.82 0.13 0.00 -0.22 0.00 0.00 33.01 32.27 3ddf s GLN 97 CO 0.64 0.13 1.09 0.95 -0.25 0.00 0.00 175.29 177.86 3ddf s THR 98 N -2.86 2.60 0.19 -0.19 -4.23 -1.26 -4.15 115.64 105.74 3ddf s THR 98 Ca 0.15 0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.67 3ddf s THR 98 Cb -0.01 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.26 3ddf s THR 98 CO 0.03 -0.26 1.60 0.15 -0.54 0.00 0.00 174.62 175.60 3ddf h PHE 99 N -1.53 -0.78 -0.19 3.99 3.57 -1.90 -0.43 116.94 119.67 3ddf h PHE 99 Ca -0.50 0.07 -0.15 0.00 3.53 0.00 0.00 57.97 60.91 3ddf h PHE 99 Cb 1.29 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 3ddf h PHE 99 CO 0.41 -0.36 -0.52 1.49 -2.23 0.00 0.00 178.31 177.09 3ddf h GLU 100 N -0.13 0.53 -0.18 1.11 4.57 -1.96 -0.49 114.58 118.02 3ddf h GLU 100 Ca 0.25 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3ddf h GLU 100 Cb 0.53 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3ddf h GLU 100 CO -0.66 0.92 0.10 0.93 -1.18 0.00 0.00 179.01 179.12 3ddf h GLU 101 N 0.41 0.25 -0.74 1.92 5.08 -1.81 -0.90 114.58 118.79 3ddf h GLU 101 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3ddf h GLU 101 Cb 1.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3ddf h GLU 101 CO 0.10 0.26 0.30 1.88 -1.00 0.00 0.00 179.01 180.55 3ddf h TYR 102 N 0.18 1.11 -0.20 4.33 0.05 -0.99 -0.52 116.97 120.94 3ddf h TYR 102 Ca 0.06 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.80 3ddf h TYR 102 Cb 0.08 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 3ddf h TYR 102 CO -0.04 0.84 -0.01 -0.92 -1.05 0.00 0.00 178.16 176.98 3ddf h TYR 103 N 1.08 -0.04 -0.31 4.88 3.20 -0.77 0.12 116.97 125.12 3ddf h TYR 103 Ca 0.25 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.98 3ddf h TYR 103 Cb 0.19 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3ddf h TYR 103 CO 0.02 -0.05 -0.41 1.96 -1.64 0.00 0.00 178.16 178.04 3ddf h GLN 104 N 0.04 0.77 0.00 1.82 1.08 -0.90 -0.69 115.11 117.24 3ddf h GLN 104 Ca 0.09 -0.41 -0.22 0.00 -1.45 0.00 0.00 58.65 56.66 3ddf h GLN 104 Cb 0.13 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 3ddf h GLN 104 CO -0.17 1.04 -1.36 0.45 -0.95 0.00 0.00 178.83 177.84 3ddf h HIS 105 N 0.63 0.00 0.00 2.96 3.86 -0.98 -3.45 115.15 118.17 3ddf h HIS 105 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3ddf h HIS 105 Cb 0.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 3ddf h HIS 105 CO 0.05 0.82 0.00 -0.25 0.86 0.00 0.00 177.93 179.41 3ddf n ASP 106 N -3.07 0.23 -0.07 2.45 8.00 0.25 -4.88 116.55 119.47 3ddf n ASP 106 Ca -0.10 0.23 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 3ddf n ASP 106 Cb 0.93 0.07 0.17 0.00 -0.02 0.00 0.00 41.12 42.27 3ddf n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ddf h THR 107 N 0.00 1.25 -0.05 -3.53 2.02 -1.09 -1.45 112.91 110.06 3ddf h THR 107 Ca 0.00 -1.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.01 3ddf h THR 107 Cb 0.00 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3ddf h THR 107 CO 0.00 0.37 -0.29 0.07 0.37 0.00 0.00 175.52 176.05 3ddf h LYS 108 N 0.64 0.09 -0.10 6.66 2.10 -1.35 -0.81 116.57 123.80 3ddf h LYS 108 Ca 0.11 -0.03 -0.24 0.00 -2.00 0.00 0.00 60.65 58.49 3ddf h LYS 108 Cb 0.54 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.88 3ddf h LYS 108 CO 0.03 0.37 -0.88 0.45 -2.00 0.00 0.00 179.45 177.43 3ddf h HIS 109 N 0.08 1.07 -0.26 0.07 3.86 -1.60 -1.69 115.15 116.68 3ddf h HIS 109 Ca 0.01 -0.51 0.03 0.00 -1.16 0.00 0.00 60.37 58.74 3ddf h HIS 109 Cb 0.55 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3ddf h HIS 109 CO 0.00 1.35 0.09 0.82 0.86 0.00 0.00 177.93 181.05 3ddf h ILE 110 N 0.49 0.93 -0.16 2.45 2.04 -0.86 -0.57 117.51 121.83 3ddf h ILE 110 Ca -0.08 -0.07 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 3ddf h ILE 110 Cb 1.52 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3ddf h ILE 110 CO 0.18 0.04 -0.64 -0.07 0.00 0.00 0.00 178.15 177.65 3ddf h LEU 111 N 0.21 0.68 -0.34 1.44 3.38 -1.18 0.91 115.31 120.40 3ddf h LEU 111 Ca 0.12 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ddf h LEU 111 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ddf h LEU 111 CO -0.12 1.15 0.19 0.28 0.09 0.00 0.00 178.44 180.03 3ddf h SER 112 N 0.43 0.30 0.79 -0.43 0.02 -1.18 -1.22 113.55 112.27 3ddf h SER 112 Ca -0.01 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3ddf h SER 112 Cb 1.22 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3ddf h SER 112 CO 0.12 0.22 -0.84 0.78 -1.14 0.00 0.00 176.83 175.98 3ddf h ASN 113 N 0.39 0.04 -0.56 3.07 2.35 -1.03 -2.28 115.58 117.57 3ddf h ASN 113 Ca 0.14 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3ddf h ASN 113 Cb 0.02 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3ddf h ASN 113 CO -0.07 0.86 0.29 0.00 -1.65 0.00 0.00 177.43 176.85 3ddf h ALA 114 N 1.14 0.72 -0.31 -0.83 0.00 -0.65 0.92 119.26 120.24 3ddf h ALA 114 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ddf h ALA 114 Cb 1.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ddf h ALA 114 CO 0.11 0.26 0.18 1.25 0.00 0.00 0.00 179.25 181.05 3ddf h LEU 115 N 0.75 0.29 -0.13 0.00 5.85 -1.04 0.08 115.31 121.11 3ddf h LEU 115 Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3ddf h LEU 115 Cb 0.08 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3ddf h LEU 115 CO -0.03 0.21 0.03 -0.09 -0.34 0.00 0.00 178.44 178.23 3ddf h ARG 116 N 0.37 0.20 -0.14 1.25 2.43 -1.21 -1.17 114.38 116.10 3ddf h ARG 116 Ca 0.12 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 3ddf h ARG 116 Cb 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3ddf h ARG 116 CO -0.06 0.35 -0.63 1.25 -1.51 0.00 0.00 179.97 179.38 3ddf h HIS 117 N 0.01 0.66 -0.26 2.20 2.76 -0.62 -1.64 115.15 118.25 3ddf h HIS 117 Ca 0.04 -0.26 -0.10 0.00 -2.20 0.00 0.00 60.37 57.85 3ddf h HIS 117 Cb 0.24 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 3ddf h HIS 117 CO 0.00 1.00 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.34 3ddf h LEU 118 N 0.37 0.66 -0.59 0.26 3.38 -1.01 -1.79 115.31 116.59 3ddf h LEU 118 Ca -0.01 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.60 3ddf h LEU 118 Cb 1.18 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 3ddf h LEU 118 CO 0.11 0.98 0.18 -0.74 0.09 0.00 0.00 178.44 179.06 3ddf h HIS 119 N 0.35 0.30 0.00 1.13 2.76 -1.02 -2.77 115.15 115.89 3ddf h HIS 119 Ca 0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3ddf h HIS 119 Cb 0.78 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.70 3ddf h HIS 119 CO 0.07 0.04 -0.24 -0.25 -1.30 0.00 0.00 177.93 176.25 3ddf n ASP 120 N -5.06 0.49 -3.68 3.26 8.00 -0.63 -4.52 116.55 114.41 3ddf n ASP 120 Ca 0.08 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.59 3ddf n ASP 120 Cb 0.29 -0.29 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 3ddf n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ddf s ASN 121 N -3.73 3.41 0.63 -2.24 -0.87 -0.68 -5.02 114.94 106.44 3ddf s ASN 121 Ca 0.11 -2.95 0.36 0.00 -1.57 0.00 0.00 52.86 48.80 3ddf s ASN 121 Cb 0.15 -1.02 2.05 0.00 -0.02 0.00 0.00 41.25 42.42 3ddf s ASN 121 CO 0.63 -0.21 2.28 -0.65 -2.57 0.00 0.00 177.10 176.57 3ddf h PRO 122 N 6.25 0.00 -0.00 -0.60 0.11 -1.79 -1.41 132.00 134.55 3ddf h PRO 122 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3ddf h PRO 122 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3ddf h PRO 122 CO 0.50 0.00 -0.44 0.39 -0.21 0.00 0.00 178.00 178.24 3ddf n GLU 123 N -3.49 0.25 -2.43 1.05 -0.58 -1.26 -4.90 120.64 109.28 3ddf n GLU 123 Ca -0.03 -0.15 -0.35 0.00 -0.42 0.00 0.00 57.16 56.21 3ddf n GLU 123 Cb 0.11 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.46 3ddf n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3ddf s MET 124 N -2.85 3.73 0.14 3.49 1.75 -0.53 -4.69 119.30 120.34 3ddf s MET 124 Ca 0.15 1.50 0.04 0.00 -1.25 0.00 0.00 55.69 56.12 3ddf s MET 124 Cb 0.18 -2.17 -0.04 0.00 2.84 0.00 0.00 34.83 35.64 3ddf s MET 124 CO 0.65 -0.52 -0.08 0.15 -0.65 0.00 0.00 175.02 174.57 3ddf s LYS 125 N -3.08 1.03 -0.26 4.11 -0.14 -1.26 -4.80 119.74 115.34 3ddf s LYS 125 Ca 0.67 -1.44 -0.25 0.00 -1.36 0.00 0.00 55.97 53.58 3ddf s LYS 125 Cb -0.21 -0.51 0.08 0.00 -1.68 0.00 0.00 37.83 35.51 3ddf s LYS 125 CO 0.24 0.03 0.77 0.12 -0.76 0.00 0.00 175.35 175.75 3ddf s PHE 126 N -3.41 -0.74 0.11 3.18 5.36 -0.38 -4.38 117.98 117.72 3ddf s PHE 126 Ca 0.17 1.78 0.06 0.00 -0.96 0.00 0.00 56.93 57.98 3ddf s PHE 126 Cb 0.04 0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.96 3ddf s PHE 126 CO 0.00 -0.36 -0.04 0.96 -1.46 0.00 0.00 175.22 174.32 3ddf s ILE 127 N 0.30 3.72 -0.03 3.12 -4.36 -0.87 -1.32 121.20 121.76 3ddf s ILE 127 Ca 0.00 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 3ddf s ILE 127 Cb -0.05 -2.78 0.02 0.00 1.25 0.00 0.00 42.46 40.90 3ddf s ILE 127 CO 0.00 0.07 -0.03 0.86 0.24 0.00 0.00 174.94 176.09 3ddf s TRP 128 N -1.35 0.54 -0.17 1.37 -0.11 -0.26 -4.35 118.94 114.60 3ddf s TRP 128 Ca 0.24 -0.11 -0.01 0.00 1.22 0.00 0.00 56.10 57.45 3ddf s TRP 128 Cb -0.11 -0.51 -0.10 0.00 -1.50 0.00 0.00 33.47 31.24 3ddf s TRP 128 CO 0.17 -0.14 -0.16 0.00 -4.62 0.00 0.00 176.95 172.19 3ddf n ALA 129 N 3.92 1.67 -3.03 5.86 0.00 -1.26 -1.00 120.51 126.68 3ddf n ALA 129 Ca -0.25 -0.72 -0.45 0.00 0.00 0.00 0.00 53.44 52.03 3ddf n ALA 129 Cb 0.52 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 3ddf n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ddf s GLU 130 N -2.34 3.02 0.41 0.00 8.01 -1.26 -4.03 118.70 122.51 3ddf s GLU 130 Ca -0.23 -1.38 0.22 0.00 0.01 0.00 0.00 54.97 53.59 3ddf s GLU 130 Cb 0.07 -4.20 0.73 0.00 -4.31 0.00 0.00 34.13 26.41 3ddf s GLU 130 CO 0.38 -1.24 1.74 0.82 0.01 0.00 0.00 175.26 176.97 3ddf h ILE 131 N 5.84 0.58 -0.57 -1.63 1.08 -1.15 -2.77 117.51 118.90 3ddf h ILE 131 Ca -0.29 -1.32 0.11 0.00 -0.39 0.00 0.00 64.86 62.97 3ddf h ILE 131 Cb 1.10 1.90 -0.09 0.00 -3.07 0.00 0.00 36.82 36.67 3ddf h ILE 131 CO 0.98 0.26 0.07 0.77 -0.69 0.00 0.00 178.15 179.55 3ddf h SER 132 N 0.00 -0.09 -0.25 1.72 4.64 -1.40 0.15 113.55 118.32 3ddf h SER 132 Ca -0.00 0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 3ddf h SER 132 Cb 0.88 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ddf h SER 132 CO 0.03 -0.03 -0.19 1.88 -0.87 0.00 0.00 176.83 177.65 3ddf h TYR 133 N 0.20 0.67 -0.64 4.77 0.99 -1.77 -2.60 116.97 118.59 3ddf h TYR 133 Ca 0.30 -0.19 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3ddf h TYR 133 Cb 0.45 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 38.00 3ddf h TYR 133 CO -0.28 0.87 0.31 0.35 -0.00 0.00 0.00 178.16 179.41 3ddf h PHE 134 N 0.28 0.91 -0.73 4.88 3.57 -1.12 -1.44 116.94 123.30 3ddf h PHE 134 Ca 0.05 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3ddf h PHE 134 Cb 0.73 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3ddf h PHE 134 CO 0.07 0.68 0.32 0.00 -2.23 0.00 0.00 178.31 177.15 3ddf h ALA 135 N 1.14 0.94 -0.60 2.41 0.00 -0.78 0.73 119.26 123.10 3ddf h ALA 135 Ca 0.22 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ddf h ALA 135 Cb 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3ddf h ALA 135 CO -0.03 0.54 0.32 -0.09 0.00 0.00 0.00 179.25 179.99 3ddf h ARG 136 N 1.03 0.58 0.07 0.00 9.65 -1.15 -2.11 114.38 122.46 3ddf h ARG 136 Ca 0.25 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3ddf h ARG 136 Cb 0.17 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3ddf h ARG 136 CO -0.02 0.39 -0.04 0.35 2.80 0.00 0.00 179.97 183.45 3ddf h PHE 137 N 0.60 -0.09 -0.72 2.20 3.57 -0.93 -3.28 116.94 118.30 3ddf h PHE 137 Ca 0.27 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3ddf h PHE 137 Cb 0.17 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3ddf h PHE 137 CO -0.09 0.33 0.28 -0.92 -2.23 0.00 0.00 178.31 175.68 3ddf h TYR 138 N -0.54 1.08 0.00 0.41 3.20 -0.73 -1.39 116.97 118.99 3ddf h TYR 138 Ca -0.01 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 3ddf h TYR 138 Cb 0.46 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3ddf h TYR 138 CO 0.07 0.82 -0.10 0.45 -1.64 0.00 0.00 178.16 177.76 3ddf h HIS 139 N 1.04 0.00 -0.01 -3.82 3.86 -1.47 -2.16 115.15 112.60 3ddf h HIS 139 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3ddf h HIS 139 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3ddf h HIS 139 CO 0.02 0.10 -0.28 -0.25 0.86 0.00 0.00 177.93 178.38 3ddf n ASP 140 N -3.37 0.84 -4.76 2.45 9.92 -0.54 -4.91 116.55 116.17 3ddf n ASP 140 Ca -0.01 -0.70 -0.40 0.00 -0.53 0.00 0.00 54.79 53.15 3ddf n ASP 140 Cb 0.29 0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 3ddf n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ddf s LEU 141 N -2.60 4.47 0.87 0.64 1.43 -0.81 -5.04 118.68 117.63 3ddf s LEU 141 Ca 0.22 2.23 -0.10 0.00 -1.03 0.00 0.00 54.13 55.45 3ddf s LEU 141 Cb 0.19 -3.74 0.12 0.00 0.03 0.00 0.00 46.19 42.79 3ddf s LEU 141 CO 0.55 -0.22 1.13 -0.83 0.23 0.00 0.00 176.35 177.20 3ddf s GLY 142 N -1.01 1.68 0.31 -3.19 0.00 -1.26 -4.74 107.32 99.12 3ddf s GLY 142 Ca 0.47 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.65 3ddf s GLY 142 CO 0.39 0.86 1.98 -2.09 0.00 0.00 0.00 173.10 174.23 3ddf h GLU 143 N -1.63 1.00 -0.47 2.90 4.57 -1.97 -0.25 114.58 118.72 3ddf h GLU 143 Ca -0.44 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3ddf h GLU 143 Cb 1.26 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3ddf h GLU 143 CO 0.45 0.67 0.30 -0.97 -1.18 0.00 0.00 179.01 178.28 3ddf h ASN 144 N 1.02 0.56 -0.03 1.04 -0.73 -2.00 -1.44 115.58 114.00 3ddf h ASN 144 Ca 0.27 -0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.28 3ddf h ASN 144 Cb -0.10 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.34 3ddf h ASN 144 CO -0.06 0.43 -0.41 0.11 -0.37 0.00 0.00 177.43 177.14 3ddf h LYS 145 N 0.64 0.55 -0.68 6.67 1.79 -1.82 -1.68 116.57 122.03 3ddf h LYS 145 Ca 0.17 -0.28 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3ddf h LYS 145 Cb -0.04 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 3ddf h LYS 145 CO -0.03 0.86 0.42 0.87 -1.08 0.00 0.00 179.45 180.48 3ddf h LYS 146 N 0.45 0.78 -0.68 3.15 1.57 -0.64 0.23 116.57 121.43 3ddf h LYS 146 Ca 0.04 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3ddf h LYS 146 Cb 0.90 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3ddf h LYS 146 CO 0.08 0.52 0.21 -0.07 -0.57 0.00 0.00 179.45 179.62 3ddf h LEU 147 N 0.81 1.00 -0.81 2.94 3.38 -1.02 -0.53 115.31 121.08 3ddf h LEU 147 Ca 0.28 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ddf h LEU 147 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3ddf h LEU 147 CO -0.12 0.94 0.25 1.56 0.09 0.00 0.00 178.44 181.16 3ddf h GLN 148 N 1.00 1.14 -0.28 1.13 4.20 -0.84 -1.82 115.11 119.64 3ddf h GLN 148 Ca 0.22 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3ddf h GLN 148 Cb 0.30 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3ddf h GLN 148 CO -0.01 0.95 0.06 1.98 -0.67 0.00 0.00 178.83 181.14 3ddf h MET 149 N 1.10 0.46 -0.75 1.46 4.05 -0.67 -2.34 114.93 118.24 3ddf h MET 149 Ca 0.24 -0.12 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 3ddf h MET 149 Cb 0.27 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 3ddf h MET 149 CO -0.01 0.56 0.49 0.87 0.23 0.00 0.00 176.91 179.05 3ddf h LYS 150 N 0.28 0.79 -0.40 0.39 1.57 -0.83 -2.24 116.57 116.14 3ddf h LYS 150 Ca 0.09 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 3ddf h LYS 150 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ddf h LYS 150 CO 0.00 0.53 -0.37 1.03 -0.57 0.00 0.00 179.45 180.07 3ddf h SER 151 N 0.82 1.01 1.29 0.86 0.87 -0.98 0.46 113.55 117.88 3ddf h SER 151 Ca 0.32 -0.46 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 3ddf h SER 151 Cb 0.21 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3ddf h SER 151 CO -0.10 1.26 -0.08 0.16 -0.53 0.00 0.00 176.83 177.53 3ddf h ILE 152 N 0.78 0.18 0.01 2.23 3.07 -1.09 -1.27 117.51 121.42 3ddf h ILE 152 Ca 0.07 -0.88 -0.08 0.00 1.55 0.00 0.00 64.86 65.52 3ddf h ILE 152 Cb 0.96 1.75 0.01 0.00 -0.27 0.00 0.00 36.82 39.27 3ddf h ILE 152 CO 0.09 0.08 -0.31 0.58 -1.05 0.00 0.00 178.15 177.54 3ddf h VAL 153 N 0.00 1.56 -0.37 0.16 2.07 -1.23 -0.99 116.25 117.46 3ddf h VAL 153 Ca -0.00 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.42 3ddf h VAL 153 Cb 0.75 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 3ddf h VAL 153 CO 0.01 0.56 0.04 0.50 0.02 0.00 0.00 177.57 178.71 3ddf h LYS 154 N -0.51 0.56 -0.63 1.57 3.64 -0.68 -1.99 116.57 118.53 3ddf h LYS 154 Ca -0.04 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3ddf h LYS 154 Cb 1.09 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3ddf h LYS 154 CO 0.06 0.55 0.00 0.09 -2.27 0.00 0.00 179.45 177.88 3ddf n ASN 155 N -4.30 3.96 0.00 4.20 3.02 -0.50 -4.95 115.26 116.69 3ddf n ASN 155 Ca 0.02 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 3ddf n ASN 155 Cb 0.22 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3ddf n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ddf n GLY 156 N 1.05 0.76 0.14 7.41 0.00 -0.75 -4.95 105.19 108.86 3ddf n GLY 156 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3ddf n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ddf h GLN 157 N 3.29 0.44 -4.89 1.61 4.20 -1.45 -3.42 115.11 114.89 3ddf h GLN 157 Ca 0.00 -0.61 -0.65 0.00 0.06 0.00 0.00 58.65 57.45 3ddf h GLN 157 Cb 0.00 0.21 -0.19 0.00 0.30 0.00 0.00 27.48 27.80 3ddf h GLN 157 CO 0.00 1.26 -0.54 -1.17 -0.67 0.00 0.00 178.83 177.70 3ddf s LEU 158 N -8.00 3.92 -0.10 1.46 2.96 -0.71 -1.25 118.68 116.96 3ddf s LEU 158 Ca -0.12 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3ddf s LEU 158 Cb 0.03 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3ddf s LEU 158 CO 0.87 -0.07 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.94 3ddf s GLU 159 N 1.71 2.52 0.14 1.98 2.12 -0.43 -4.28 118.70 122.46 3ddf s GLU 159 Ca 0.07 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 3ddf s GLU 159 Cb -0.16 -2.02 -0.06 0.00 0.26 0.00 0.00 34.13 32.15 3ddf s GLU 159 CO 0.09 0.04 0.98 -0.06 -0.54 0.00 0.00 175.26 175.77 3ddf s PHE 160 N 0.68 3.80 -0.12 5.30 0.40 -1.26 -1.10 117.98 125.68 3ddf s PHE 160 Ca -0.12 1.79 0.03 0.00 -0.60 0.00 0.00 56.93 58.02 3ddf s PHE 160 Cb -0.16 -3.08 -0.00 0.00 0.51 0.00 0.00 43.02 40.29 3ddf s PHE 160 CO 0.03 0.12 -0.21 0.14 0.70 0.00 0.00 175.22 176.00 3ddf s VAL 161 N -0.19 2.30 0.00 -0.44 -7.23 -0.17 -4.69 120.40 109.97 3ddf s VAL 161 Ca 0.47 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 3ddf s VAL 161 Cb -0.25 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3ddf s VAL 161 CO 0.31 0.55 0.00 0.41 -0.31 0.00 0.00 175.10 176.06 3ddf n THR 162 N 3.67 0.00 -0.95 5.32 -1.04 -0.09 -4.24 114.28 116.95 3ddf n THR 162 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3ddf n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3ddf n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ddf n GLY 163 N 0.00 0.43 3.81 3.41 0.00 -1.26 -4.64 105.19 106.94 3ddf n GLY 163 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3ddf n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ddf s GLY 164 N -2.79 1.64 0.32 -0.02 0.00 -1.26 -1.91 107.32 103.31 3ddf s GLY 164 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.64 3ddf s GLY 164 CO 0.00 0.27 1.89 -0.25 0.00 0.00 0.00 173.10 175.01 3ddf h TRP 165 N -0.99 0.95 -4.49 1.90 2.91 -1.46 -1.47 115.95 113.30 3ddf h TRP 165 Ca -0.46 0.03 -0.43 0.00 1.13 0.00 0.00 58.89 59.15 3ddf h TRP 165 Cb 1.25 -0.31 -0.11 0.00 -0.51 0.00 0.00 29.16 29.49 3ddf h TRP 165 CO 0.50 0.43 -0.39 1.33 -1.03 0.00 0.00 178.44 179.28 3ddf n VAL 166 N -4.53 0.00 -3.48 2.65 0.24 -1.26 -1.28 118.33 110.66 3ddf n VAL 166 Ca 0.15 -2.02 -0.43 0.00 -2.04 0.00 0.00 64.34 60.01 3ddf n VAL 166 Cb 0.32 0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 33.50 3ddf n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3ddf s MET 167 N -3.22 2.77 0.57 7.34 1.75 -1.26 -4.88 119.30 122.37 3ddf s MET 167 Ca 0.26 -1.94 -0.16 0.00 -1.25 0.00 0.00 55.69 52.60 3ddf s MET 167 Cb 0.01 -4.07 -0.05 0.00 2.84 0.00 0.00 34.83 33.57 3ddf s MET 167 CO 0.18 -1.24 1.04 -1.25 -0.65 0.00 0.00 175.02 173.11 3ddf s PRO 168 N 1.09 3.46 0.42 4.11 0.04 -1.26 -3.07 135.00 139.79 3ddf s PRO 168 Ca 0.08 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 3ddf s PRO 168 Cb -0.24 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 3ddf s PRO 168 CO -0.01 -0.70 0.90 -3.47 0.04 0.00 0.00 177.00 173.76 3ddf n ASP 169 N -1.88 0.72 -0.13 6.66 2.03 -0.03 -4.65 116.55 119.26 3ddf n ASP 169 Ca 0.08 1.00 0.05 0.00 0.52 0.00 0.00 54.79 56.45 3ddf n ASP 169 Cb 0.53 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 3ddf n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ddf n GLU 170 N 0.21 2.73 -0.11 -0.67 1.02 -1.26 -4.43 120.64 118.14 3ddf n GLU 170 Ca 0.10 -0.34 -0.22 0.00 -0.02 0.00 0.00 57.16 56.68 3ddf n GLU 170 Cb 0.39 -1.06 -0.11 0.00 -0.02 0.00 0.00 31.44 30.64 3ddf n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ddf n ALA 171 N -0.70 0.80 0.03 0.62 0.00 -1.26 -4.57 120.51 115.43 3ddf n ALA 171 Ca 0.03 -0.51 0.11 0.00 0.00 0.00 0.00 53.44 53.07 3ddf n ALA 171 Cb 0.20 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 3ddf n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ddf n ASN 172 N -4.42 0.35 -4.77 0.00 3.02 -1.26 -4.56 115.26 103.62 3ddf n ASN 172 Ca -0.33 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 3ddf n ASN 172 Cb 0.69 1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 41.19 3ddf n ASN 172 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ddf s SER 173 N -4.88 6.81 0.24 6.41 0.15 -1.26 -4.76 113.70 116.41 3ddf s SER 173 Ca -0.05 2.66 -0.26 0.00 0.70 0.00 0.00 55.95 58.99 3ddf s SER 173 Cb 0.12 -2.65 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 3ddf s SER 173 CO 0.86 -0.51 0.87 -2.28 1.20 0.00 0.00 173.24 173.39 3ddf s HIS 174 N -1.14 3.85 0.45 3.44 2.46 -1.26 -4.21 115.29 118.86 3ddf s HIS 174 Ca 0.49 1.75 0.17 0.00 0.47 0.00 0.00 55.06 57.94 3ddf s HIS 174 Cb -0.39 -2.87 1.11 0.00 -0.13 0.00 0.00 32.58 30.31 3ddf s HIS 174 CO 0.52 0.39 1.93 0.11 -2.47 0.00 0.00 174.74 175.22 3ddf h TRP 175 N 3.83 0.40 -0.68 3.88 5.08 -1.12 -0.02 115.95 127.31 3ddf h TRP 175 Ca -0.46 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 3ddf h TRP 175 Cb 1.20 -0.13 -0.03 0.00 -3.00 0.00 0.00 29.16 27.20 3ddf h TRP 175 CO 0.62 0.15 0.32 0.00 -1.28 0.00 0.00 178.44 178.26 3ddf h ARG 176 N 0.34 0.96 0.00 0.12 3.08 -1.93 -1.05 114.38 115.91 3ddf h ARG 176 Ca 0.35 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 60.08 3ddf h ARG 176 Cb 0.88 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 3ddf h ARG 176 CO -0.10 0.75 -0.95 -0.91 -1.07 0.00 0.00 179.97 177.69 3ddf h ASN 177 N 0.96 0.00 -0.46 7.04 2.35 -1.44 -0.97 115.58 123.06 3ddf h ASN 177 Ca 0.24 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3ddf h ASN 177 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3ddf h ASN 177 CO -0.03 0.90 0.28 0.58 -1.65 0.00 0.00 177.43 177.51 3ddf h VAL 178 N 0.00 1.15 -0.56 2.81 2.07 -0.94 -1.42 116.25 119.35 3ddf h VAL 178 Ca -0.03 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3ddf h VAL 178 Cb 1.71 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3ddf h VAL 178 CO 0.11 0.15 0.21 0.25 0.02 0.00 0.00 177.57 178.31 3ddf h LEU 179 N 0.62 0.78 -0.11 2.57 5.85 -1.16 -1.87 115.31 121.99 3ddf h LEU 179 Ca 0.17 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3ddf h LEU 179 Cb -0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 3ddf h LEU 179 CO -0.03 0.75 -0.17 0.25 -0.34 0.00 0.00 178.44 178.90 3ddf h LEU 180 N 0.77 -0.51 -0.56 2.25 5.85 -0.93 0.32 115.31 122.50 3ddf h LEU 180 Ca 0.18 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.84 3ddf h LEU 180 Cb 0.22 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3ddf h LEU 180 CO -0.01 -0.22 -0.49 0.06 -0.34 0.00 0.00 178.44 177.44 3ddf h GLN 181 N -0.22 0.58 -0.52 1.25 -0.00 -1.19 0.00 115.11 115.01 3ddf h GLN 181 Ca 0.09 -0.34 -0.00 0.00 -0.00 0.00 0.00 58.65 58.40 3ddf h GLN 181 Cb 0.35 0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 27.83 3ddf h GLN 181 CO -0.24 0.94 0.32 1.25 -0.00 0.00 0.00 178.83 181.10 3ddf h LEU 182 N 0.46 0.62 -0.67 0.06 5.85 -1.03 -0.94 115.31 119.65 3ddf h LEU 182 Ca 0.02 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3ddf h LEU 182 Cb 1.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3ddf h LEU 182 CO 0.09 0.49 0.23 0.74 -0.34 0.00 0.00 178.44 179.66 3ddf h THR 183 N 0.70 1.25 -0.20 1.05 2.02 -0.62 -0.58 112.91 116.51 3ddf h THR 183 Ca 0.19 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3ddf h THR 183 Cb -0.02 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3ddf h THR 183 CO -0.04 0.32 0.13 -0.08 0.37 0.00 0.00 175.52 176.23 3ddf h GLU 184 N 0.97 0.27 -0.36 6.66 4.57 -0.81 0.44 114.58 126.32 3ddf h GLU 184 Ca 0.22 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 3ddf h GLU 184 Cb 0.26 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3ddf h GLU 184 CO -0.01 0.19 -0.08 0.78 -1.18 0.00 0.00 179.01 178.70 3ddf h GLY 185 N 0.27 0.76 1.89 1.92 0.00 -1.31 -2.82 103.07 103.79 3ddf h GLY 185 Ca 0.07 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.63 3ddf h GLY 185 CO -0.02 0.57 -0.67 1.46 0.00 0.00 0.00 176.54 177.88 3ddf h GLN 186 N 0.50 0.11 -0.61 4.80 4.20 -0.39 -1.32 115.11 122.39 3ddf h GLN 186 Ca 0.09 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3ddf h GLN 186 Cb 0.59 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3ddf h GLN 186 CO 0.04 0.74 0.01 1.15 -0.67 0.00 0.00 178.83 180.09 3ddf h THR 187 N 0.07 1.26 -0.03 -0.54 2.02 -0.94 -0.17 112.91 114.59 3ddf h THR 187 Ca -0.01 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3ddf h THR 187 Cb 1.20 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3ddf h THR 187 CO 0.10 0.42 0.02 -0.25 0.37 0.00 0.00 175.52 176.17 3ddf h TRP 188 N 0.98 0.04 -0.82 3.16 7.01 -1.27 -2.04 115.95 122.99 3ddf h TRP 188 Ca 0.18 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.18 3ddf h TRP 188 Cb 0.54 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3ddf h TRP 188 CO 0.04 0.02 0.54 -0.07 -2.79 0.00 0.00 178.44 176.19 3ddf h LEU 189 N 0.04 0.95 -0.22 0.65 3.38 -0.98 -0.59 115.31 118.53 3ddf h LEU 189 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ddf h LEU 189 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ddf h LEU 189 CO -0.00 0.69 0.09 0.50 0.09 0.00 0.00 178.44 179.81 3ddf h LYS 190 N 1.12 0.33 -0.30 1.13 3.64 -0.87 0.48 116.57 122.10 3ddf h LYS 190 Ca 0.30 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ddf h LYS 190 Cb -0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3ddf h LYS 190 CO -0.06 0.38 0.11 0.37 -2.27 0.00 0.00 179.45 177.98 3ddf h GLN 191 N 0.21 0.45 0.00 1.90 4.15 -0.98 -2.71 115.11 118.13 3ddf h GLN 191 Ca 0.08 -0.08 -0.33 0.00 0.77 0.00 0.00 58.65 59.08 3ddf h GLN 191 Cb 0.17 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 3ddf h GLN 191 CO -0.01 0.47 -2.25 1.19 -1.93 0.00 0.00 178.83 176.30 3ddf n PHE 192 N -4.73 0.00 0.25 3.99 3.01 -0.26 -4.57 117.46 115.15 3ddf n PHE 192 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 3ddf n PHE 192 Cb 0.14 -0.89 0.00 0.00 -0.01 0.00 0.00 39.48 38.72 3ddf n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3ddf n MET 193 N -2.67 1.92 -3.76 -1.08 2.81 -0.01 -4.99 117.12 109.35 3ddf n MET 193 Ca -0.29 -0.53 -0.26 0.00 -1.81 0.00 0.00 57.70 54.81 3ddf n MET 193 Cb 1.08 -0.97 0.05 0.00 -0.71 0.00 0.00 33.22 32.66 3ddf n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3ddf n ASN 194 N -0.23 -4.33 -3.96 7.83 5.15 -0.24 -4.88 115.26 114.59 3ddf n ASN 194 Ca 0.03 -0.71 -0.09 0.00 -0.60 0.00 0.00 54.58 53.20 3ddf n ASN 194 Cb 0.12 -4.30 -0.11 0.00 -0.53 0.00 0.00 39.78 34.97 3ddf n ASN 194 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ddf s VAL 195 N -3.38 0.11 -0.21 3.44 1.01 -1.19 -4.99 120.40 115.20 3ddf s VAL 195 Ca 0.47 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ddf s VAL 195 Cb -0.23 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 35.80 3ddf s VAL 195 CO 0.79 -0.52 0.04 -0.89 0.00 0.00 0.00 175.10 174.52 3ddf s THR 196 N -1.69 0.59 0.53 3.92 2.01 -1.26 -3.38 115.64 116.37 3ddf s THR 196 Ca -0.14 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 3ddf s THR 196 Cb -0.08 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 3ddf s THR 196 CO -0.01 -0.25 1.36 -2.84 -0.69 0.00 0.00 174.62 172.19 3ddf s PRO 197 N 1.82 3.22 0.00 4.92 0.02 -1.26 -4.93 135.00 138.79 3ddf s PRO 197 Ca -0.00 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.27 3ddf s PRO 197 Cb -0.17 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.05 3ddf s PRO 197 CO -0.10 -1.13 0.53 0.25 -0.33 0.00 0.00 177.00 176.23 3ddf n THR 198 N -0.92 0.02 -5.17 0.99 -2.24 -1.26 -4.77 114.28 100.94 3ddf n THR 198 Ca 0.10 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 3ddf n THR 198 Cb 0.45 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.52 3ddf n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddf s ALA 199 N -0.08 2.26 -0.02 6.98 0.00 -1.26 -0.72 121.76 128.93 3ddf s ALA 199 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3ddf s ALA 199 Cb 0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3ddf s ALA 199 CO 0.01 0.40 0.03 0.45 0.00 0.00 0.00 175.76 176.65 3ddf s SER 200 N -0.11 5.36 -0.22 0.00 0.15 -0.45 -0.91 113.70 117.51 3ddf s SER 200 Ca -0.04 0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 3ddf s SER 200 Cb -0.14 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.75 3ddf s SER 200 CO 0.04 0.30 -0.03 0.86 1.20 0.00 0.00 173.24 175.61 3ddf s TRP 201 N -1.09 1.95 -0.53 3.44 -0.11 -1.26 -0.92 118.94 120.42 3ddf s TRP 201 Ca 0.19 -1.45 0.05 0.00 1.22 0.00 0.00 56.10 56.11 3ddf s TRP 201 Cb -0.12 -1.40 0.18 0.00 -1.50 0.00 0.00 33.47 30.63 3ddf s TRP 201 CO 0.10 -0.72 0.42 0.00 -4.62 0.00 0.00 176.95 172.14 3ddf n ALA 202 N 4.79 3.10 0.54 5.86 0.00 -0.53 -4.84 120.51 129.44 3ddf n ALA 202 Ca -0.11 -3.73 0.12 0.00 0.00 0.00 0.00 53.44 49.72 3ddf n ALA 202 Cb 0.45 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 19.24 3ddf n ALA 202 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3ddf h ILE 203 N 4.36 0.00 0.00 0.00 3.07 -1.93 -3.17 117.51 119.84 3ddf h ILE 203 Ca 0.21 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 66.08 3ddf h ILE 203 Cb 0.84 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3ddf h ILE 203 CO 0.53 0.00 -0.45 -0.67 -1.05 0.00 0.00 178.15 176.51 3ddf n ASP 204 N -2.21 2.25 -4.66 2.16 4.64 -1.26 -4.41 116.55 113.07 3ddf n ASP 204 Ca 0.03 -0.17 -0.39 0.00 -1.38 0.00 0.00 54.79 52.89 3ddf n ASP 204 Cb 0.45 0.79 0.04 0.00 -1.04 0.00 0.00 41.12 41.36 3ddf n ASP 204 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3ddf n PRO 205 N -1.01 1.27 -2.65 -0.67 -0.02 -1.26 -4.82 135.00 125.84 3ddf n PRO 205 Ca 0.00 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 3ddf n PRO 205 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3ddf n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ddf n PHE 206 N -1.21 3.76 0.00 6.00 3.72 -1.26 -4.39 117.46 124.08 3ddf n PHE 206 Ca 0.12 -3.04 0.00 0.00 -0.05 0.00 0.00 57.45 54.48 3ddf n PHE 206 Cb 0.44 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.00 3ddf n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ddf n GLY 207 N 3.18 2.19 3.07 1.37 0.00 -1.09 -4.58 105.19 109.33 3ddf n GLY 207 Ca 0.37 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 3ddf n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddf s HIS 208 N -2.90 0.90 -0.02 1.61 3.76 -1.07 -4.61 115.29 112.96 3ddf s HIS 208 Ca 0.00 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 3ddf s HIS 208 Cb 0.00 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 3ddf s HIS 208 CO 0.00 -0.01 -0.13 0.45 -0.85 0.00 0.00 174.74 174.21 3ddf s SER 209 N -0.88 4.18 0.00 1.40 0.15 -1.26 -1.14 113.70 116.16 3ddf s SER 209 Ca -0.01 -0.22 0.13 0.00 0.70 0.00 0.00 55.95 56.55 3ddf s SER 209 Cb -0.06 -0.88 0.58 0.00 -1.71 0.00 0.00 66.02 63.94 3ddf s SER 209 CO 0.00 0.31 1.39 -0.81 1.20 0.00 0.00 173.24 175.33 3ddf n PRO 210 N 1.93 0.06 0.15 5.44 -0.04 -1.26 -2.08 135.00 139.20 3ddf n PRO 210 Ca -0.17 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3ddf n PRO 210 Cb 0.52 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.05 3ddf n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ddf h THR 211 N 0.00 1.03 0.45 0.52 2.02 -1.95 -2.37 112.91 112.61 3ddf h THR 211 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3ddf h THR 211 Cb 0.19 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3ddf h THR 211 CO 0.00 0.04 -0.21 -0.03 0.37 0.00 0.00 175.52 175.68 3ddf h MET 212 N 0.21 -0.58 -0.26 6.66 -1.53 -1.83 -1.52 114.93 116.08 3ddf h MET 212 Ca 0.07 0.04 0.02 0.00 -3.44 0.00 0.00 59.70 56.38 3ddf h MET 212 Cb 0.01 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 3ddf h MET 212 CO -0.01 -0.28 0.17 -1.00 0.14 0.00 0.00 176.91 175.93 3ddf h PRO 213 N -0.88 0.27 0.07 0.39 0.13 -1.74 0.56 132.00 130.80 3ddf h PRO 213 Ca -0.06 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.07 3ddf h PRO 213 Cb 0.57 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 3ddf h PRO 213 CO 0.10 0.18 -0.18 -0.92 -0.23 0.00 0.00 178.00 176.95 3ddf h TYR 214 N 0.28 -0.48 -0.22 1.56 3.20 -1.22 0.29 116.97 120.38 3ddf h TYR 214 Ca 0.10 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3ddf h TYR 214 Cb 0.07 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3ddf h TYR 214 CO -0.00 -0.27 -0.15 0.82 -1.64 0.00 0.00 178.16 176.92 3ddf h ILE 215 N -0.34 1.31 -0.41 1.81 2.04 -0.78 -3.07 117.51 118.08 3ddf h ILE 215 Ca 0.03 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3ddf h ILE 215 Cb 0.37 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3ddf h ILE 215 CO -0.12 0.39 0.19 -0.07 0.00 0.00 0.00 178.15 178.54 3ddf h LEU 216 N 0.18 0.55 -1.69 1.44 3.38 -0.81 -2.13 115.31 116.22 3ddf h LEU 216 Ca 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3ddf h LEU 216 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3ddf h LEU 216 CO 0.04 0.53 -0.18 -0.61 0.09 0.00 0.00 178.44 178.31 3ddf h GLN 217 N 0.53 0.00 -0.13 1.13 -0.00 -0.99 -0.16 115.11 115.49 3ddf h GLN 217 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 3ddf h GLN 217 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.62 3ddf h GLN 217 CO -0.02 0.18 0.00 1.63 0.00 0.00 0.00 178.83 180.63 3ddf n LYS 218 N -4.12 1.49 -0.36 1.69 5.02 -0.95 -3.72 118.16 117.22 3ddf n LYS 218 Ca -0.02 -0.74 0.07 0.00 -2.02 0.00 0.00 58.31 55.60 3ddf n LYS 218 Cb 0.26 -1.33 0.13 0.00 -0.02 0.00 0.00 35.03 34.06 3ddf n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ddf n SER 219 N -0.02 1.76 0.00 4.39 7.64 -0.16 -1.90 113.62 125.33 3ddf n SER 219 Ca 0.14 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.96 3ddf n SER 219 Cb 0.23 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3ddf n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddf n GLY 220 N -1.02 0.99 3.79 0.23 0.00 -1.13 -4.90 105.19 103.15 3ddf n GLY 220 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3ddf n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ddf s PHE 221 N -2.79 2.88 0.00 1.61 0.40 -0.65 -4.81 117.98 114.62 3ddf s PHE 221 Ca 0.00 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 3ddf s PHE 221 Cb 0.00 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.43 3ddf s PHE 221 CO 0.00 -1.22 0.00 1.63 0.70 0.00 0.00 175.22 176.33 3ddf n LYS 222 N -1.71 2.77 -3.69 0.44 4.76 0.11 -4.57 118.16 116.27 3ddf n LYS 222 Ca 0.10 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.40 3ddf n LYS 222 Cb 0.52 -0.80 -0.07 0.00 -1.84 0.00 0.00 35.03 32.84 3ddf n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3ddf s ASN 223 N -1.59 -0.30 0.06 4.39 -0.87 -1.04 -3.90 114.94 111.69 3ddf s ASN 223 Ca 0.00 0.17 -0.08 0.00 -1.57 0.00 0.00 52.86 51.38 3ddf s ASN 223 Cb 0.00 0.39 -0.00 0.00 -0.02 0.00 0.00 41.25 41.61 3ddf s ASN 223 CO 0.00 -0.55 0.17 0.00 -2.57 0.00 0.00 177.10 174.15 3ddf s MET 224 N -1.68 0.74 -0.02 -0.60 0.23 -0.10 -1.35 119.30 116.53 3ddf s MET 224 Ca -0.10 -0.83 0.04 0.00 -1.03 0.00 0.00 55.69 53.76 3ddf s MET 224 Cb -0.03 0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 33.56 3ddf s MET 224 CO 0.03 -0.22 -0.14 -1.17 -2.03 0.00 0.00 175.02 171.49 3ddf s LEU 225 N -2.50 1.99 0.15 0.18 0.20 -0.10 -0.58 118.68 118.02 3ddf s LEU 225 Ca 0.00 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.59 3ddf s LEU 225 Cb 0.02 -0.76 -0.05 0.00 -0.43 0.00 0.00 46.19 44.98 3ddf s LEU 225 CO -0.08 0.16 -0.05 0.27 -0.29 0.00 0.00 176.35 176.37 3ddf s ILE 226 N -0.24 0.89 0.00 6.68 -4.36 -0.45 -1.45 121.20 122.27 3ddf s ILE 226 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 3ddf s ILE 226 Cb -0.07 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.69 3ddf s ILE 226 CO -0.00 -0.64 0.00 1.67 0.24 0.00 0.00 174.94 176.21 3ddf n GLN 227 N -0.20 0.00 -2.87 0.37 -0.06 -1.20 -1.48 117.38 111.94 3ddf n GLN 227 Ca -0.09 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.48 3ddf n GLN 227 Cb 0.62 -0.08 -0.02 0.00 -4.06 0.00 0.00 30.24 26.69 3ddf n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3ddf s ARG 228 N -1.96 3.68 0.17 3.69 0.52 -1.26 -4.77 118.95 119.02 3ddf s ARG 228 Ca 0.00 -1.80 0.09 0.00 -0.52 0.00 0.00 55.73 53.50 3ddf s ARG 228 Cb 0.00 -5.02 -0.04 0.00 0.52 0.00 0.00 34.95 30.41 3ddf s ARG 228 CO 0.00 -1.85 -0.18 0.95 0.02 0.00 0.00 175.30 174.24 3ddf s THR 229 N 2.88 1.88 0.20 0.02 -4.23 -1.26 -2.66 115.64 112.47 3ddf s THR 229 Ca 0.37 -1.96 -0.32 0.00 -1.18 0.00 0.00 61.69 58.59 3ddf s THR 229 Cb -0.04 -1.89 -0.15 0.00 1.34 0.00 0.00 72.50 71.76 3ddf s THR 229 CO -0.08 -0.32 1.24 1.57 -0.54 0.00 0.00 174.62 176.49 3ddf n HIS 230 N 0.22 1.59 -0.19 3.99 -0.00 -1.26 -4.75 115.22 114.82 3ddf n HIS 230 Ca -0.12 0.60 0.16 0.00 0.46 0.00 0.00 57.72 58.81 3ddf n HIS 230 Cb 0.57 -2.34 0.50 0.00 -0.12 0.00 0.00 29.99 28.61 3ddf n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3ddf h TYR 231 N 3.57 0.51 -0.17 1.57 -0.00 -1.81 -0.37 116.97 120.26 3ddf h TYR 231 Ca -0.44 0.02 -0.13 0.00 0.00 0.00 0.00 58.73 58.18 3ddf h TYR 231 Cb 1.32 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 37.88 3ddf h TYR 231 CO 0.54 0.18 -0.43 0.77 -0.00 0.00 0.00 178.16 179.22 3ddf h SER 232 N 0.42 0.44 -0.32 0.10 0.02 -1.88 -2.15 113.55 110.19 3ddf h SER 232 Ca 0.40 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3ddf h SER 232 Cb 0.94 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3ddf h SER 232 CO -0.14 0.82 0.08 0.58 -1.14 0.00 0.00 176.83 177.03 3ddf h VAL 233 N 0.34 1.22 -0.54 2.27 2.07 -1.44 -1.67 116.25 118.50 3ddf h VAL 233 Ca 0.03 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.87 3ddf h VAL 233 Cb 0.90 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3ddf h VAL 233 CO 0.08 0.25 0.26 0.11 0.02 0.00 0.00 177.57 178.28 3ddf h LYS 234 N 0.35 0.49 -0.37 1.57 1.57 -1.24 -0.37 116.57 118.58 3ddf h LYS 234 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ddf h LYS 234 Cb 0.30 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3ddf h LYS 234 CO 0.00 0.32 0.15 -0.22 -0.57 0.00 0.00 179.45 179.13 3ddf h LYS 235 N 0.50 0.55 -0.19 3.15 3.64 -1.27 0.30 116.57 123.25 3ddf h LYS 235 Ca 0.25 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ddf h LYS 235 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ddf h LYS 235 CO -0.19 0.53 0.06 1.49 -2.27 0.00 0.00 179.45 179.07 3ddf h GLU 236 N 0.45 0.30 -0.53 1.90 4.57 -0.98 -1.78 114.58 118.50 3ddf h GLU 236 Ca 0.12 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 3ddf h GLU 236 Cb 0.18 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3ddf h GLU 236 CO -0.01 0.40 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.01 3ddf h LEU 237 N 0.14 1.04 -0.85 1.64 3.38 -1.04 -2.93 115.31 116.69 3ddf h LEU 237 Ca 0.06 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ddf h LEU 237 Cb 0.22 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3ddf h LEU 237 CO -0.00 1.15 0.56 0.00 0.09 0.00 0.00 178.44 180.24 3ddf h ALA 238 N 0.93 1.10 -0.09 1.53 0.00 -0.79 0.84 119.26 122.78 3ddf h ALA 238 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ddf h ALA 238 Cb 0.70 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ddf h ALA 238 CO 0.05 0.44 0.03 1.96 0.00 0.00 0.00 179.25 181.73 3ddf h GLN 239 N 1.12 0.11 -0.37 0.00 4.20 -1.14 -2.25 115.11 116.79 3ddf h GLN 239 Ca 0.32 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3ddf h GLN 239 Cb -0.07 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3ddf h GLN 239 CO -0.09 0.10 0.00 1.04 -0.67 0.00 0.00 178.83 179.22 3ddf n GLN 240 N -4.49 2.47 -3.86 1.46 1.13 -0.92 -4.96 117.38 108.21 3ddf n GLN 240 Ca -0.02 -2.26 -0.24 0.00 -1.94 0.00 0.00 57.00 52.54 3ddf n GLN 240 Cb 0.11 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.96 3ddf n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3ddf n ARG 241 N 1.45 -4.06 -0.61 -1.09 1.74 -0.55 -4.90 116.66 108.64 3ddf n ARG 241 Ca 0.19 0.50 0.02 0.00 -0.77 0.00 0.00 57.85 57.79 3ddf n ARG 241 Cb 0.60 -4.86 0.20 0.00 -1.02 0.00 0.00 32.46 27.38 3ddf n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ddf n GLN 242 N -4.36 1.86 0.12 5.56 6.02 0.18 -4.63 117.38 122.12 3ddf n GLN 242 Ca -0.28 -3.09 0.13 0.00 -0.01 0.00 0.00 57.00 53.75 3ddf n GLN 242 Cb 0.67 -1.73 0.33 0.00 1.02 0.00 0.00 30.24 30.52 3ddf n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ddf h LEU 243 N 0.98 0.00 -8.66 1.08 3.38 -1.82 -3.42 115.31 106.86 3ddf h LEU 243 Ca 0.11 -0.03 -0.65 0.00 0.09 0.00 0.00 57.88 57.40 3ddf h LEU 243 Cb 1.38 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.88 3ddf h LEU 243 CO 0.22 0.02 -0.71 -1.61 0.09 0.00 0.00 178.44 176.44 3ddf s GLU 244 N -3.13 3.50 0.12 1.13 2.02 -1.26 -0.50 118.70 120.58 3ddf s GLU 244 Ca 0.09 -0.60 -0.13 0.00 0.02 0.00 0.00 54.97 54.35 3ddf s GLU 244 Cb 0.11 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.52 3ddf s GLU 244 CO 0.63 0.12 0.33 -0.59 0.02 0.00 0.00 175.26 175.78 3ddf s PHE 245 N 0.63 -0.05 -0.56 1.61 -0.12 -0.41 -4.24 117.98 114.85 3ddf s PHE 245 Ca -0.04 -0.31 -0.21 0.00 -0.05 0.00 0.00 56.93 56.32 3ddf s PHE 245 Cb -0.15 0.14 0.07 0.00 -0.63 0.00 0.00 43.02 42.45 3ddf s PHE 245 CO 0.03 -0.66 0.75 -0.51 -0.05 0.00 0.00 175.22 174.78 3ddf s LEU 246 N -2.83 4.81 -0.45 -1.99 1.43 0.08 -0.56 118.68 119.16 3ddf s LEU 246 Ca 0.05 -0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 51.98 3ddf s LEU 246 Cb 0.03 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3ddf s LEU 246 CO -0.11 -1.08 0.80 0.86 0.23 0.00 0.00 176.35 177.05 3ddf s TRP 247 N 3.10 2.99 0.29 0.29 -0.11 -0.30 -1.51 118.94 123.69 3ddf s TRP 247 Ca 0.18 0.19 0.08 0.00 1.22 0.00 0.00 56.10 57.77 3ddf s TRP 247 Cb -0.19 -3.69 -0.04 0.00 -1.50 0.00 0.00 33.47 28.06 3ddf s TRP 247 CO 0.12 -0.99 0.14 -0.98 -4.62 0.00 0.00 176.95 170.62 3ddf s ARG 248 N 3.33 2.59 0.65 5.86 1.70 -0.33 -1.55 118.95 131.20 3ddf s ARG 248 Ca 0.31 -1.31 -0.16 0.00 -0.47 0.00 0.00 55.73 54.10 3ddf s ARG 248 Cb -0.12 -2.35 -0.01 0.00 -0.57 0.00 0.00 34.95 31.91 3ddf s ARG 248 CO 0.23 0.28 1.13 -0.65 -1.08 0.00 0.00 175.30 175.20 3ddf s GLN 249 N -3.82 2.81 0.55 3.89 -1.52 -1.26 -4.34 119.66 115.97 3ddf s GLN 249 Ca 0.35 1.49 0.30 0.00 -1.95 0.00 0.00 55.36 55.55 3ddf s GLN 249 Cb -0.06 -1.94 1.62 0.00 -0.22 0.00 0.00 33.01 32.41 3ddf s GLN 249 CO 0.23 -1.26 2.14 -0.84 -0.25 0.00 0.00 175.29 175.31 3ddf h ILE 250 N 0.21 0.48 -0.06 1.08 3.07 -1.94 -1.80 117.51 118.55 3ddf h ILE 250 Ca -0.48 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.57 3ddf h ILE 250 Cb 1.26 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 3ddf h ILE 250 CO 0.54 0.07 0.00 -2.67 -1.05 0.00 0.00 178.15 175.04 3ddf n TRP 251 N -3.61 0.04 -2.89 0.16 2.14 -1.26 -4.63 117.44 107.39 3ddf n TRP 251 Ca -0.02 -0.02 -0.43 0.00 2.07 0.00 0.00 57.50 59.10 3ddf n TRP 251 Cb 0.19 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.65 3ddf n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3ddf s ASP 252 N -1.96 6.18 0.17 -0.67 2.15 -0.68 -4.69 116.67 117.18 3ddf s ASP 252 Ca 0.29 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.24 3ddf s ASP 252 Cb 0.20 -2.40 0.04 0.00 -0.30 0.00 0.00 42.92 40.46 3ddf s ASP 252 CO 0.30 -1.40 1.41 0.78 -0.17 0.00 0.00 175.17 176.09 3ddf h ASN 253 N 9.52 0.37 0.76 -0.34 4.21 -1.88 -3.31 115.58 124.90 3ddf h ASN 253 Ca -0.29 -0.27 -0.25 0.00 1.21 0.00 0.00 56.30 56.70 3ddf h ASN 253 Cb 1.07 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.14 3ddf h ASN 253 CO 1.17 1.03 -1.26 0.50 -1.29 0.00 0.00 177.43 177.58 3ddf h LYS 254 N 0.19 0.08 0.00 0.81 3.64 -1.98 -3.44 116.57 115.87 3ddf h LYS 254 Ca -0.04 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3ddf h LYS 254 Cb 1.39 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3ddf h LYS 254 CO 0.13 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 178.68 3ddf n GLY 255 N 1.47 0.94 0.20 5.01 0.00 -1.25 -4.99 105.19 106.57 3ddf n GLY 255 Ca -0.07 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 3ddf n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ddf h ASP 256 N 0.00 0.00 0.49 1.61 3.32 -1.94 -1.70 116.42 118.20 3ddf h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ddf h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ddf h ASP 256 CO 0.00 0.00 -0.07 0.35 -1.72 0.00 0.00 179.24 177.80 3ddf n THR 257 N -2.65 0.00 -1.84 0.35 -2.24 -1.26 -4.96 114.28 101.69 3ddf n THR 257 Ca 0.01 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 3ddf n THR 257 Cb 0.25 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3ddf n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddf s ALA 258 N -2.56 3.42 -0.06 6.98 0.00 -0.64 -4.71 121.76 124.19 3ddf s ALA 258 Ca 0.27 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.73 3ddf s ALA 258 Cb 0.20 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3ddf s ALA 258 CO 0.48 -1.07 -0.05 -1.17 0.00 0.00 0.00 175.76 173.95 3ddf s LEU 259 N -2.34 1.23 0.16 0.00 2.96 -0.60 -4.89 118.68 115.22 3ddf s LEU 259 Ca 0.56 -0.17 -0.31 0.00 -0.22 0.00 0.00 54.13 53.98 3ddf s LEU 259 Cb -0.44 -0.56 -0.11 0.00 0.50 0.00 0.00 46.19 45.58 3ddf s LEU 259 CO 0.59 -0.07 1.80 0.12 -1.32 0.00 0.00 176.35 177.46 3ddf s PHE 260 N 1.16 2.46 -0.06 5.38 5.36 -1.25 -1.14 117.98 129.89 3ddf s PHE 260 Ca -0.07 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.04 3ddf s PHE 260 Cb -0.14 -4.18 0.01 0.00 -0.34 0.00 0.00 43.02 38.37 3ddf s PHE 260 CO -0.01 -4.70 -0.14 0.99 -1.46 0.00 0.00 175.22 169.90 3ddf s THR 261 N 2.07 1.21 -0.25 0.12 2.01 0.28 -0.92 115.64 120.16 3ddf s THR 261 Ca 0.79 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 62.17 3ddf s THR 261 Cb -0.48 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3ddf s THR 261 CO 0.35 0.37 0.07 -2.28 -0.69 0.00 0.00 174.62 172.43 3ddf s HIS 262 N 0.44 3.08 -0.24 4.92 2.46 0.25 -1.28 115.29 124.92 3ddf s HIS 262 Ca -0.11 -0.43 -0.13 0.00 0.47 0.00 0.00 55.06 54.86 3ddf s HIS 262 Cb -0.14 -2.23 -0.04 0.00 -0.13 0.00 0.00 32.58 30.03 3ddf s HIS 262 CO 0.03 -0.36 0.28 1.41 -2.47 0.00 0.00 174.74 173.63 3ddf s MET 263 N 1.60 4.07 0.56 2.88 1.75 0.35 -1.34 119.30 129.16 3ddf s MET 263 Ca 0.06 -0.08 -0.19 0.00 -1.25 0.00 0.00 55.69 54.24 3ddf s MET 263 Cb -0.15 -3.59 -0.05 0.00 2.84 0.00 0.00 34.83 33.88 3ddf s MET 263 CO 0.03 -0.09 1.12 -1.64 -0.65 0.00 0.00 175.02 173.80 3ddf s MET 264 N 1.49 3.27 0.03 4.11 -1.94 -0.55 -4.79 119.30 120.92 3ddf s MET 264 Ca 0.12 1.57 0.23 0.00 -1.71 0.00 0.00 55.69 55.90 3ddf s MET 264 Cb -0.15 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.71 3ddf s MET 264 CO 0.08 -0.91 1.00 -0.35 -0.01 0.00 0.00 175.02 174.84 3ddf n PRO 265 N -1.48 0.24 -3.40 2.03 -0.04 -1.26 -4.85 135.00 126.24 3ddf n PRO 265 Ca 0.11 -0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 3ddf n PRO 265 Cb 0.51 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 3ddf n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ddf n PHE 266 N -1.86 -0.18 0.16 0.54 0.99 -1.26 -4.81 117.46 111.03 3ddf n PHE 266 Ca 0.02 -1.64 0.03 0.00 -0.00 0.00 0.00 57.45 55.86 3ddf n PHE 266 Cb 0.42 -0.27 0.24 0.00 -1.00 0.00 0.00 39.48 38.86 3ddf n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3ddf h TYR 267 N 0.85 0.00 -4.23 1.38 3.20 -1.95 -3.46 116.97 112.76 3ddf h TYR 267 Ca -0.26 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.46 3ddf h TYR 267 Cb 0.87 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.00 3ddf h TYR 267 CO 0.00 0.48 -0.53 0.45 -1.64 0.00 0.00 178.16 176.91 3ddf s SER 268 N -6.54 0.22 0.00 -2.11 0.15 -1.26 -5.04 113.70 99.12 3ddf s SER 268 Ca 0.00 -1.08 0.28 0.00 0.70 0.00 0.00 55.95 55.85 3ddf s SER 268 Cb 0.11 0.34 1.17 0.00 -1.71 0.00 0.00 66.02 65.93 3ddf s SER 268 CO 0.72 -0.78 1.82 0.00 1.20 0.00 0.00 173.24 176.19 3ddf n TYR 269 N -0.13 0.00 -1.25 3.44 0.18 -1.26 -4.50 117.16 113.64 3ddf n TYR 269 Ca -0.06 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.42 3ddf n TYR 269 Cb 0.63 -0.09 0.15 0.00 -0.38 0.00 0.00 39.34 39.65 3ddf n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3ddf s ASP 270 N -2.28 3.20 0.19 9.48 1.47 -1.26 -4.63 116.67 122.83 3ddf s ASP 270 Ca 0.33 1.30 -0.11 0.00 1.18 0.00 0.00 52.55 55.25 3ddf s ASP 270 Cb 0.20 -1.97 0.10 0.00 -0.34 0.00 0.00 42.92 40.92 3ddf s ASP 270 CO 0.43 -2.78 1.77 0.40 0.68 0.00 0.00 175.17 175.66 3ddf h ILE 271 N -1.65 1.23 -0.21 2.11 2.04 -1.89 -1.89 117.51 117.24 3ddf h ILE 271 Ca -0.51 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 64.76 3ddf h ILE 271 Cb 1.31 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3ddf h ILE 271 CO 0.57 0.27 0.25 -0.65 0.00 0.00 0.00 178.15 178.59 3ddf h PRO 272 N 0.91 0.00 -0.23 2.37 0.11 -1.88 -2.16 132.00 131.13 3ddf h PRO 272 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3ddf h PRO 272 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3ddf h PRO 272 CO -0.03 0.00 -0.00 0.72 -0.21 0.00 0.00 178.00 178.48 3ddf n HIS 273 N -3.71 0.81 0.00 0.65 8.25 -0.74 -3.90 115.22 116.57 3ddf n HIS 273 Ca 0.02 -0.95 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 3ddf n HIS 273 Cb 0.38 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3ddf n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3ddf n THR 274 N -0.70 0.00 0.17 1.59 -2.24 -0.81 -4.60 114.28 107.68 3ddf n THR 274 Ca 0.21 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 3ddf n THR 274 Cb 0.86 0.89 0.10 0.00 -2.10 0.00 0.00 70.33 70.08 3ddf n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddf n GLY 276 N 1.14 -2.47 0.16 0.00 0.00 -1.26 -3.61 105.19 99.14 3ddf n GLY 276 Ca 0.02 -1.27 0.13 0.00 0.00 0.00 0.00 46.02 44.90 3ddf n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ddf h PRO 277 N 0.00 0.00 -4.37 1.61 0.13 -1.93 -3.43 132.00 124.01 3ddf h PRO 277 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 3ddf h PRO 277 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 3ddf h PRO 277 CO 0.00 0.00 -0.43 0.34 -0.23 0.00 0.00 178.00 177.68 3ddf s ASP 278 N -4.84 5.65 0.51 1.44 -1.08 -1.26 -3.30 116.67 113.79 3ddf s ASP 278 Ca 0.06 -1.74 0.25 0.00 -0.52 0.00 0.00 52.55 50.60 3ddf s ASP 278 Cb 0.10 -1.99 1.37 0.00 -1.46 0.00 0.00 42.92 40.94 3ddf s ASP 278 CO 0.53 -0.62 2.06 1.55 0.52 0.00 0.00 175.17 179.21 3ddf h PRO 279 N 8.41 0.00 -0.06 4.34 0.13 -1.79 -0.86 132.00 142.17 3ddf h PRO 279 Ca -0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.85 3ddf h PRO 279 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3ddf h PRO 279 CO 0.81 0.13 -0.25 -0.22 -0.23 0.00 0.00 178.00 178.24 3ddf h LYS 280 N 0.00 0.10 0.00 0.86 3.64 -1.93 -0.49 116.57 118.75 3ddf h LYS 280 Ca -0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3ddf h LYS 280 Cb 0.32 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ddf h LYS 280 CO 0.02 0.34 -0.11 0.28 -2.27 0.00 0.00 179.45 177.71 3ddf h VAL 281 N 0.09 1.58 -0.36 2.00 2.07 -1.59 -3.37 116.25 116.67 3ddf h VAL 281 Ca 0.01 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3ddf h VAL 281 Cb 0.49 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 3ddf h VAL 281 CO 0.03 0.53 0.24 0.00 0.02 0.00 0.00 177.57 178.40 3ddf n GLN 284 N -4.19 0.18 -0.22 0.00 6.02 -0.56 -2.06 117.38 116.55 3ddf n GLN 284 Ca -0.03 0.16 0.07 0.00 -0.01 0.00 0.00 57.00 57.19 3ddf n GLN 284 Cb 0.13 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.05 3ddf n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3ddf n PHE 285 N -1.31 0.47 -3.39 1.08 3.72 -0.17 -4.19 117.46 113.66 3ddf n PHE 285 Ca 0.07 -0.72 -0.45 0.00 -0.05 0.00 0.00 57.45 56.29 3ddf n PHE 285 Cb 0.12 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 3ddf n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ddf s ASP 286 N -1.67 6.45 0.00 4.37 -1.08 -0.87 -4.95 116.67 118.91 3ddf s ASP 286 Ca 0.27 -2.55 0.24 0.00 -0.52 0.00 0.00 52.55 49.99 3ddf s ASP 286 Cb 0.21 -2.16 1.38 0.00 -1.46 0.00 0.00 42.92 40.89 3ddf s ASP 286 CO 0.08 -0.59 1.78 0.49 0.52 0.00 0.00 175.17 177.45 3ddf n PHE 287 N 4.13 0.00 1.29 -5.34 3.01 -1.26 -1.66 117.46 117.63 3ddf n PHE 287 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.68 3ddf n PHE 287 Cb 0.45 -0.04 0.69 0.00 -0.01 0.00 0.00 39.48 40.57 3ddf n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3ddf n LYS 288 N -1.04 0.36 -1.09 -1.08 4.81 -1.26 -4.13 118.16 114.74 3ddf n LYS 288 Ca 0.17 0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 3ddf n LYS 288 Cb 0.09 -1.50 0.25 0.00 0.02 0.00 0.00 35.03 33.90 3ddf n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3ddf n ARG 289 N -1.30 3.12 0.00 1.64 1.74 -0.66 -4.53 116.66 116.66 3ddf n ARG 289 Ca 0.13 -2.98 0.13 0.00 -0.77 0.00 0.00 57.85 54.35 3ddf n ARG 289 Cb 0.23 -2.18 0.31 0.00 -1.02 0.00 0.00 32.46 29.79 3ddf n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3ddf n MET 290 N -0.51 0.69 0.00 5.56 2.81 -1.26 -4.29 117.12 120.11 3ddf n MET 290 Ca 0.48 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3ddf n MET 290 Cb 1.49 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3ddf n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddf n GLY 291 N 1.38 4.06 0.22 3.03 0.00 -1.23 -4.99 105.19 107.66 3ddf n GLY 291 Ca 0.10 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.58 3ddf n GLY 291 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ddf h SER 292 N 0.45 0.00 -0.22 1.61 0.87 -1.89 -0.86 113.55 113.52 3ddf h SER 292 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ddf h SER 292 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3ddf h SER 292 CO 0.00 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.79 3ddf n PHE 293 N -2.73 0.27 -1.07 2.24 3.01 -1.26 -4.95 117.46 112.97 3ddf n PHE 293 Ca 0.01 -0.14 -0.02 0.00 1.01 0.00 0.00 57.45 58.31 3ddf n PHE 293 Cb 0.26 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.72 3ddf n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ddf n GLY 294 N 1.29 0.57 3.34 1.37 0.00 -0.33 -5.03 105.19 106.39 3ddf n GLY 294 Ca 0.17 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 3ddf n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddf s LEU 295 N -0.53 2.49 0.32 0.99 1.43 -1.26 -5.05 118.68 117.07 3ddf s LEU 295 Ca 0.00 -0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 52.09 3ddf s LEU 295 Cb 0.00 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.48 3ddf s LEU 295 CO 0.00 -0.10 0.52 -0.94 0.23 0.00 0.00 176.35 176.06 3ddf s SER 296 N -2.97 0.47 -0.29 2.29 1.04 -1.26 -3.54 113.70 109.44 3ddf s SER 296 Ca 0.19 -1.27 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 3ddf s SER 296 Cb -0.03 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3ddf s SER 296 CO 0.07 -1.31 0.17 0.00 0.98 0.00 0.00 173.24 173.15 3ddf h PRO 298 N 8.36 0.00 0.00 0.00 0.10 -1.98 -0.93 132.00 137.55 3ddf h PRO 298 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.75 3ddf h PRO 298 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 3ddf h PRO 298 CO 0.58 0.01 0.00 0.91 0.10 0.00 0.00 178.00 179.60 3ddf n TRP 299 N -3.26 0.00 -1.01 0.65 8.01 -1.26 -4.92 117.44 115.66 3ddf n TRP 299 Ca -0.02 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.16 3ddf n TRP 299 Cb 0.12 -0.16 -0.00 0.00 -2.01 0.00 0.00 31.31 29.26 3ddf n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3ddf n LYS 300 N -1.16 -0.03 -4.06 -0.99 5.02 -0.36 -5.01 118.16 111.57 3ddf n LYS 300 Ca 0.18 0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 56.48 3ddf n LYS 300 Cb 0.18 -3.66 -0.15 0.00 -0.02 0.00 0.00 35.03 31.38 3ddf n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ddf s VAL 301 N -2.00 2.00 0.68 -0.18 1.01 -1.26 -5.07 120.40 115.57 3ddf s VAL 301 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 3ddf s VAL 301 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3ddf s VAL 301 CO 0.00 0.16 1.06 -2.16 0.00 0.00 0.00 175.10 174.16 3ddf s PRO 302 N 1.23 2.95 0.67 2.72 0.04 -1.26 -4.50 135.00 136.84 3ddf s PRO 302 Ca -0.03 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 3ddf s PRO 302 Cb -0.17 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3ddf s PRO 302 CO -0.08 -0.93 1.18 -2.14 0.04 0.00 0.00 177.00 175.07 3ddf s PRO 303 N -5.29 2.58 0.01 0.56 0.02 -1.26 -4.75 135.00 126.88 3ddf s PRO 303 Ca 0.57 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.32 3ddf s PRO 303 Cb -0.11 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 3ddf s PRO 303 CO 0.51 -1.48 -0.15 1.03 -0.33 0.00 0.00 177.00 176.58 3ddf s ARG 304 N -3.77 1.12 0.26 5.54 0.52 -1.26 -4.82 118.95 116.54 3ddf s ARG 304 Ca 0.73 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 55.00 3ddf s ARG 304 Cb -0.27 -1.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.96 3ddf s ARG 304 CO 0.40 0.29 1.55 2.41 0.02 0.00 0.00 175.30 179.98 3ddf n THR 305 N 2.38 0.79 -2.47 0.02 -1.04 -1.26 -4.93 114.28 107.77 3ddf n THR 305 Ca -0.16 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 3ddf n THR 305 Cb 0.55 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 3ddf n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ddf s ILE 306 N 0.19 4.00 0.23 12.58 -1.09 -1.26 -4.97 121.20 130.88 3ddf s ILE 306 Ca 0.68 1.55 0.01 0.00 -2.23 0.00 0.00 60.65 60.66 3ddf s ILE 306 Cb -0.56 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.28 3ddf s ILE 306 CO 0.46 0.19 0.10 -0.94 -1.23 0.00 0.00 174.94 173.52 3ddf s SER 307 N 0.53 0.89 0.52 3.58 1.04 -1.26 -5.00 113.70 114.00 3ddf s SER 307 Ca 0.54 -1.37 0.20 0.00 0.48 0.00 0.00 55.95 55.80 3ddf s SER 307 Cb -0.29 0.22 1.34 0.00 0.10 0.00 0.00 66.02 67.40 3ddf s SER 307 CO 0.32 -0.75 2.13 0.44 0.98 0.00 0.00 173.24 176.36 3ddf h ASP 308 N 2.48 0.00 1.83 7.02 3.32 -2.00 -0.67 116.42 128.40 3ddf h ASP 308 Ca -0.37 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 3ddf h ASP 308 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ddf h ASP 308 CO 0.59 0.06 -0.17 1.56 -1.72 0.00 0.00 179.24 179.56 3ddf h GLN 309 N 0.00 0.00 -0.00 3.56 7.50 -1.99 -3.35 115.11 120.82 3ddf h GLN 309 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3ddf h GLN 309 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 3ddf h GLN 309 CO 0.01 0.12 -0.13 0.27 -1.50 0.00 0.00 178.83 177.59 3ddf n ASN 310 N -3.11 0.76 0.08 1.46 0.23 -1.02 -4.76 115.26 108.91 3ddf n ASN 310 Ca 0.03 -0.88 -0.00 0.00 -0.53 0.00 0.00 54.58 53.20 3ddf n ASN 310 Cb 0.58 0.56 0.29 0.00 -2.08 0.00 0.00 39.78 39.13 3ddf n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3ddf h VAL 311 N 0.47 1.24 -0.29 3.53 3.04 -1.26 -0.37 116.25 122.61 3ddf h VAL 311 Ca 0.00 -1.10 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 3ddf h VAL 311 Cb 0.16 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3ddf h VAL 311 CO 0.00 0.34 0.07 0.00 -1.01 0.00 0.00 177.57 176.97 3ddf h ALA 312 N 1.48 0.38 -0.30 3.17 0.00 -1.85 0.16 119.26 122.29 3ddf h ALA 312 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3ddf h ALA 312 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ddf h ALA 312 CO 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 3ddf h ALA 313 N 0.89 0.41 -0.56 0.00 0.00 -1.79 -0.72 119.26 117.49 3ddf h ALA 313 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ddf h ALA 313 Cb 0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ddf h ALA 313 CO 0.00 0.19 0.34 0.00 0.00 0.00 0.00 179.25 179.79 3ddf h ARG 314 N 0.34 0.65 -0.45 0.00 2.47 -1.07 -2.41 114.38 113.91 3ddf h ARG 314 Ca 0.08 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 3ddf h ARG 314 Cb 0.49 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 3ddf h ARG 314 CO 0.02 0.43 -0.03 0.77 0.56 0.00 0.00 179.97 181.73 3ddf h SER 315 N 0.67 0.72 -0.39 7.04 0.02 -0.80 -1.46 113.55 119.36 3ddf h SER 315 Ca 0.23 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3ddf h SER 315 Cb 0.02 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 3ddf h SER 315 CO -0.10 0.81 0.12 0.44 -1.14 0.00 0.00 176.83 176.95 3ddf h ASP 316 N 0.70 0.10 -0.31 3.07 3.45 -0.80 0.14 116.42 122.77 3ddf h ASP 316 Ca 0.13 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 3ddf h ASP 316 Cb 0.47 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 3ddf h ASP 316 CO 0.02 0.09 0.02 -0.07 -1.57 0.00 0.00 179.24 177.73 3ddf h LEU 317 N 0.26 0.53 -0.16 1.55 3.38 -1.16 -2.60 115.31 117.10 3ddf h LEU 317 Ca 0.18 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3ddf h LEU 317 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ddf h LEU 317 CO -0.20 0.69 -0.18 0.25 0.09 0.00 0.00 178.44 179.09 3ddf h LEU 318 N 0.35 0.44 -1.26 1.67 5.85 -0.95 -2.54 115.31 118.88 3ddf h LEU 318 Ca 0.09 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 3ddf h LEU 318 Cb 0.41 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3ddf h LEU 318 CO 0.01 0.83 0.19 0.58 -0.34 0.00 0.00 178.44 179.72 3ddf h VAL 319 N 0.05 1.18 -0.79 1.05 2.07 -0.80 -0.16 116.25 118.85 3ddf h VAL 319 Ca 0.02 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3ddf h VAL 319 Cb 0.72 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3ddf h VAL 319 CO 0.04 0.23 0.35 -0.78 0.02 0.00 0.00 177.57 177.43 3ddf h ASP 320 N 0.70 1.06 -0.31 0.57 1.82 -1.36 0.12 116.42 119.03 3ddf h ASP 320 Ca 0.17 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 3ddf h ASP 320 Cb 0.15 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 3ddf h ASP 320 CO -0.02 0.92 0.16 1.56 -1.61 0.00 0.00 179.24 180.26 3ddf h GLN 321 N 1.14 0.43 -0.69 0.28 1.08 -0.93 -1.91 115.11 114.51 3ddf h GLN 321 Ca 0.27 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.46 3ddf h GLN 321 Cb 0.16 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 3ddf h GLN 321 CO -0.03 0.38 0.41 -1.49 -0.95 0.00 0.00 178.83 177.16 3ddf h TRP 322 N 0.37 0.77 -0.07 2.96 6.55 -0.51 -1.22 115.95 124.80 3ddf h TRP 322 Ca 0.11 0.02 -0.11 0.00 0.95 0.00 0.00 58.89 59.86 3ddf h TRP 322 Cb 0.08 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.13 3ddf h TRP 322 CO -0.03 0.41 -0.46 0.87 -1.05 0.00 0.00 178.44 178.19 3ddf h LYS 323 N 0.79 0.17 -0.08 0.49 1.57 -0.65 0.51 116.57 119.37 3ddf h LYS 323 Ca 0.29 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3ddf h LYS 323 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ddf h LYS 323 CO -0.14 0.60 0.01 0.87 -0.57 0.00 0.00 179.45 180.22 3ddf h LYS 324 N 0.14 0.13 -0.76 3.15 1.57 -1.00 -2.73 116.57 117.07 3ddf h LYS 324 Ca 0.01 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3ddf h LYS 324 Cb 0.86 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 3ddf h LYS 324 CO 0.07 0.35 0.43 -0.22 -0.57 0.00 0.00 179.45 179.50 3ddf h LYS 325 N -0.11 0.73 0.00 3.15 3.64 -0.90 -1.79 116.57 121.29 3ddf h LYS 325 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3ddf h LYS 325 Cb 0.28 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3ddf h LYS 325 CO 0.00 0.48 -0.04 0.00 -2.27 0.00 0.00 179.45 177.63 3ddf h ALA 326 N 1.41 1.50 0.00 5.00 0.00 -0.81 -1.70 119.26 124.66 3ddf h ALA 326 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ddf h ALA 326 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ddf h ALA 326 CO -0.22 0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.01 3ddf h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -1.00 -2.65 114.58 115.31 3ddf h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ddf h GLU 327 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3ddf h GLU 327 CO 0.00 0.00 -0.12 1.28 -1.16 0.00 0.00 179.01 179.01 3ddf n LEU 328 N -2.76 1.01 -4.35 1.33 4.77 -0.64 -4.91 117.00 111.45 3ddf n LEU 328 Ca -0.01 -0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 55.52 3ddf n LEU 328 Cb 0.14 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 3ddf n LEU 328 CO 0.19 0.18 -0.32 -0.31 -1.33 0.00 0.00 177.39 175.81 3ddf s TYR 329 N -2.29 1.65 -0.30 -1.77 1.51 -1.00 -4.44 117.35 110.70 3ddf s TYR 329 Ca 0.31 -0.94 0.22 0.00 -1.01 0.00 0.00 57.07 55.66 3ddf s TYR 329 Cb 0.20 -0.98 -0.24 0.00 -0.11 0.00 0.00 41.96 40.84 3ddf s TYR 329 CO 0.44 -0.04 0.68 0.54 -1.11 0.00 0.00 175.55 176.06 3ddf n ARG 330 N -0.47 0.49 -3.55 -0.62 1.74 -1.26 -4.97 116.66 108.01 3ddf n ARG 330 Ca -0.04 -0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.70 3ddf n ARG 330 Cb 0.64 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.54 3ddf n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ddf s THR 331 N -3.37 2.09 -0.38 0.55 -4.23 -1.26 -4.70 115.64 104.34 3ddf s THR 331 Ca -0.03 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 3ddf s THR 331 Cb 0.14 -2.40 0.50 0.00 1.34 0.00 0.00 72.50 72.08 3ddf s THR 331 CO 0.88 0.00 1.50 -0.46 -0.54 0.00 0.00 174.62 176.00 3ddf n ASN 332 N -1.83 3.82 -4.16 3.99 6.94 -1.26 -4.84 115.26 117.91 3ddf n ASN 332 Ca 0.05 -2.89 -0.33 0.00 -0.02 0.00 0.00 54.58 51.39 3ddf n ASN 332 Cb 0.63 -0.68 -0.16 0.00 -2.36 0.00 0.00 39.78 37.20 3ddf n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ddf s VAL 333 N -2.21 2.21 -0.09 3.53 1.01 -1.26 -0.60 120.40 122.98 3ddf s VAL 333 Ca 0.38 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ddf s VAL 333 Cb 0.31 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3ddf s VAL 333 CO 0.09 0.53 -0.21 -0.22 0.00 0.00 0.00 175.10 175.29 3ddf s LEU 334 N 1.13 2.30 -0.21 3.92 2.96 0.56 -4.96 118.68 124.38 3ddf s LEU 334 Ca 0.01 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.31 3ddf s LEU 334 Cb -0.14 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3ddf s LEU 334 CO -0.08 0.20 0.39 -0.22 -1.32 0.00 0.00 176.35 175.32 3ddf s LEU 335 N 0.13 4.13 -0.45 -0.68 2.96 -1.26 -0.94 118.68 122.57 3ddf s LEU 335 Ca -0.11 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3ddf s LEU 335 Cb -0.16 -2.49 0.13 0.00 0.50 0.00 0.00 46.19 44.16 3ddf s LEU 335 CO 0.06 -0.09 0.21 -0.63 -1.32 0.00 0.00 176.35 174.58 3ddf s ILE 336 N 1.44 1.97 0.54 6.68 -1.09 0.20 -4.97 121.20 125.97 3ddf s ILE 336 Ca 0.18 -2.77 -0.22 0.00 -2.23 0.00 0.00 60.65 55.61 3ddf s ILE 336 Cb -0.15 -2.39 -0.05 0.00 -1.58 0.00 0.00 42.46 38.29 3ddf s ILE 336 CO 0.08 -0.80 1.37 -2.84 -1.23 0.00 0.00 174.94 171.52 3ddf s PRO 337 N 0.24 3.16 -0.38 2.79 0.02 -1.26 -0.78 135.00 138.79 3ddf s PRO 337 Ca 0.16 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.45 3ddf s PRO 337 Cb -0.24 -2.28 0.13 0.00 0.02 0.00 0.00 34.50 32.13 3ddf s PRO 337 CO -0.03 -1.18 0.21 -1.17 -0.33 0.00 0.00 177.00 174.50 3ddf s LEU 338 N -3.48 1.79 0.00 -5.54 2.96 -0.00 -4.75 118.68 109.65 3ddf s LEU 338 Ca 0.71 -2.26 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 3ddf s LEU 338 Cb -0.41 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.58 3ddf s LEU 338 CO 0.49 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 3ddf n GLY 339 N 3.99 -1.43 1.68 7.98 0.00 -1.26 -1.61 105.19 114.55 3ddf n GLY 339 Ca 0.08 -1.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 3ddf n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ddf n ASP 340 N 0.64 -0.65 -4.71 1.61 -0.08 -1.25 -3.40 116.55 108.71 3ddf n ASP 340 Ca 0.00 -1.27 -0.42 0.00 -1.51 0.00 0.00 54.79 51.59 3ddf n ASP 340 Cb 0.00 1.04 -0.03 0.00 2.34 0.00 0.00 41.12 44.47 3ddf n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3ddf s ASP 341 N -2.12 6.58 -1.44 1.67 1.11 -1.26 -1.18 116.67 120.02 3ddf s ASP 341 Ca 0.11 2.58 -0.12 0.00 0.18 0.00 0.00 52.55 55.31 3ddf s ASP 341 Cb -0.01 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.48 3ddf s ASP 341 CO 0.01 -0.86 0.68 0.49 1.18 0.00 0.00 175.17 176.67 3ddf n PHE 342 N 4.63 -1.94 -1.77 4.23 3.01 0.28 -4.80 117.46 121.10 3ddf n PHE 342 Ca 0.15 0.64 -0.29 0.00 1.01 0.00 0.00 57.45 58.96 3ddf n PHE 342 Cb 0.39 -3.37 0.10 0.00 -0.01 0.00 0.00 39.48 36.59 3ddf n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3ddf s ARG 343 N -6.29 1.78 -1.06 -1.08 1.81 -1.15 -4.45 118.95 108.51 3ddf s ARG 343 Ca 0.52 0.22 -0.02 0.00 -1.72 0.00 0.00 55.73 54.73 3ddf s ARG 343 Cb -0.27 -1.92 0.00 0.00 -0.45 0.00 0.00 34.95 32.32 3ddf s ARG 343 CO 0.64 -1.74 0.90 1.19 -0.68 0.00 0.00 175.30 175.60 3ddf n PHE 344 N -3.44 -2.01 -0.00 -0.53 3.01 -1.26 -4.74 117.46 108.48 3ddf n PHE 344 Ca 0.07 0.83 -0.00 0.00 1.01 0.00 0.00 57.45 59.36 3ddf n PHE 344 Cb 0.60 -4.64 -0.00 0.00 -0.01 0.00 0.00 39.48 35.43 3ddf n PHE 344 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3ddf h LYS 345 N -1.78 0.00 -7.04 -1.08 3.64 -1.89 -3.40 116.57 105.02 3ddf h LYS 345 Ca -0.51 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.43 3ddf h LYS 345 Cb 1.30 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3ddf h LYS 345 CO 0.44 0.00 0.35 -0.65 -2.27 0.00 0.00 179.45 177.32 3ddf s GLN 346 N -1.09 4.23 0.28 1.90 -0.21 -1.26 -4.41 119.66 119.10 3ddf s GLN 346 Ca -0.01 1.17 0.01 0.00 0.02 0.00 0.00 55.36 56.55 3ddf s GLN 346 Cb 0.00 -2.24 0.56 0.00 1.00 0.00 0.00 33.01 32.33 3ddf s GLN 346 CO 0.01 -0.04 1.82 -0.91 -2.12 0.00 0.00 175.29 174.06 3ddf h ASN 347 N 2.01 0.87 0.14 5.90 2.35 -1.95 -0.84 115.58 124.06 3ddf h ASN 347 Ca -0.49 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.28 3ddf h ASN 347 Cb 1.19 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 3ddf h ASN 347 CO 0.61 0.44 -0.16 0.71 -1.65 0.00 0.00 177.43 177.38 3ddf h THR 348 N 0.93 1.14 -0.18 2.81 1.35 -1.99 -1.71 112.91 115.26 3ddf h THR 348 Ca 0.49 -0.66 -0.13 0.00 -0.55 0.00 0.00 66.41 65.57 3ddf h THR 348 Cb 0.53 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3ddf h THR 348 CO -0.28 0.19 -0.38 -0.08 -0.25 0.00 0.00 175.52 174.72 3ddf h GLU 349 N 0.06 0.57 -0.47 4.72 4.81 -1.54 -1.02 114.58 121.70 3ddf h GLU 349 Ca 0.01 -0.38 0.09 0.00 -0.13 0.00 0.00 59.36 58.95 3ddf h GLU 349 Cb 0.33 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 3ddf h GLU 349 CO 0.02 0.99 0.02 -1.49 -0.73 0.00 0.00 179.01 177.82 3ddf h TRP 350 N 0.23 0.00 -0.24 0.92 4.06 -1.03 -2.02 115.95 117.87 3ddf h TRP 350 Ca 0.00 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 3ddf h TRP 350 Cb 0.98 0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 3ddf h TRP 350 CO 0.09 -0.09 0.09 -0.44 -3.56 0.00 0.00 178.44 174.53 3ddf h ASP 351 N 0.13 0.34 -0.12 -3.49 3.32 -1.24 -1.00 116.42 114.35 3ddf h ASP 351 Ca 0.24 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 3ddf h ASP 351 Cb 0.35 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3ddf h ASP 351 CO -0.38 0.43 -0.26 1.62 -1.72 0.00 0.00 179.24 178.93 3ddf h VAL 352 N 0.23 1.27 -0.02 -1.35 3.04 -0.90 -0.35 116.25 118.16 3ddf h VAL 352 Ca 0.08 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.43 3ddf h VAL 352 Cb 0.20 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3ddf h VAL 352 CO -0.00 0.42 -0.08 1.56 -1.01 0.00 0.00 177.57 178.46 3ddf h GLN 353 N 0.50 0.10 0.00 4.17 1.08 -1.34 -3.16 115.11 116.46 3ddf h GLN 353 Ca 0.07 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ddf h GLN 353 Cb 0.71 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3ddf h GLN 353 CO 0.05 0.71 -0.00 -0.09 -0.95 0.00 0.00 178.83 178.55 3ddf h ARG 354 N -0.49 -0.00 -0.41 1.46 2.43 -1.02 -2.10 114.38 114.25 3ddf h ARG 354 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3ddf h ARG 354 Cb 0.72 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3ddf h ARG 354 CO 0.02 0.10 -0.29 -0.24 -1.51 0.00 0.00 179.97 178.05 3ddf h VAL 355 N -0.10 1.27 -0.31 0.20 3.04 -1.21 0.96 116.25 120.11 3ddf h VAL 355 Ca -0.00 -1.45 -0.08 0.00 -1.01 0.00 0.00 66.70 64.17 3ddf h VAL 355 Cb 0.10 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 3ddf h VAL 355 CO 0.00 0.49 -0.11 0.78 -1.01 0.00 0.00 177.57 177.72 3ddf h ASN 356 N 0.75 0.63 -0.67 3.17 2.35 -1.53 -1.89 115.58 118.39 3ddf h ASN 356 Ca 0.08 -0.38 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 3ddf h ASN 356 Cb 0.85 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3ddf h ASN 356 CO 0.07 0.87 0.14 1.88 -1.65 0.00 0.00 177.43 178.75 3ddf h TYR 357 N 0.39 1.15 -0.97 1.19 -1.99 -1.25 -2.14 116.97 113.35 3ddf h TYR 357 Ca 0.08 -0.14 0.05 0.00 2.00 0.00 0.00 58.73 60.71 3ddf h TYR 357 Cb 0.61 -0.32 -0.06 0.00 2.00 0.00 0.00 36.73 38.96 3ddf h TYR 357 CO 0.05 0.95 0.63 0.93 -0.00 0.00 0.00 178.16 180.72 3ddf h GLU 358 N 1.03 1.15 -0.71 4.88 5.08 -0.59 0.91 114.58 126.33 3ddf h GLU 358 Ca 0.21 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3ddf h GLU 358 Cb 0.39 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ddf h GLU 358 CO 0.01 0.76 0.16 0.00 -1.00 0.00 0.00 179.01 178.94 3ddf h ARG 359 N 1.19 1.14 -0.23 2.33 3.08 -1.03 -0.63 114.38 120.23 3ddf h ARG 359 Ca 0.40 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3ddf h ARG 359 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3ddf h ARG 359 CO -0.15 1.01 0.07 -0.07 -1.07 0.00 0.00 179.97 179.77 3ddf h LEU 360 N 1.08 0.33 -0.71 3.04 3.38 -0.79 -2.18 115.31 119.46 3ddf h LEU 360 Ca 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3ddf h LEU 360 Cb 0.39 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3ddf h LEU 360 CO 0.00 0.45 0.36 -0.26 0.09 0.00 0.00 178.44 179.08 3ddf h PHE 361 N 0.20 1.00 -0.55 1.13 0.05 -0.58 -0.25 116.94 117.94 3ddf h PHE 361 Ca 0.07 -0.04 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 3ddf h PHE 361 Cb 0.23 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.84 3ddf h PHE 361 CO 0.00 0.72 0.34 1.49 -0.18 0.00 0.00 178.31 180.68 3ddf h GLU 362 N 0.98 0.75 0.33 1.51 4.81 -0.99 -0.33 114.58 121.64 3ddf h GLU 362 Ca 0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3ddf h GLU 362 Cb 0.08 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3ddf h GLU 362 CO -0.03 0.53 -0.16 1.25 -0.73 0.00 0.00 179.01 179.87 3ddf h HIS 363 N 0.74 -0.41 -0.51 0.92 2.76 -1.04 -3.08 115.15 114.53 3ddf h HIS 363 Ca 0.20 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3ddf h HIS 363 Cb -0.03 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3ddf h HIS 363 CO -0.03 -0.09 0.33 0.82 -1.30 0.00 0.00 177.93 177.66 3ddf h ILE 364 N -0.74 1.12 0.00 6.26 2.04 -0.92 -2.03 117.51 123.24 3ddf h ILE 364 Ca -0.04 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3ddf h ILE 364 Cb 0.50 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3ddf h ILE 364 CO 0.07 0.12 0.00 0.78 0.00 0.00 0.00 178.15 179.13 3ddf h ASN 365 N 0.68 0.00 0.08 1.72 2.35 -1.15 -2.60 115.58 116.66 3ddf h ASN 365 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3ddf h ASN 365 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3ddf h ASN 365 CO -0.05 0.00 -0.48 -1.54 -1.65 0.00 0.00 177.43 173.71 3ddf n SER 366 N -2.68 1.58 -4.25 5.81 3.41 -0.80 -4.79 113.62 111.90 3ddf n SER 366 Ca 0.02 -1.23 -0.43 0.00 -0.26 0.00 0.00 58.87 56.97 3ddf n SER 366 Cb 0.33 0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 3ddf n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ddf s GLN 367 N -2.57 2.66 0.50 4.33 -1.52 -0.95 -4.94 119.66 117.16 3ddf s GLN 367 Ca 0.19 -1.74 0.15 0.00 -1.95 0.00 0.00 55.36 52.01 3ddf s GLN 367 Cb 0.18 -4.05 1.19 0.00 -0.22 0.00 0.00 33.01 30.11 3ddf s GLN 367 CO 0.60 -1.24 2.11 0.00 -0.25 0.00 0.00 175.29 176.50 3ddf h ALA 368 N 8.60 2.01 -0.01 6.09 0.00 -1.86 -1.97 119.26 132.12 3ddf h ALA 368 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ddf h ALA 368 Cb 1.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ddf h ALA 368 CO 0.92 -0.03 0.01 1.12 0.00 0.00 0.00 179.25 181.27 3ddf h HIS 369 N 0.13 0.00 0.00 0.00 2.07 -1.93 -0.39 115.15 115.02 3ddf h HIS 369 Ca 0.07 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.47 3ddf h HIS 369 Cb 0.14 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.10 3ddf h HIS 369 CO -0.00 0.00 -0.58 0.74 -3.07 0.00 0.00 177.93 175.02 3ddf h PHE 370 N 0.00 0.00 -6.17 6.12 0.05 -1.66 -3.48 116.94 111.80 3ddf h PHE 370 Ca 0.00 0.00 -0.44 0.00 3.82 0.00 0.00 57.97 61.36 3ddf h PHE 370 Cb 0.02 0.00 0.03 0.00 2.00 0.00 0.00 35.95 38.00 3ddf h PHE 370 CO 0.00 0.58 -0.82 0.09 -0.18 0.00 0.00 178.31 177.98 3ddf n ASN 371 N -3.48 -1.71 -4.12 2.17 3.02 -0.16 -4.87 115.26 106.12 3ddf n ASN 371 Ca 0.00 -0.83 -0.22 0.00 -0.03 0.00 0.00 54.58 53.50 3ddf n ASN 371 Cb 0.67 -3.92 -0.15 0.00 -0.61 0.00 0.00 39.78 35.77 3ddf n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ddf s VAL 372 N -3.63 1.10 -0.24 2.41 1.01 -1.26 -0.81 120.40 118.98 3ddf s VAL 372 Ca 0.12 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3ddf s VAL 372 Cb -0.06 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.44 3ddf s VAL 372 CO 0.82 0.24 -0.09 -1.58 0.00 0.00 0.00 175.10 174.49 3ddf s GLN 373 N -0.53 1.98 0.03 2.72 2.00 -0.30 -4.35 119.66 121.21 3ddf s GLN 373 Ca 0.04 -1.11 0.07 0.00 -2.00 0.00 0.00 55.36 52.37 3ddf s GLN 373 Cb -0.06 -2.68 -0.03 0.00 0.80 0.00 0.00 33.01 31.04 3ddf s GLN 373 CO -0.00 -0.55 -0.19 0.00 -0.50 0.00 0.00 175.29 174.05 3ddf s ALA 374 N 1.27 2.54 0.17 1.58 0.00 -1.26 -1.10 121.76 124.96 3ddf s ALA 374 Ca -0.06 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.50 3ddf s ALA 374 Cb -0.19 -0.72 0.07 0.00 0.00 0.00 0.00 23.12 22.28 3ddf s ALA 374 CO -0.06 0.56 0.60 1.14 0.00 0.00 0.00 175.76 178.00 3ddf s GLN 375 N -1.28 1.30 0.42 0.00 -2.07 -0.60 -4.89 119.66 112.53 3ddf s GLN 375 Ca 0.14 -0.51 -0.25 0.00 -1.82 0.00 0.00 55.36 52.91 3ddf s GLN 375 Cb -0.10 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.32 3ddf s GLN 375 CO 0.04 -0.57 1.26 -0.06 -1.32 0.00 0.00 175.29 174.65 3ddf s PHE 376 N -3.76 2.84 0.33 9.60 2.99 -1.26 -1.00 117.98 127.72 3ddf s PHE 376 Ca 0.02 1.45 -0.06 0.00 0.00 0.00 0.00 56.93 58.34 3ddf s PHE 376 Cb -0.01 -3.59 0.01 0.00 0.00 0.00 0.00 43.02 39.42 3ddf s PHE 376 CO -0.12 -1.92 0.50 0.20 -0.00 0.00 0.00 175.22 173.88 3ddf s GLY 377 N -0.90 1.19 0.45 4.36 0.00 -0.03 -4.79 107.32 107.61 3ddf s GLY 377 Ca 0.59 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 44.05 3ddf s GLY 377 CO 0.45 -0.87 0.37 -0.51 0.00 0.00 0.00 173.10 172.55 3ddf s THR 378 N -3.18 2.41 0.13 0.90 -4.23 -1.26 -4.18 115.64 106.21 3ddf s THR 378 Ca 0.28 -1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 59.23 3ddf s THR 378 Cb -0.01 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 3ddf s THR 378 CO 0.17 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 176.10 3ddf h LEU 379 N 1.00 0.65 -1.18 4.79 5.85 -1.96 -2.46 115.31 122.01 3ddf h LEU 379 Ca -0.40 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 3ddf h LEU 379 Cb 1.27 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3ddf h LEU 379 CO 0.58 0.76 0.05 -0.61 -0.34 0.00 0.00 178.44 178.88 3ddf h GLN 380 N 0.52 0.62 -0.68 1.25 5.75 -1.96 -1.88 115.11 118.73 3ddf h GLN 380 Ca 0.12 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3ddf h GLN 380 Cb 0.39 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 3ddf h GLN 380 CO 0.01 0.61 0.41 0.93 -2.65 0.00 0.00 178.83 178.14 3ddf h GLU 381 N 0.59 0.93 0.22 1.69 5.08 -1.91 0.39 114.58 121.57 3ddf h GLU 381 Ca 0.13 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3ddf h GLU 381 Cb 0.31 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3ddf h GLU 381 CO 0.01 0.66 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.48 3ddf h TYR 382 N 0.93 -0.74 -0.76 4.33 3.20 -0.96 -2.29 116.97 120.68 3ddf h TYR 382 Ca 0.25 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 3ddf h TYR 382 Cb -0.03 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3ddf h TYR 382 CO -0.01 -0.39 0.27 0.74 -1.64 0.00 0.00 178.16 177.12 3ddf h PHE 383 N -0.55 1.19 -0.74 -3.82 0.05 -1.10 -0.70 116.94 111.26 3ddf h PHE 383 Ca 0.01 -0.10 0.05 0.00 3.82 0.00 0.00 57.97 61.74 3ddf h PHE 383 Cb 0.53 -0.35 -0.05 0.00 2.00 0.00 0.00 35.95 38.08 3ddf h PHE 383 CO -0.20 0.92 0.45 -0.44 -0.18 0.00 0.00 178.31 178.85 3ddf h ASP 384 N 1.12 0.71 -0.11 2.17 3.32 -0.83 -1.20 116.42 121.60 3ddf h ASP 384 Ca 0.25 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 3ddf h ASP 384 Cb 0.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ddf h ASP 384 CO -0.01 0.47 -0.50 0.00 -1.72 0.00 0.00 179.24 177.47 3ddf h ALA 385 N 1.35 0.66 -0.37 3.45 0.00 -0.80 -0.40 119.26 123.15 3ddf h ALA 385 Ca 0.32 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ddf h ALA 385 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ddf h ALA 385 CO -0.15 0.68 0.13 0.28 0.00 0.00 0.00 179.25 180.19 3ddf h VAL 386 N 0.53 0.90 0.00 0.00 2.07 -0.76 -1.98 116.25 117.01 3ddf h VAL 386 Ca 0.02 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3ddf h VAL 386 Cb 1.06 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3ddf h VAL 386 CO 0.10 0.05 -0.39 0.45 0.02 0.00 0.00 177.57 177.80 3ddf h HIS 387 N 0.28 0.00 -0.69 1.57 -0.00 -0.98 -0.62 115.15 114.71 3ddf h HIS 387 Ca 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 3ddf h HIS 387 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 3ddf h HIS 387 CO -0.14 0.39 0.20 1.96 -0.00 0.00 0.00 177.93 180.34 3ddf h GLN 388 N 0.00 1.07 -0.53 2.45 4.20 -0.77 -0.55 115.11 120.98 3ddf h GLN 388 Ca -0.00 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.41 3ddf h GLN 388 Cb 1.05 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3ddf h GLN 388 CO 0.05 0.92 0.05 0.00 -0.67 0.00 0.00 178.83 179.18 3ddf h ALA 389 N 1.19 0.71 -0.10 3.87 0.00 -0.79 -1.60 119.26 122.54 3ddf h ALA 389 Ca 0.22 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ddf h ALA 389 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ddf h ALA 389 CO -0.00 0.48 -0.01 1.49 0.00 0.00 0.00 179.25 181.21 3ddf h GLU 390 N 0.78 0.03 -0.20 0.00 4.81 -0.88 -1.29 114.58 117.82 3ddf h GLU 390 Ca 0.16 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ddf h GLU 390 Cb 0.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3ddf h GLU 390 CO 0.02 0.02 0.02 0.00 -0.73 0.00 0.00 179.01 178.33 3ddf h ARG 391 N 0.03 0.28 0.00 1.92 3.08 -0.94 -0.22 114.38 118.52 3ddf h ARG 391 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ddf h ARG 391 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ddf h ARG 391 CO -0.08 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3ddf n ALA 392 N -2.50 2.49 -0.58 0.04 0.00 -0.61 -4.86 120.51 114.49 3ddf n ALA 392 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ddf n ALA 392 Cb 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3ddf n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddf n GLY 393 N 0.67 0.69 0.17 0.00 0.00 -0.09 -4.96 105.19 101.67 3ddf n GLY 393 Ca 0.20 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3ddf n GLY 393 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ddf h GLN 394 N 1.54 0.00 -2.36 1.61 4.15 -1.37 -3.47 115.11 115.21 3ddf h GLN 394 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 3ddf h GLN 394 Cb 0.00 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 27.50 3ddf h GLN 394 CO 0.00 0.33 0.03 0.00 -1.93 0.00 0.00 178.83 177.26 3ddf s ALA 395 N -3.15 -1.43 0.00 3.38 0.00 -1.26 -4.88 121.76 114.43 3ddf s ALA 395 Ca 0.04 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.03 3ddf s ALA 395 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3ddf s ALA 395 CO 0.71 -0.34 -0.17 -1.83 0.00 0.00 0.00 175.76 174.13 3ddf s GLU 396 N -1.26 1.28 -0.01 0.00 -1.05 -1.26 -4.64 118.70 111.76 3ddf s GLU 396 Ca -0.12 -0.66 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 3ddf s GLU 396 Cb -0.02 -1.27 -0.04 0.00 -0.44 0.00 0.00 34.13 32.37 3ddf s GLU 396 CO 0.08 0.34 -0.01 -0.06 0.95 0.00 0.00 175.26 176.56 3ddf s PHE 397 N -0.51 3.05 0.67 4.83 0.40 -1.26 -5.07 117.98 120.09 3ddf s PHE 397 Ca 0.06 0.07 -0.13 0.00 -0.60 0.00 0.00 56.93 56.33 3ddf s PHE 397 Cb -0.07 -1.67 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 3ddf s PHE 397 CO -0.00 0.44 1.07 -1.25 0.70 0.00 0.00 175.22 176.18 3ddf s PRO 398 N -1.46 2.95 0.11 0.24 0.04 -1.26 -4.78 135.00 130.84 3ddf s PRO 398 Ca 0.18 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.27 3ddf s PRO 398 Cb -0.11 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3ddf s PRO 398 CO 0.09 -1.10 0.37 0.95 0.04 0.00 0.00 177.00 177.35 3ddf s THR 399 N -2.77 5.16 -0.04 1.26 -4.23 -1.26 -0.74 115.64 113.02 3ddf s THR 399 Ca 0.61 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 3ddf s THR 399 Cb -0.16 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.07 3ddf s THR 399 CO 0.48 0.14 0.14 -0.22 -0.54 0.00 0.00 174.62 174.63 3ddf s LEU 400 N -2.35 1.47 0.13 4.79 0.20 -0.57 -1.33 118.68 121.02 3ddf s LEU 400 Ca 0.37 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.42 3ddf s LEU 400 Cb -0.13 0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 46.12 3ddf s LEU 400 CO 0.22 -0.11 -0.08 -0.94 -0.29 0.00 0.00 176.35 175.15 3ddf s SER 401 N -0.20 1.52 0.00 3.68 1.04 -0.45 -1.19 113.70 118.10 3ddf s SER 401 Ca -0.03 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3ddf s SER 401 Cb -0.02 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3ddf s SER 401 CO 0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3ddf n GLY 402 N -0.15 0.33 3.64 7.32 0.00 -1.26 -1.11 105.19 113.96 3ddf n GLY 402 Ca -0.11 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 3ddf n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ddf s ASP 403 N -4.00 3.48 -0.40 1.61 -4.77 -1.26 -4.37 116.67 106.96 3ddf s ASP 403 Ca 0.00 -1.70 0.10 0.00 -3.30 0.00 0.00 52.55 47.65 3ddf s ASP 403 Cb 0.00 0.58 0.43 0.00 -1.09 0.00 0.00 42.92 42.84 3ddf s ASP 403 CO 0.00 -0.93 1.04 0.49 0.70 0.00 0.00 175.17 176.47 3ddf n PHE 404 N -1.10 2.56 -4.40 2.11 3.01 -0.29 -4.90 117.46 114.45 3ddf n PHE 404 Ca -0.13 -3.03 -0.25 0.00 1.01 0.00 0.00 57.45 55.05 3ddf n PHE 404 Cb 0.66 -0.20 -0.12 0.00 -0.01 0.00 0.00 39.48 39.81 3ddf n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3ddf s PHE 405 N -3.37 2.17 -0.08 1.38 0.40 -1.26 -2.61 117.98 114.60 3ddf s PHE 405 Ca 0.40 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 3ddf s PHE 405 Cb 0.42 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 3ddf s PHE 405 CO -0.10 0.45 0.43 0.95 0.70 0.00 0.00 175.22 177.65 3ddf s THR 406 N -1.76 5.14 0.38 0.64 -4.23 -1.26 -5.09 115.64 109.45 3ddf s THR 406 Ca 0.19 0.87 -0.27 0.00 -1.18 0.00 0.00 61.69 61.31 3ddf s THR 406 Cb -0.07 -3.76 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 3ddf s THR 406 CO 0.09 0.42 1.25 -0.47 -0.54 0.00 0.00 174.62 175.37 3ddf s TYR 407 N 0.03 3.00 -0.04 3.99 5.04 -1.26 -4.78 117.35 123.33 3ddf s TYR 407 Ca 0.24 1.47 0.02 0.00 -2.44 0.00 0.00 57.07 56.36 3ddf s TYR 407 Cb -0.15 -3.57 0.01 0.00 0.35 0.00 0.00 41.96 38.60 3ddf s TYR 407 CO 0.11 -1.71 -0.07 0.00 -1.34 0.00 0.00 175.55 172.54 3ddf s ALA 408 N -1.26 0.78 -0.19 3.97 0.00 -1.26 -0.66 121.76 123.14 3ddf s ALA 408 Ca 0.54 -0.19 0.20 0.00 0.00 0.00 0.00 51.96 52.51 3ddf s ALA 408 Cb -0.36 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 3ddf s ALA 408 CO 0.47 0.06 0.95 -0.40 0.00 0.00 0.00 175.76 176.84 3ddf n ASP 409 N 3.70 0.86 -3.55 0.00 5.75 -1.22 -2.69 116.55 119.40 3ddf n ASP 409 Ca -0.22 0.35 -0.11 0.00 -0.01 0.00 0.00 54.79 54.80 3ddf n ASP 409 Cb 0.52 0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.89 3ddf n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ddf s ARG 410 N -3.18 0.72 4.59 0.11 1.70 -1.26 -4.77 118.95 116.86 3ddf s ARG 410 Ca -0.02 0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 3ddf s ARG 410 Cb 0.09 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3ddf s ARG 410 CO 0.80 -0.25 0.00 0.45 -1.08 0.00 0.00 175.30 175.22 3ddf n SER 411 N 0.50 0.00 -1.63 -2.89 2.88 -1.26 -0.95 113.62 110.27 3ddf n SER 411 Ca -0.11 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.51 3ddf n SER 411 Cb 0.59 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.41 3ddf n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3ddf n ASP 412 N 2.95 5.15 -4.50 -3.46 5.75 -1.26 -4.86 116.55 116.33 3ddf n ASP 412 Ca 0.00 -2.81 -0.43 0.00 -0.01 0.00 0.00 54.79 51.53 3ddf n ASP 412 Cb 0.00 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.45 3ddf n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3ddf s ASN 413 N -1.01 6.89 -0.01 -1.12 0.02 -0.12 -4.97 114.94 114.60 3ddf s ASN 413 Ca 0.51 -2.56 -0.20 0.00 -1.02 0.00 0.00 52.86 49.59 3ddf s ASN 413 Cb 0.38 -2.46 -0.05 0.00 0.02 0.00 0.00 41.25 39.14 3ddf s ASN 413 CO 0.17 -0.97 0.57 -0.31 0.02 0.00 0.00 177.10 176.59 3ddf s TYR 414 N 2.68 3.67 -1.12 2.20 1.51 -1.26 -3.38 117.35 121.65 3ddf s TYR 414 Ca 0.44 1.16 -0.04 0.00 -1.01 0.00 0.00 57.07 57.61 3ddf s TYR 414 Cb -0.01 -2.59 0.16 0.00 -0.11 0.00 0.00 41.96 39.41 3ddf s TYR 414 CO -0.01 0.35 2.31 0.91 -1.11 0.00 0.00 175.55 178.00 3ddf n TRP 415 N 2.76 2.51 1.02 2.71 7.02 0.16 -2.91 117.44 130.71 3ddf n TRP 415 Ca -0.07 -2.62 0.11 0.00 -1.02 0.00 0.00 57.50 53.90 3ddf n TRP 415 Cb 0.51 -1.61 0.02 0.00 -2.42 0.00 0.00 31.31 27.81 3ddf n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3ddf n SER 416 N 1.13 1.19 -0.23 -0.99 3.41 -1.23 -4.36 113.62 112.54 3ddf n SER 416 Ca 0.57 -1.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.15 3ddf n SER 416 Cb 0.29 0.66 0.15 0.00 -0.26 0.00 0.00 64.21 65.05 3ddf n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ddf h GLY 417 N 4.95 1.12 1.39 5.00 0.00 -1.26 -2.93 103.07 111.34 3ddf h GLY 417 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3ddf h GLY 417 CO 0.00 0.53 0.00 1.58 0.00 0.00 0.00 176.54 178.65 3ddf n TYR 418 N -4.31 0.00 0.31 5.60 0.18 -1.08 -1.32 117.16 116.53 3ddf n TYR 418 Ca 0.07 0.00 0.16 0.00 1.88 0.00 0.00 57.90 60.01 3ddf n TYR 418 Cb 0.16 -0.20 0.73 0.00 -0.38 0.00 0.00 39.34 39.65 3ddf n TYR 418 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 3ddf h TYR 419 N 0.00 0.00 0.00 -3.48 0.99 -1.79 -3.33 116.97 109.36 3ddf h TYR 419 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ddf h TYR 419 Cb 0.15 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.88 3ddf h TYR 419 CO 0.00 0.00 -0.76 2.41 -0.00 0.00 0.00 178.16 179.81 3ddf n THR 420 N -2.71 0.00 -1.65 -2.88 -1.04 -0.43 -2.36 114.28 103.21 3ddf n THR 420 Ca -0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 3ddf n THR 420 Cb 0.19 -0.17 -0.01 0.00 -1.82 0.00 0.00 70.33 68.52 3ddf n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3ddf n SER 421 N -1.37 2.20 -3.48 8.00 7.64 -0.90 -2.75 113.62 122.95 3ddf n SER 421 Ca 0.00 1.19 -0.24 0.00 1.01 0.00 0.00 58.87 60.83 3ddf n SER 421 Cb 0.18 -1.40 0.06 0.00 -1.01 0.00 0.00 64.21 62.03 3ddf n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ddf n ARG 422 N 0.72 -1.76 0.27 1.43 3.00 -1.26 -4.05 116.66 115.01 3ddf n ARG 422 Ca 0.07 0.65 0.15 0.00 -0.01 0.00 0.00 57.85 58.71 3ddf n ARG 422 Cb 0.34 -4.93 0.72 0.00 0.00 0.00 0.00 32.46 28.59 3ddf n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3ddf h PRO 423 N -1.52 0.00 -0.45 5.56 0.13 -1.84 -2.51 132.00 131.37 3ddf h PRO 423 Ca -0.64 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.54 3ddf h PRO 423 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 3ddf h PRO 423 CO 0.46 0.08 0.17 -0.92 -0.23 0.00 0.00 178.00 177.57 3ddf h TYR 424 N 0.00 0.31 0.01 1.56 3.20 -1.90 -1.31 116.97 118.84 3ddf h TYR 424 Ca -0.00 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 3ddf h TYR 424 Cb 0.46 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3ddf h TYR 424 CO 0.00 0.12 -0.90 0.45 -1.64 0.00 0.00 178.16 176.20 3ddf h HIS 425 N 0.35 0.10 -0.62 -3.82 3.86 -1.83 -0.69 115.15 112.51 3ddf h HIS 425 Ca 0.21 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3ddf h HIS 425 Cb 0.18 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 3ddf h HIS 425 CO -0.14 0.92 0.35 0.87 0.86 0.00 0.00 177.93 180.79 3ddf h LYS 426 N 0.03 0.65 -0.42 2.45 1.57 -1.27 -0.67 116.57 118.91 3ddf h LYS 426 Ca -0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3ddf h LYS 426 Cb 1.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 3ddf h LYS 426 CO 0.12 0.43 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.34 3ddf h ARG 427 N 0.67 0.74 -0.81 3.15 9.65 -1.04 -3.04 114.38 123.70 3ddf h ARG 427 Ca 0.27 -0.24 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 3ddf h ARG 427 Cb 0.13 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 3ddf h ARG 427 CO -0.15 0.82 0.53 1.98 2.80 0.00 0.00 179.97 185.95 3ddf h MET 428 N 0.57 0.82 -0.60 0.20 4.05 -0.86 -1.58 114.93 117.53 3ddf h MET 428 Ca 0.12 -0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.58 3ddf h MET 428 Cb 0.49 -0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.04 3ddf h MET 428 CO 0.02 0.54 0.21 0.22 0.23 0.00 0.00 176.91 178.14 3ddf h ASP 429 N 0.84 0.20 0.05 1.39 1.82 -1.01 -0.12 116.42 119.59 3ddf h ASP 429 Ca 0.36 0.08 -0.14 0.00 -0.39 0.00 0.00 57.03 56.94 3ddf h ASP 429 Cb 0.30 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 3ddf h ASP 429 CO -0.13 0.12 -0.48 0.03 -1.61 0.00 0.00 179.24 177.17 3ddf h ARG 430 N 0.39 0.50 0.16 0.28 2.47 -1.31 0.20 114.38 117.07 3ddf h ARG 430 Ca 0.30 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3ddf h ARG 430 Cb 0.38 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3ddf h ARG 430 CO -0.31 0.87 -0.08 0.28 0.56 0.00 0.00 179.97 181.29 3ddf h VAL 431 N 0.40 0.93 -0.58 2.04 2.07 -0.94 -2.79 116.25 117.37 3ddf h VAL 431 Ca 0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3ddf h VAL 431 Cb 0.99 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3ddf h VAL 431 CO 0.09 0.09 0.28 0.25 0.02 0.00 0.00 177.57 178.30 3ddf h LEU 432 N -0.40 0.74 -0.43 2.57 5.85 -0.97 -1.41 115.31 121.26 3ddf h LEU 432 Ca -0.02 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.72 3ddf h LEU 432 Cb 0.32 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 3ddf h LEU 432 CO 0.04 0.63 -0.22 -0.03 -0.34 0.00 0.00 178.44 178.51 3ddf h MET 433 N 0.82 -0.13 -0.51 1.25 4.05 -0.87 0.20 114.93 119.74 3ddf h MET 433 Ca 0.20 0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.51 3ddf h MET 433 Cb 0.09 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 3ddf h MET 433 CO -0.03 -0.09 -0.18 1.25 0.23 0.00 0.00 176.91 178.10 3ddf h HIS 434 N -0.14 1.16 -0.37 1.39 -0.00 -1.16 -2.44 115.15 113.58 3ddf h HIS 434 Ca 0.21 -0.27 -0.08 0.00 -0.00 0.00 0.00 60.37 60.23 3ddf h HIS 434 Cb 0.46 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 3ddf h HIS 434 CO -0.47 1.10 -0.11 1.88 -0.00 0.00 0.00 177.93 180.32 3ddf h TYR 435 N 0.88 0.70 0.19 5.26 -1.99 -0.81 0.15 116.97 121.36 3ddf h TYR 435 Ca 0.12 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3ddf h TYR 435 Cb 0.76 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.30 3ddf h TYR 435 CO 0.05 0.73 -0.09 0.28 -0.00 0.00 0.00 178.16 179.13 3ddf h VAL 436 N 0.59 0.86 -0.34 -2.88 2.07 -0.94 0.05 116.25 115.66 3ddf h VAL 436 Ca 0.11 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3ddf h VAL 436 Cb 0.54 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3ddf h VAL 436 CO 0.03 0.07 -0.00 -0.09 0.02 0.00 0.00 177.57 177.60 3ddf h ARG 437 N -0.40 0.09 -0.75 1.57 2.43 -1.10 -0.57 114.38 115.66 3ddf h ARG 437 Ca -0.03 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3ddf h ARG 437 Cb 0.31 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3ddf h ARG 437 CO 0.04 0.06 0.23 0.00 -1.51 0.00 0.00 179.97 178.80 3ddf h ALA 438 N 1.30 1.00 -0.42 2.80 0.00 -0.88 -1.10 119.26 121.95 3ddf h ALA 438 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3ddf h ALA 438 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ddf h ALA 438 CO -0.28 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.55 3ddf h ALA 439 N 1.13 0.58 -0.58 0.00 0.00 -0.75 0.10 119.26 119.75 3ddf h ALA 439 Ca 0.24 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ddf h ALA 439 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ddf h ALA 439 CO -0.01 0.45 0.02 0.93 0.00 0.00 0.00 179.25 180.64 3ddf h GLU 440 N 0.63 1.02 0.09 0.00 5.08 -1.00 -2.43 114.58 117.98 3ddf h GLU 440 Ca 0.11 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3ddf h GLU 440 Cb 0.61 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ddf h GLU 440 CO 0.04 1.00 -0.05 1.98 -1.00 0.00 0.00 179.01 180.98 3ddf h MET 441 N 0.91 -0.12 -0.95 2.33 4.05 -1.10 -2.12 114.93 117.93 3ddf h MET 441 Ca 0.17 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 3ddf h MET 441 Cb 0.52 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 3ddf h MET 441 CO 0.03 0.24 0.63 -0.07 0.23 0.00 0.00 176.91 177.96 3ddf h LEU 442 N -0.51 1.05 0.00 3.39 3.38 -1.01 -2.19 115.31 119.42 3ddf h LEU 442 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ddf h LEU 442 Cb 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ddf h LEU 442 CO 0.02 0.73 -0.25 -1.54 0.09 0.00 0.00 178.44 177.49 3ddf n SER 443 N -4.43 0.69 0.22 -0.43 3.41 -0.91 -3.81 113.62 108.36 3ddf n SER 443 Ca 0.12 0.37 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 3ddf n SER 443 Cb 0.08 -0.38 0.48 0.00 -0.26 0.00 0.00 64.21 64.13 3ddf n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ddf h ALA 444 N 2.58 1.14 0.00 7.33 0.00 -0.70 -3.17 119.26 126.43 3ddf h ALA 444 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3ddf h ALA 444 Cb 0.71 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ddf h ALA 444 CO 0.00 0.33 -0.08 -1.49 0.00 0.00 0.00 179.25 178.00 3ddf h TRP 445 N 0.00 0.00 -2.63 0.00 4.06 -1.66 -3.44 115.95 112.29 3ddf h TRP 445 Ca -0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 3ddf h TRP 445 Cb 0.66 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.66 3ddf h TRP 445 CO 0.00 0.08 -0.78 -1.01 -3.56 0.00 0.00 178.44 173.17 3ddf s HIS 446 N -4.40 2.25 0.10 0.49 3.76 -1.20 -5.09 115.29 111.19 3ddf s HIS 446 Ca -0.04 -0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 3ddf s HIS 446 Cb 0.14 -1.03 -0.07 0.00 1.11 0.00 0.00 32.58 32.73 3ddf s HIS 446 CO 0.58 0.61 0.57 0.45 -0.85 0.00 0.00 174.74 176.11 3ddf s SER 447 N -3.17 7.01 -0.04 1.40 0.15 -1.26 -5.00 113.70 112.79 3ddf s SER 447 Ca 0.26 1.23 0.06 0.00 0.70 0.00 0.00 55.95 58.20 3ddf s SER 447 Cb -0.06 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3ddf s SER 447 CO 0.12 0.22 -0.23 0.26 1.20 0.00 0.00 173.24 174.81 3ddf s TRP 448 N -1.22 2.44 0.61 3.44 0.52 -1.26 -5.05 118.94 118.43 3ddf s TRP 448 Ca 0.32 -0.46 -0.19 0.00 0.02 0.00 0.00 56.10 55.79 3ddf s TRP 448 Cb -0.18 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 3ddf s TRP 448 CO 0.19 -0.04 1.28 -3.47 0.02 0.00 0.00 176.95 174.92 3ddf n ASP 449 N 2.56 2.11 -0.03 2.95 -0.08 -1.26 -4.37 116.55 118.44 3ddf n ASP 449 Ca -0.17 0.87 0.16 0.00 -1.51 0.00 0.00 54.79 54.14 3ddf n ASP 449 Cb 0.51 -1.54 0.60 0.00 2.34 0.00 0.00 41.12 43.03 3ddf n ASP 449 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3ddf h GLY 450 N 0.80 0.28 2.00 0.27 0.00 -2.01 -0.93 103.07 103.49 3ddf h GLY 450 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3ddf h GLY 450 CO 0.54 0.04 0.00 -0.33 0.00 0.00 0.00 176.54 176.79 3ddf h MET 451 N 0.19 0.00 0.00 4.80 2.86 -2.05 -2.07 114.93 118.66 3ddf h MET 451 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3ddf h MET 451 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3ddf h MET 451 CO -0.04 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.93 3ddf h ALA 452 N 2.10 1.00 -2.60 6.32 0.00 -1.52 -3.47 119.26 121.09 3ddf h ALA 452 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 3ddf h ALA 452 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ddf h ALA 452 CO 0.00 0.00 -0.51 0.54 0.00 0.00 0.00 179.25 179.28 3ddf n ARG 453 N -2.36 -1.62 0.07 0.00 1.74 -0.78 -4.90 116.66 108.81 3ddf n ARG 453 Ca 0.04 1.05 -0.13 0.00 -0.77 0.00 0.00 57.85 58.04 3ddf n ARG 453 Cb 0.34 -5.65 -0.08 0.00 -1.02 0.00 0.00 32.46 26.04 3ddf n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3ddf h ILE 454 N 0.00 0.97 -0.92 0.55 1.08 -1.84 -2.44 117.51 114.90 3ddf h ILE 454 Ca -0.48 -0.87 0.02 0.00 -0.39 0.00 0.00 64.86 63.14 3ddf h ILE 454 Cb 1.36 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 36.54 3ddf h ILE 454 CO 0.59 0.19 0.61 -0.33 -0.69 0.00 0.00 178.15 178.52 3ddf h GLU 455 N -0.66 1.16 -0.07 2.37 3.07 -1.93 -0.55 114.58 117.97 3ddf h GLU 455 Ca -0.02 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3ddf h GLU 455 Cb 0.48 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3ddf h GLU 455 CO 0.04 0.77 0.04 1.49 -1.40 0.00 0.00 179.01 179.95 3ddf h GLU 456 N 1.20 0.09 -0.59 2.33 4.81 -1.95 -0.13 114.58 120.34 3ddf h GLU 456 Ca 0.35 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3ddf h GLU 456 Cb -0.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3ddf h GLU 456 CO -0.09 0.07 -0.03 0.00 -0.73 0.00 0.00 179.01 178.23 3ddf h ARG 457 N 0.08 1.05 -0.64 1.92 -0.00 -1.11 -1.99 114.38 113.68 3ddf h ARG 457 Ca 0.02 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.98 59.08 3ddf h ARG 457 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.86 3ddf h ARG 457 CO -0.01 1.04 0.07 -0.07 0.00 0.00 0.00 179.97 181.00 3ddf h LEU 458 N 0.95 1.05 -0.64 3.04 3.38 -0.97 -1.09 115.31 121.03 3ddf h LEU 458 Ca 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ddf h LEU 458 Cb 0.59 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ddf h LEU 458 CO 0.04 1.07 0.38 -0.08 0.09 0.00 0.00 178.44 179.93 3ddf h GLU 459 N 1.00 0.87 -0.33 1.13 4.81 -0.84 -0.12 114.58 121.09 3ddf h GLU 459 Ca 0.19 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ddf h GLU 459 Cb 0.49 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3ddf h GLU 459 CO 0.02 0.62 0.20 0.37 -0.73 0.00 0.00 179.01 179.49 3ddf h GLN 460 N 0.87 0.45 -0.30 1.92 4.15 -1.15 -1.08 115.11 119.96 3ddf h GLN 460 Ca 0.23 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ddf h GLN 460 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3ddf h GLN 460 CO -0.04 0.34 0.17 0.00 -1.93 0.00 0.00 178.83 177.37 3ddf h ALA 461 N 1.08 0.39 -0.96 3.38 0.00 -0.92 -1.14 119.26 121.09 3ddf h ALA 461 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ddf h ALA 461 Cb 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3ddf h ALA 461 CO -0.02 -0.10 0.63 0.00 0.00 0.00 0.00 179.25 179.76 3ddf h ARG 462 N 0.38 1.24 -0.22 0.00 3.08 -0.89 -2.18 114.38 115.79 3ddf h ARG 462 Ca 0.11 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 3ddf h ARG 462 Cb 0.04 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.81 3ddf h ARG 462 CO -0.02 0.82 -0.63 0.00 -1.07 0.00 0.00 179.97 179.08 3ddf h ARG 463 N 1.28 0.76 -0.41 0.04 3.08 -0.84 -0.06 114.38 118.23 3ddf h ARG 463 Ca 0.36 -0.53 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 3ddf h ARG 463 Cb -0.11 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3ddf h ARG 463 CO -0.09 1.15 -0.25 0.93 -1.07 0.00 0.00 179.97 180.65 3ddf h GLU 464 N 0.56 0.89 -0.52 0.04 4.39 -1.09 -0.08 114.58 118.77 3ddf h GLU 464 Ca -0.01 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 3ddf h GLU 464 Cb 1.23 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3ddf h GLU 464 CO 0.13 1.06 0.10 1.25 -1.16 0.00 0.00 179.01 180.39 3ddf h LEU 465 N 0.70 0.81 -0.51 1.33 5.85 -1.39 -2.72 115.31 119.39 3ddf h LEU 465 Ca 0.08 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3ddf h LEU 465 Cb 0.82 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3ddf h LEU 465 CO 0.07 0.85 0.32 0.28 -0.34 0.00 0.00 178.44 179.62 3ddf h SER 466 N 0.73 0.54 -0.93 1.25 0.02 -0.83 -2.45 113.55 111.88 3ddf h SER 466 Ca 0.16 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 3ddf h SER 466 Cb 0.38 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.71 3ddf h SER 466 CO 0.01 0.39 0.56 0.25 -1.14 0.00 0.00 176.83 176.90 3ddf h LEU 467 N 0.65 0.83 -1.06 5.07 5.85 -0.90 -1.99 115.31 123.77 3ddf h LEU 467 Ca 0.19 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3ddf h LEU 467 Cb -0.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3ddf h LEU 467 CO -0.06 0.46 0.00 0.15 -0.34 0.00 0.00 178.44 178.65 3ddf h PHE 468 N 0.92 0.00 0.00 1.25 3.57 -1.12 -1.89 116.94 119.67 3ddf h PHE 468 Ca 0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.95 3ddf h PHE 468 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3ddf h PHE 468 CO -0.03 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.09 3ddf n GLN 469 N -2.55 0.07 -1.39 1.11 1.13 -0.75 -1.01 117.38 113.99 3ddf n GLN 469 Ca 0.01 0.30 -0.38 0.00 -1.94 0.00 0.00 57.00 55.00 3ddf n GLN 469 Cb 0.24 -1.63 0.04 0.00 0.11 0.00 0.00 30.24 29.00 3ddf n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3ddf n HIS 470 N -1.77 -1.08 1.50 1.08 -0.00 -0.71 -0.85 115.22 113.39 3ddf n HIS 470 Ca 0.03 0.41 0.01 0.00 -0.00 0.00 0.00 57.72 58.18 3ddf n HIS 470 Cb 0.20 -1.90 0.08 0.00 -0.00 0.00 0.00 29.99 28.37 3ddf n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3ddf n HIS 471 N -1.82 0.00 -0.02 1.57 1.44 -1.17 -0.74 115.22 114.47 3ddf n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3ddf n HIS 471 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 3ddf n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3ddf n ASP 472 N -0.56 1.95 0.00 4.39 8.00 -1.26 -4.69 116.55 124.39 3ddf n ASP 472 Ca 0.02 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3ddf n ASP 472 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3ddf n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddf n GLY 473 N -0.49 0.22 0.35 0.44 0.00 0.08 -3.38 105.19 102.41 3ddf n GLY 473 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3ddf n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ddf h ILE 474 N 0.00 0.56 0.00 -0.61 2.10 -1.08 -0.03 117.51 118.45 3ddf h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3ddf h ILE 474 Cb 0.00 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 3ddf h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3ddf h THR 475 N 0.00 0.00 -1.02 2.19 1.35 -1.82 -3.43 112.91 110.18 3ddf h THR 475 Ca 0.13 -0.20 -0.16 0.00 -0.55 0.00 0.00 66.41 65.63 3ddf h THR 475 Cb 0.63 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 3ddf h THR 475 CO -0.00 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 175.68 3ddf n GLY 476 N -0.63 0.20 0.70 5.82 0.00 -0.03 -4.44 105.19 106.81 3ddf n GLY 476 Ca -0.01 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.49 3ddf n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddf n THR 477 N -3.80 2.24 -3.55 2.61 -2.24 -1.25 -4.55 114.28 103.74 3ddf n THR 477 Ca -0.09 -2.36 -0.20 0.00 -2.27 0.00 0.00 64.05 59.12 3ddf n THR 477 Cb 0.52 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 3ddf n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddf s ALA 478 N -3.00 4.09 0.73 6.98 0.00 -1.22 -4.90 121.76 124.45 3ddf s ALA 478 Ca 0.40 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 3ddf s ALA 478 Cb 0.34 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 22.19 3ddf s ALA 478 CO 0.03 -0.10 1.13 0.15 0.00 0.00 0.00 175.76 176.96 3ddf s LYS 479 N -4.12 2.33 0.21 0.00 1.02 -0.43 -4.71 119.74 114.04 3ddf s LYS 479 Ca 0.46 1.41 -0.14 0.00 0.02 0.00 0.00 55.97 57.72 3ddf s LYS 479 Cb -0.07 -1.89 0.23 0.00 -0.52 0.00 0.00 37.83 35.58 3ddf s LYS 479 CO 0.29 -1.62 1.63 1.15 -0.92 0.00 0.00 175.35 175.87 3ddf h THR 480 N -0.57 0.36 0.00 2.17 2.02 -1.94 0.22 112.91 115.17 3ddf h THR 480 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3ddf h THR 480 Cb 1.25 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3ddf h THR 480 CO 0.51 0.00 -0.07 1.12 0.37 0.00 0.00 175.52 177.45 3ddf h HIS 481 N -0.01 0.00 0.07 3.16 2.07 -1.96 -1.85 115.15 116.62 3ddf h HIS 481 Ca 0.30 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.59 3ddf h HIS 481 Cb 0.46 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.46 3ddf h HIS 481 CO -0.52 0.07 -0.92 0.28 -3.07 0.00 0.00 177.93 173.77 3ddf h VAL 482 N 0.00 1.37 -0.74 6.12 2.07 -1.33 -2.19 116.25 121.55 3ddf h VAL 482 Ca -0.00 -2.31 0.12 0.00 0.82 0.00 0.00 66.70 65.33 3ddf h VAL 482 Cb 0.54 2.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 3ddf h VAL 482 CO 0.01 0.69 0.33 0.58 0.02 0.00 0.00 177.57 179.19 3ddf h VAL 483 N 0.05 0.74 -0.70 2.57 2.07 -0.92 -0.83 116.25 119.23 3ddf h VAL 483 Ca -0.13 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3ddf h VAL 483 Cb 1.63 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3ddf h VAL 483 CO 0.18 0.09 0.33 0.58 0.02 0.00 0.00 177.57 178.78 3ddf h VAL 484 N 0.51 1.23 -0.20 2.57 2.07 -1.28 -0.67 116.25 120.49 3ddf h VAL 484 Ca 0.39 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3ddf h VAL 484 Cb 0.52 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3ddf h VAL 484 CO -0.34 0.28 0.11 -0.78 0.02 0.00 0.00 177.57 176.85 3ddf h ASP 485 N 0.99 0.18 -0.78 0.57 -0.00 -0.70 -0.20 116.42 116.48 3ddf h ASP 485 Ca 0.24 0.00 0.04 0.00 -0.00 0.00 0.00 57.03 57.31 3ddf h ASP 485 Cb 0.13 -0.04 -0.05 0.00 -0.00 0.00 0.00 39.33 39.37 3ddf h ASP 485 CO -0.03 0.13 0.49 1.88 -0.00 0.00 0.00 179.24 181.71 3ddf h TYR 486 N 0.23 0.91 -0.43 0.28 0.99 -0.77 -1.04 116.97 117.15 3ddf h TYR 486 Ca 0.08 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 3ddf h TYR 486 Cb -0.00 -0.30 -0.02 0.00 1.00 0.00 0.00 36.73 37.41 3ddf h TYR 486 CO -0.08 0.50 0.14 1.49 -0.00 0.00 0.00 178.16 180.21 3ddf h GLU 487 N 0.93 0.66 -0.68 4.88 4.81 -0.75 -0.60 114.58 123.83 3ddf h GLU 487 Ca 0.32 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3ddf h GLU 487 Cb 0.06 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3ddf h GLU 487 CO -0.13 0.64 0.34 1.96 -0.73 0.00 0.00 179.01 181.09 3ddf h GLN 488 N 0.55 0.97 -0.55 1.92 4.20 -0.79 0.59 115.11 122.00 3ddf h GLN 488 Ca 0.14 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ddf h GLN 488 Cb 0.25 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3ddf h GLN 488 CO -0.01 0.75 0.34 0.00 -0.67 0.00 0.00 178.83 179.25 3ddf h ARG 489 N 0.94 0.74 -0.13 1.46 3.08 -1.02 -1.73 114.38 117.72 3ddf h ARG 489 Ca 0.24 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3ddf h ARG 489 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3ddf h ARG 489 CO -0.03 0.52 -0.37 0.52 -1.07 0.00 0.00 179.97 179.54 3ddf h MET 490 N 0.74 0.27 -0.59 0.04 2.86 -0.67 -0.86 114.93 116.72 3ddf h MET 490 Ca 0.20 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3ddf h MET 490 Cb -0.04 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3ddf h MET 490 CO -0.04 0.61 0.21 1.96 1.06 0.00 0.00 176.91 180.71 3ddf h GLN 491 N 0.23 0.90 -0.76 1.72 1.08 -0.60 0.03 115.11 117.71 3ddf h GLN 491 Ca 0.03 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 3ddf h GLN 491 Cb 0.76 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 3ddf h GLN 491 CO 0.06 0.78 0.38 0.93 -0.95 0.00 0.00 178.83 180.03 3ddf h GLU 492 N 0.82 1.09 -0.67 1.46 4.39 -0.97 -1.65 114.58 119.06 3ddf h GLU 492 Ca 0.19 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3ddf h GLU 492 Cb 0.24 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3ddf h GLU 492 CO -0.01 0.84 0.32 0.00 -1.16 0.00 0.00 179.01 179.00 3ddf h ALA 493 N 1.19 0.87 -0.70 3.43 0.00 -0.70 -0.72 119.26 122.62 3ddf h ALA 493 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ddf h ALA 493 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ddf h ALA 493 CO -0.04 0.44 0.42 -0.07 0.00 0.00 0.00 179.25 180.01 3ddf h LEU 494 N 0.93 0.84 -0.82 0.00 3.38 -0.63 -0.76 115.31 118.26 3ddf h LEU 494 Ca 0.23 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3ddf h LEU 494 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ddf h LEU 494 CO -0.03 0.65 0.07 0.11 0.09 0.00 0.00 178.44 179.33 3ddf h LYS 495 N 0.96 0.96 -0.21 1.13 1.57 -0.96 -0.62 116.57 119.40 3ddf h LYS 495 Ca 0.25 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ddf h LYS 495 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3ddf h LYS 495 CO -0.05 0.90 0.12 0.00 -0.57 0.00 0.00 179.45 179.86 3ddf h ALA 496 N 1.17 0.27 -0.42 3.86 0.00 -0.78 -1.81 119.26 121.55 3ddf h ALA 496 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ddf h ALA 496 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ddf h ALA 496 CO 0.01 -0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.30 3ddf h GLN 498 N 0.54 0.78 -0.11 0.00 4.15 -0.92 0.10 115.11 119.65 3ddf h GLN 498 Ca 0.16 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.54 3ddf h GLN 498 Cb -0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3ddf h GLN 498 CO -0.05 0.52 0.03 1.98 -1.93 0.00 0.00 178.83 179.38 3ddf h MET 499 N 0.81 0.08 -0.57 1.69 4.05 -1.05 -0.78 114.93 119.15 3ddf h MET 499 Ca 0.29 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.66 3ddf h MET 499 Cb 0.08 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 3ddf h MET 499 CO -0.13 0.05 0.18 0.28 0.23 0.00 0.00 176.91 177.51 3ddf h VAL 500 N 0.08 1.24 -0.33 -5.77 2.07 -1.09 -1.93 116.25 110.52 3ddf h VAL 500 Ca 0.05 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3ddf h VAL 500 Cb 0.03 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ddf h VAL 500 CO -0.05 0.31 0.12 0.24 0.02 0.00 0.00 177.57 178.21 3ddf h MET 501 N 0.81 0.50 -0.16 1.57 2.07 -0.72 -1.54 114.93 117.46 3ddf h MET 501 Ca 0.18 -0.10 -0.19 0.00 -2.07 0.00 0.00 59.70 57.53 3ddf h MET 501 Cb 0.29 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 3ddf h MET 501 CO -0.01 0.52 -0.67 -0.56 1.07 0.00 0.00 176.91 177.26 3ddf h GLN 502 N 0.38 0.63 -0.98 1.72 -0.00 -1.06 -0.65 115.11 115.17 3ddf h GLN 502 Ca 0.11 -0.47 0.01 0.00 -0.00 0.00 0.00 58.65 58.31 3ddf h GLN 502 Cb 0.21 0.08 -0.05 0.00 -0.00 0.00 0.00 27.48 27.72 3ddf h GLN 502 CO -0.01 1.09 0.65 1.96 -0.00 0.00 0.00 178.83 182.52 3ddf h GLN 503 N 0.46 1.27 -0.29 0.06 1.08 -1.27 -1.87 115.11 114.55 3ddf h GLN 503 Ca -0.02 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 3ddf h GLN 503 Cb 1.26 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 3ddf h GLN 503 CO 0.13 0.84 -0.11 0.77 -0.95 0.00 0.00 178.83 179.51 3ddf h SER 504 N 1.31 0.60 -0.49 1.46 0.02 -0.84 -2.03 113.55 113.58 3ddf h SER 504 Ca 0.36 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3ddf h SER 504 Cb -0.13 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 3ddf h SER 504 CO -0.09 0.86 0.28 0.58 -1.14 0.00 0.00 176.83 177.32 3ddf h VAL 505 N 0.34 1.02 -0.92 2.27 2.07 -0.97 0.65 116.25 120.71 3ddf h VAL 505 Ca 0.07 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3ddf h VAL 505 Cb 0.62 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3ddf h VAL 505 CO 0.04 0.10 0.58 0.22 0.02 0.00 0.00 177.57 178.53 3ddf h TYR 506 N 0.55 1.19 -0.47 1.57 3.20 -1.22 -1.81 116.97 119.98 3ddf h TYR 506 Ca 0.20 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 3ddf h TYR 506 Cb 0.05 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 3ddf h TYR 506 CO -0.08 0.77 -0.25 -0.09 -1.64 0.00 0.00 178.16 176.87 3ddf h ARG 507 N 1.26 1.00 0.00 1.82 2.43 -0.88 -2.73 114.38 117.26 3ddf h ARG 507 Ca 0.33 -0.45 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3ddf h ARG 507 Cb -0.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3ddf h ARG 507 CO -0.07 1.12 -0.20 -0.07 -1.51 0.00 0.00 179.97 179.24 3ddf h LEU 508 N 0.85 0.00 -3.00 3.80 3.38 -0.50 -3.28 115.31 116.55 3ddf h LEU 508 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ddf h LEU 508 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ddf h LEU 508 CO 0.07 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.99 3ddf n LEU 509 N -3.40 2.31 -4.31 1.67 4.77 -0.71 -4.86 117.00 112.46 3ddf n LEU 509 Ca -0.00 -2.93 -0.32 0.00 -0.03 0.00 0.00 56.01 52.73 3ddf n LEU 509 Cb 0.41 -0.37 -0.16 0.00 -2.33 0.00 0.00 43.42 40.97 3ddf n LEU 509 CO 0.33 0.68 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.63 3ddf s THR 510 N -2.61 2.26 -0.04 -5.08 2.01 -1.03 -0.65 115.64 110.49 3ddf s THR 510 Ca 0.27 -1.00 -0.37 0.00 0.31 0.00 0.00 61.69 60.90 3ddf s THR 510 Cb 0.24 -1.83 -0.16 0.00 0.01 0.00 0.00 72.50 70.76 3ddf s THR 510 CO 0.03 0.57 1.54 1.17 -0.69 0.00 0.00 174.62 177.24 3ddf n LYS 511 N 2.82 1.32 -0.28 4.92 4.81 -0.25 -4.73 118.16 126.78 3ddf n LYS 511 Ca -0.17 0.48 0.09 0.00 -0.87 0.00 0.00 58.31 57.84 3ddf n LYS 511 Cb 0.52 -2.16 0.33 0.00 0.02 0.00 0.00 35.03 33.73 3ddf n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3ddf h PRO 512 N 5.93 0.78 0.00 1.64 0.11 -1.92 -0.74 132.00 137.80 3ddf h PRO 512 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ddf h PRO 512 Cb 1.32 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ddf h PRO 512 CO 0.86 0.52 0.00 -1.13 -0.21 0.00 0.00 178.00 178.04 3ddf n SER 513 N -4.55 0.00 -0.09 -2.05 3.41 -1.26 -3.00 113.62 106.08 3ddf n SER 513 Ca 0.16 -0.35 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 3ddf n SER 513 Cb 0.38 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 3ddf n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ddf n ILE 514 N -1.19 1.20 -1.68 -1.33 5.41 -0.39 -5.01 119.36 116.38 3ddf n ILE 514 Ca 0.15 -0.64 -0.54 0.00 1.00 0.00 0.00 62.75 62.73 3ddf n ILE 514 Cb 0.18 -0.80 -0.06 0.00 -0.71 0.00 0.00 39.64 38.25 3ddf n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ddf n TYR 515 N -2.81 2.00 -3.22 1.39 9.36 -0.57 -4.92 117.16 118.39 3ddf n TYR 515 Ca -0.32 0.43 -0.24 0.00 3.32 0.00 0.00 57.90 61.10 3ddf n TYR 515 Cb 1.01 -2.48 -0.07 0.00 -0.63 0.00 0.00 39.34 37.17 3ddf n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3ddf n SER 516 N 4.82 -0.22 -4.78 2.98 2.88 -1.26 -5.04 113.62 113.00 3ddf n SER 516 Ca 0.23 -2.63 -0.37 0.00 -1.33 0.00 0.00 58.87 54.77 3ddf n SER 516 Cb 0.19 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 3ddf n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3ddf s PRO 517 N -0.71 4.37 -0.37 -1.46 0.04 -1.26 -5.02 135.00 130.60 3ddf s PRO 517 Ca 0.34 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 3ddf s PRO 517 Cb 0.13 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 32.02 3ddf s PRO 517 CO -0.14 0.05 0.16 0.34 0.04 0.00 0.00 177.00 177.44 3ddf s ASP 518 N -1.51 5.42 0.00 6.66 -1.08 -1.26 -5.01 116.67 119.88 3ddf s ASP 518 Ca 0.54 -1.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.44 3ddf s ASP 518 Cb -0.22 -1.90 0.85 0.00 -1.46 0.00 0.00 42.92 40.19 3ddf s ASP 518 CO 0.28 -0.40 1.46 0.49 0.52 0.00 0.00 175.17 177.51 3ddf n PHE 519 N 4.83 0.00 1.02 -5.34 3.72 -1.26 -1.46 117.46 118.98 3ddf n PHE 519 Ca -0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.40 3ddf n PHE 519 Cb 0.44 -0.24 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 3ddf n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ddf n SER 520 N -1.24 1.18 -4.87 4.37 3.41 -1.26 -4.98 113.62 110.23 3ddf n SER 520 Ca 0.08 -1.00 -0.32 0.00 -0.26 0.00 0.00 58.87 57.37 3ddf n SER 520 Cb 0.12 0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 64.70 3ddf n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ddf s PHE 521 N -2.83 3.42 -0.63 7.33 5.36 -0.53 -5.04 117.98 125.05 3ddf s PHE 521 Ca 0.12 0.93 -0.16 0.00 -0.96 0.00 0.00 56.93 56.87 3ddf s PHE 521 Cb 0.17 -2.31 0.15 0.00 -0.34 0.00 0.00 43.02 40.69 3ddf s PHE 521 CO 0.74 0.23 0.63 -1.12 -1.46 0.00 0.00 175.22 174.24 3ddf s SER 522 N -2.37 6.34 0.24 6.13 0.01 -1.26 -4.90 113.70 117.90 3ddf s SER 522 Ca 0.49 -1.94 0.01 0.00 1.31 0.00 0.00 55.95 55.81 3ddf s SER 522 Cb -0.11 -2.24 0.27 0.00 0.21 0.00 0.00 66.02 64.16 3ddf s SER 522 CO 0.21 -0.85 1.62 1.88 0.41 0.00 0.00 173.24 176.50 3ddf h TYR 523 N 8.69 0.56 -3.90 2.43 -1.99 -1.94 -3.42 116.97 117.39 3ddf h TYR 523 Ca -0.18 -0.16 -0.30 0.00 2.00 0.00 0.00 58.73 60.08 3ddf h TYR 523 Cb 1.08 -0.12 -0.20 0.00 2.00 0.00 0.00 36.73 39.49 3ddf h TYR 523 CO 0.84 0.81 -0.74 -0.06 -0.00 0.00 0.00 178.16 179.02 3ddf s PHE 524 N -4.20 0.86 0.01 4.88 0.40 -1.26 -0.80 117.98 117.86 3ddf s PHE 524 Ca -0.07 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 3ddf s PHE 524 Cb 0.13 -0.49 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 3ddf s PHE 524 CO 0.81 -0.05 -0.06 0.95 0.70 0.00 0.00 175.22 177.57 3ddf s THR 525 N -1.81 3.70 0.41 0.64 -4.23 -0.52 -4.87 115.64 108.97 3ddf s THR 525 Ca -0.03 -0.78 -0.23 0.00 -1.18 0.00 0.00 61.69 59.47 3ddf s THR 525 Cb -0.07 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 3ddf s THR 525 CO 0.00 0.38 1.03 -0.76 -0.54 0.00 0.00 174.62 174.73 3ddf s LEU 526 N -1.48 4.09 -0.18 4.79 1.43 -1.26 -0.71 118.68 125.36 3ddf s LEU 526 Ca 0.18 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 3ddf s LEU 526 Cb -0.11 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 41.88 3ddf s LEU 526 CO 0.08 -0.49 -0.11 -0.62 0.23 0.00 0.00 176.35 175.44 3ddf s ASP 527 N -1.69 3.11 -0.22 2.29 2.15 -0.22 -4.86 116.67 117.23 3ddf s ASP 527 Ca 0.59 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.85 3ddf s ASP 527 Cb -0.20 -1.17 0.04 0.00 -0.30 0.00 0.00 42.92 41.29 3ddf s ASP 527 CO 0.25 -0.13 -0.14 -0.62 -0.17 0.00 0.00 175.17 174.36 3ddf s ASP 528 N 1.46 3.77 0.21 -0.34 -1.08 -1.26 -4.21 116.67 115.21 3ddf s ASP 528 Ca 0.01 -1.03 0.25 0.00 -0.52 0.00 0.00 52.55 51.26 3ddf s ASP 528 Cb -0.15 -1.46 0.88 0.00 -1.46 0.00 0.00 42.92 40.73 3ddf s ASP 528 CO -0.09 -0.11 1.76 -1.20 0.52 0.00 0.00 175.17 176.05 3ddf n SER 529 N 4.55 0.71 0.00 -0.34 7.64 -1.26 -4.01 113.62 120.91 3ddf n SER 529 Ca -0.17 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3ddf n SER 529 Cb 0.46 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3ddf n SER 529 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ddf n ARG 530 N -2.19 1.75 -3.69 1.43 1.74 -1.26 -4.41 116.66 110.03 3ddf n ARG 530 Ca 0.05 -1.10 -0.11 0.00 -0.77 0.00 0.00 57.85 55.91 3ddf n ARG 530 Cb 0.36 -0.87 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 3ddf n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ddf s TRP 531 N -0.62 -0.56 0.16 -1.55 -0.11 -1.26 -4.02 118.94 110.98 3ddf s TRP 531 Ca 0.00 1.19 0.35 0.00 1.22 0.00 0.00 56.10 58.85 3ddf s TRP 531 Cb 0.00 0.17 1.57 0.00 -1.50 0.00 0.00 33.47 33.72 3ddf s TRP 531 CO 0.00 -0.36 2.04 -1.35 -4.62 0.00 0.00 176.95 172.66 3ddf h PRO 532 N 7.61 0.00 0.00 5.86 0.11 -1.87 -3.44 132.00 140.27 3ddf h PRO 532 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ddf h PRO 532 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ddf h PRO 532 CO 0.24 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.44 3ddf n GLY 533 N -0.28 2.73 3.69 -0.55 0.00 -1.26 -4.31 105.19 105.21 3ddf n GLY 533 Ca -0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3ddf n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ddf s SER 534 N 0.00 6.42 0.00 1.61 0.15 -1.26 -0.60 113.70 120.02 3ddf s SER 534 Ca 0.00 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.41 3ddf s SER 534 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3ddf s SER 534 CO 0.00 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.03 3ddf n GLY 535 N 4.31 0.84 0.40 9.45 0.00 -1.26 -4.87 105.19 114.05 3ddf n GLY 535 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3ddf n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ddf n VAL 536 N -2.00 1.12 -3.79 1.61 0.31 0.23 -4.99 118.33 110.83 3ddf n VAL 536 Ca 0.00 -0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.01 3ddf n VAL 536 Cb 0.00 -1.82 -0.13 0.00 -0.91 0.00 0.00 33.84 30.98 3ddf n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3ddf s GLU 537 N -2.40 0.17 -0.94 5.55 2.12 -1.00 -4.98 118.70 117.22 3ddf s GLU 537 Ca -0.26 0.30 -0.16 0.00 0.36 0.00 0.00 54.97 55.21 3ddf s GLU 537 Cb 0.09 -0.00 0.17 0.00 0.26 0.00 0.00 34.13 34.65 3ddf s GLU 537 CO 0.33 -0.08 1.07 0.34 -0.54 0.00 0.00 175.26 176.38 3ddf s ASP 538 N 0.50 6.75 -0.00 -1.70 -1.08 -1.26 -4.55 116.67 115.33 3ddf s ASP 538 Ca -0.03 -2.40 0.04 0.00 -0.52 0.00 0.00 52.55 49.63 3ddf s ASP 538 Cb -0.05 -2.34 -0.06 0.00 -1.46 0.00 0.00 42.92 39.02 3ddf s ASP 538 CO -0.02 -0.86 0.11 -1.54 0.52 0.00 0.00 175.17 173.38 3ddf n SER 539 N 5.57 2.95 -4.80 -0.34 3.41 -1.26 -5.03 113.62 114.11 3ddf n SER 539 Ca 0.23 -0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.28 3ddf n SER 539 Cb 0.47 1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 65.49 3ddf n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3ddf s ARG 540 N -2.01 4.34 0.05 4.33 0.52 -1.26 -5.04 118.95 119.89 3ddf s ARG 540 Ca -0.01 0.91 -0.21 0.00 -0.52 0.00 0.00 55.73 55.91 3ddf s ARG 540 Cb 0.03 -3.17 -0.06 0.00 0.52 0.00 0.00 34.95 32.27 3ddf s ARG 540 CO 0.16 0.56 0.62 0.95 0.02 0.00 0.00 175.30 177.62 3ddf s THR 541 N -1.22 4.75 0.05 0.02 -4.23 -1.26 -5.05 115.64 108.71 3ddf s THR 541 Ca 0.34 1.32 -0.28 0.00 -1.18 0.00 0.00 61.69 61.89 3ddf s THR 541 Cb -0.20 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.63 3ddf s THR 541 CO 0.22 0.48 0.90 -0.89 -0.54 0.00 0.00 174.62 174.80 3ddf s THR 542 N -0.68 4.69 -0.34 3.99 2.01 -1.26 -4.52 115.64 119.52 3ddf s THR 542 Ca 0.31 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.95 3ddf s THR 542 Cb -0.20 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.07 3ddf s THR 542 CO 0.20 0.28 1.25 -0.63 -0.69 0.00 0.00 174.62 175.02 3ddf s ILE 543 N 0.31 4.20 -0.45 1.82 1.01 0.24 -4.94 121.20 123.39 3ddf s ILE 543 Ca 0.46 1.34 -0.18 0.00 0.00 0.00 0.00 60.65 62.27 3ddf s ILE 543 Cb -0.22 -4.27 0.04 0.00 0.01 0.00 0.00 42.46 38.02 3ddf s ILE 543 CO 0.27 -0.57 0.49 -0.63 0.00 0.00 0.00 174.94 174.50 3ddf s ILE 544 N 4.34 5.05 0.18 2.92 -1.09 -1.26 -1.50 121.20 129.83 3ddf s ILE 544 Ca 0.53 -0.49 0.11 0.00 -2.23 0.00 0.00 60.65 58.57 3ddf s ILE 544 Cb -0.14 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 3ddf s ILE 544 CO 0.23 -0.56 -0.24 -0.76 -1.23 0.00 0.00 174.94 172.39 3ddf s LEU 545 N 2.21 2.44 0.00 2.97 1.43 -1.26 -4.72 118.68 121.75 3ddf s LEU 545 Ca 0.12 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3ddf s LEU 545 Cb -0.19 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3ddf s LEU 545 CO 0.12 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3ddf n GLY 546 N 0.42 1.68 0.32 -3.19 0.00 -0.14 -4.79 105.19 99.50 3ddf n GLY 546 Ca -0.14 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.57 3ddf n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ddf h GLU 547 N 0.00 0.20 -0.54 1.61 4.81 -1.97 0.83 114.58 119.53 3ddf h GLU 547 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ddf h GLU 547 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ddf h GLU 547 CO 0.00 0.13 0.00 -0.25 -0.73 0.00 0.00 179.01 178.16 3ddf n ASP 548 N -4.47 5.20 0.01 1.04 8.00 -1.26 -4.65 116.55 120.43 3ddf n ASP 548 Ca 0.05 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.72 3ddf n ASP 548 Cb 0.29 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3ddf n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ddf n ILE 549 N 0.55 0.00 -3.33 0.53 3.06 -0.44 -5.13 119.36 114.60 3ddf n ILE 549 Ca 0.26 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.54 3ddf n ILE 549 Cb 1.07 -0.42 -0.03 0.00 0.54 0.00 0.00 39.64 40.80 3ddf n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3ddf s LEU 550 N -5.17 -0.76 0.29 9.51 2.96 0.16 -4.93 118.68 120.74 3ddf s LEU 550 Ca 0.00 0.79 0.15 0.00 -0.22 0.00 0.00 54.13 54.86 3ddf s LEU 550 Cb 0.00 1.77 0.26 0.00 0.50 0.00 0.00 46.19 48.71 3ddf s LEU 550 CO 0.00 -0.14 1.53 1.55 -1.32 0.00 0.00 176.35 177.97 3ddf h PRO 551 N 7.77 0.00 -3.37 0.98 0.14 -1.91 -0.34 132.00 135.26 3ddf h PRO 551 Ca -0.17 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 65.94 3ddf h PRO 551 Cb 1.13 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.17 3ddf h PRO 551 CO 0.07 0.52 -0.02 -1.54 0.14 0.00 0.00 178.00 177.17 3ddf s SER 552 N -6.48 -0.23 -0.10 1.44 1.04 -1.26 -1.28 113.70 106.83 3ddf s SER 552 Ca 0.02 -0.49 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 3ddf s SER 552 Cb 0.09 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.80 3ddf s SER 552 CO 0.73 -1.00 0.24 -0.75 0.98 0.00 0.00 173.24 173.43 3ddf s LYS 553 N -3.87 0.20 0.17 4.02 2.47 -0.09 -4.98 119.74 117.66 3ddf s LYS 553 Ca 0.09 0.49 -0.29 0.00 -1.56 0.00 0.00 55.97 54.70 3ddf s LYS 553 Cb -0.00 -0.09 -0.07 0.00 -1.46 0.00 0.00 37.83 36.20 3ddf s LYS 553 CO -0.04 -0.15 0.91 -1.01 0.16 0.00 0.00 175.35 175.22 3ddf s HIS 554 N 1.11 3.89 0.12 4.03 3.76 -1.26 -0.88 115.29 126.06 3ddf s HIS 554 Ca -0.08 1.80 0.07 0.00 -0.15 0.00 0.00 55.06 56.70 3ddf s HIS 554 Cb -0.09 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 3ddf s HIS 554 CO -0.07 0.36 -0.18 0.14 -0.85 0.00 0.00 174.74 174.14 3ddf s VAL 555 N -0.65 1.58 -0.03 -0.90 -7.23 -0.31 -1.68 120.40 111.19 3ddf s VAL 555 Ca 0.42 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3ddf s VAL 555 Cb -0.24 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.12 3ddf s VAL 555 CO 0.30 -0.25 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.08 3ddf s VAL 556 N -1.72 0.62 -0.08 1.32 1.01 -0.21 -0.70 120.40 120.65 3ddf s VAL 556 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3ddf s VAL 556 Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3ddf s VAL 556 CO 0.04 0.22 0.00 -0.04 0.00 0.00 0.00 175.10 175.32 3ddf s MET 557 N 0.46 2.96 -0.07 2.72 -1.94 -0.23 -0.56 119.30 122.64 3ddf s MET 557 Ca -0.06 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 3ddf s MET 557 Cb -0.10 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 3ddf s MET 557 CO 0.00 0.69 -0.08 -1.58 -0.01 0.00 0.00 175.02 174.04 3ddf s HIS 558 N -0.91 2.89 -0.34 -0.03 5.04 -0.06 -1.43 115.29 120.46 3ddf s HIS 558 Ca 0.14 -0.03 0.03 0.00 -1.54 0.00 0.00 55.06 53.66 3ddf s HIS 558 Cb -0.11 -1.70 0.09 0.00 0.04 0.00 0.00 32.58 30.90 3ddf s HIS 558 CO 0.03 0.29 0.04 1.21 -2.34 0.00 0.00 174.74 173.97 3ddf s ASN 559 N -0.74 4.79 0.25 9.88 2.47 -0.42 -1.16 114.94 130.00 3ddf s ASN 559 Ca 0.11 -2.01 0.25 0.00 0.42 0.00 0.00 52.86 51.64 3ddf s ASN 559 Cb -0.11 -1.65 0.92 0.00 -1.45 0.00 0.00 41.25 38.97 3ddf s ASN 559 CO 0.01 -0.37 1.74 1.07 -3.72 0.00 0.00 177.10 175.84 3ddf n THR 560 N 4.33 0.74 -2.76 -5.21 5.66 -1.26 -1.81 114.28 113.97 3ddf n THR 560 Ca 0.00 0.03 -0.36 0.00 -3.05 0.00 0.00 64.05 60.67 3ddf n THR 560 Cb 0.42 -0.95 -0.06 0.00 -1.55 0.00 0.00 70.33 68.19 3ddf n THR 560 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3ddf s LEU 561 N -4.58 4.22 -0.10 1.09 1.43 -1.26 -4.52 118.68 114.97 3ddf s LEU 561 Ca 0.06 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 3ddf s LEU 561 Cb 0.10 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 42.19 3ddf s LEU 561 CO 0.48 -0.19 2.22 -0.81 0.23 0.00 0.00 176.35 178.27 3ddf n PRO 562 N 0.20 1.37 -3.89 1.29 -0.04 -1.26 -1.39 135.00 131.28 3ddf n PRO 562 Ca 0.03 -0.60 -0.10 0.00 -0.04 0.00 0.00 63.50 62.79 3ddf n PRO 562 Cb 0.51 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.57 3ddf n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3ddf s HIS 563 N -0.42 0.13 0.38 0.54 -3.43 -1.26 -0.62 115.29 110.61 3ddf s HIS 563 Ca 0.18 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 53.78 3ddf s HIS 563 Cb 0.11 -0.09 -0.11 0.00 -1.43 0.00 0.00 32.58 31.06 3ddf s HIS 563 CO -0.01 -0.40 1.21 0.91 -2.00 0.00 0.00 174.74 174.46 3ddf n TRP 564 N 0.73 1.97 -3.80 0.38 7.02 -1.26 -3.95 117.44 118.52 3ddf n TRP 564 Ca -0.19 0.55 -0.13 0.00 -1.02 0.00 0.00 57.50 56.71 3ddf n TRP 564 Cb 0.59 -2.36 -0.14 0.00 -2.42 0.00 0.00 31.31 26.98 3ddf n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3ddf s ARG 565 N -1.98 0.08 -0.07 -0.99 3.52 -0.82 -4.95 118.95 113.74 3ddf s ARG 565 Ca 0.59 0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 56.39 3ddf s ARG 565 Cb -0.56 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.72 3ddf s ARG 565 CO 0.60 -0.09 0.03 -1.21 -0.81 0.00 0.00 175.30 173.81 3ddf s GLU 566 N 0.62 3.03 -0.19 5.12 2.02 -1.26 -1.33 118.70 126.71 3ddf s GLU 566 Ca -0.05 -0.40 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 3ddf s GLU 566 Cb -0.07 -2.84 0.05 0.00 0.10 0.00 0.00 34.13 31.37 3ddf s GLU 566 CO -0.03 0.70 0.52 -1.14 0.02 0.00 0.00 175.26 175.34 3ddf s GLN 567 N -1.06 0.62 0.33 1.61 0.74 -0.73 -4.99 119.66 116.17 3ddf s GLN 567 Ca 0.15 0.71 -0.29 0.00 0.05 0.00 0.00 55.36 55.98 3ddf s GLN 567 Cb -0.11 0.30 -0.10 0.00 1.10 0.00 0.00 33.01 34.20 3ddf s GLN 567 CO 0.05 -0.08 1.27 -0.51 -0.55 0.00 0.00 175.29 175.46 3ddf s LEU 568 N 0.23 4.43 0.06 3.68 1.43 -1.26 -1.26 118.68 125.99 3ddf s LEU 568 Ca -0.00 2.60 0.06 0.00 -1.03 0.00 0.00 54.13 55.76 3ddf s LEU 568 Cb -0.04 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3ddf s LEU 568 CO 0.01 -0.49 -0.16 0.68 0.23 0.00 0.00 176.35 176.62 3ddf s VAL 569 N -1.16 1.28 0.09 -1.59 -7.23 -0.09 -4.91 120.40 106.79 3ddf s VAL 569 Ca 0.49 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 3ddf s VAL 569 Cb -0.38 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 3ddf s VAL 569 CO 0.50 -0.06 -0.17 1.51 -0.31 0.00 0.00 175.10 176.57 3ddf s ASP 570 N -1.48 2.07 0.06 4.85 -4.77 -1.26 -1.61 116.67 114.54 3ddf s ASP 570 Ca 0.02 -0.65 0.03 0.00 -3.30 0.00 0.00 52.55 48.65 3ddf s ASP 570 Cb -0.09 -0.09 -0.03 0.00 -1.09 0.00 0.00 42.92 41.62 3ddf s ASP 570 CO 0.02 -0.01 -0.09 -0.36 0.70 0.00 0.00 175.17 175.43 3ddf s PHE 571 N -1.22 0.82 -0.00 2.11 0.40 -0.31 -4.92 117.98 114.86 3ddf s PHE 571 Ca 0.02 -0.57 -0.20 0.00 -0.60 0.00 0.00 56.93 55.58 3ddf s PHE 571 Cb -0.10 -0.48 -0.05 0.00 0.51 0.00 0.00 43.02 42.90 3ddf s PHE 571 CO 0.03 -0.06 0.59 0.71 0.70 0.00 0.00 175.22 177.18 3ddf s TYR 572 N -1.81 3.69 0.09 0.36 2.02 -1.26 -1.03 117.35 119.41 3ddf s TYR 572 Ca -0.04 1.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.90 3ddf s TYR 572 Cb -0.07 -2.59 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 3ddf s TYR 572 CO -0.00 0.37 -0.12 0.14 -1.57 0.00 0.00 175.55 174.37 3ddf s VAL 573 N -0.26 1.07 -2.19 0.71 -7.23 0.18 -0.59 120.40 112.08 3ddf s VAL 573 Ca 0.31 -1.53 0.19 0.00 -1.81 0.00 0.00 61.98 59.14 3ddf s VAL 573 Cb -0.18 -1.27 0.45 0.00 0.56 0.00 0.00 36.38 35.94 3ddf s VAL 573 CO 0.17 -0.41 1.55 -1.54 -0.31 0.00 0.00 175.10 174.56 3ddf n SER 574 N 0.82 1.27 -3.89 4.85 3.41 -0.56 -1.00 113.62 118.52 3ddf n SER 574 Ca -0.18 -1.67 -0.11 0.00 -0.26 0.00 0.00 58.87 56.65 3ddf n SER 574 Cb 0.56 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3ddf n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ddf s SER 575 N -1.52 0.06 0.24 4.04 0.15 -1.26 -4.74 113.70 110.67 3ddf s SER 575 Ca 0.30 -0.22 0.26 0.00 0.70 0.00 0.00 55.95 56.98 3ddf s SER 575 Cb 0.16 0.18 0.80 0.00 -1.71 0.00 0.00 66.02 65.45 3ddf s SER 575 CO 0.24 -0.30 1.76 1.55 1.20 0.00 0.00 173.24 177.68 3ddf h PRO 576 N 4.62 0.00 -3.22 5.44 0.13 -1.89 -3.40 132.00 133.68 3ddf h PRO 576 Ca -0.30 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.05 3ddf h PRO 576 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3ddf h PRO 576 CO 0.41 0.00 1.53 1.19 -0.23 0.00 0.00 178.00 180.90 3ddf n PHE 577 N -2.34 2.62 -4.69 1.56 0.99 -1.26 -4.93 117.46 109.41 3ddf n PHE 577 Ca 0.05 -2.69 -0.23 0.00 -0.00 0.00 0.00 57.45 54.58 3ddf n PHE 577 Cb 0.41 -1.65 -0.15 0.00 -1.00 0.00 0.00 39.48 37.09 3ddf n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3ddf s VAL 578 N -1.02 1.19 0.18 -4.37 1.01 -1.26 -0.90 120.40 115.23 3ddf s VAL 578 Ca 0.36 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3ddf s VAL 578 Cb 0.08 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3ddf s VAL 578 CO 0.04 0.34 -0.13 -0.94 0.00 0.00 0.00 175.10 174.42 3ddf s SER 579 N -0.15 2.24 -0.05 3.32 1.04 -0.43 -4.79 113.70 114.88 3ddf s SER 579 Ca 0.02 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.48 3ddf s SER 579 Cb -0.08 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 3ddf s SER 579 CO 0.00 -0.23 -0.15 -0.69 0.98 0.00 0.00 173.24 173.15 3ddf s VAL 580 N -3.04 2.98 0.09 5.02 1.01 -1.26 -0.95 120.40 124.25 3ddf s VAL 580 Ca 0.19 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3ddf s VAL 580 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3ddf s VAL 580 CO 0.04 0.59 -0.08 0.42 0.00 0.00 0.00 175.10 176.07 3ddf s THR 581 N -0.69 0.73 0.81 3.92 -4.23 -0.44 -1.14 115.64 114.60 3ddf s THR 581 Ca 0.11 -1.68 -0.06 0.00 -1.18 0.00 0.00 61.69 58.88 3ddf s THR 581 Cb -0.11 -1.38 0.16 0.00 1.34 0.00 0.00 72.50 72.52 3ddf s THR 581 CO 0.01 -0.69 1.11 1.51 -0.54 0.00 0.00 174.62 176.02 3ddf s ASP 582 N -2.59 3.88 -0.40 3.99 3.84 -0.58 -0.77 116.67 124.04 3ddf s ASP 582 Ca 0.06 -0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.42 3ddf s ASP 582 Cb -0.00 -0.05 0.38 0.00 -1.38 0.00 0.00 42.92 41.87 3ddf s ASP 582 CO -0.02 -2.20 1.86 -0.11 -0.00 0.00 0.00 175.17 174.70 3ddf n LEU 583 N -3.17 6.40 -0.72 2.11 7.94 -1.21 -1.44 117.00 126.91 3ddf n LEU 583 Ca 0.16 -3.40 0.07 0.00 -1.11 0.00 0.00 56.01 51.73 3ddf n LEU 583 Cb 0.60 -0.90 0.20 0.00 0.53 0.00 0.00 43.42 43.85 3ddf n LEU 583 CO 0.43 1.14 0.66 0.00 -1.11 0.00 0.00 177.39 178.51 3ddf n ALA 584 N -0.39 2.60 -1.52 1.96 0.00 -1.26 -4.85 120.51 117.05 3ddf n ALA 584 Ca 0.43 -1.81 -0.13 0.00 0.00 0.00 0.00 53.44 51.93 3ddf n ALA 584 Cb 0.92 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 3ddf n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ddf n ASN 585 N -0.15 -4.52 -4.72 0.00 5.15 -0.52 -4.99 115.26 105.50 3ddf n ASN 585 Ca 0.16 0.27 -0.41 0.00 -0.60 0.00 0.00 54.58 54.01 3ddf n ASN 585 Cb 0.67 -3.26 -0.04 0.00 -0.53 0.00 0.00 39.78 36.62 3ddf n ASN 585 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3ddf s ASN 586 N -2.79 7.46 0.58 1.20 0.01 -1.26 -4.80 114.94 115.33 3ddf s ASN 586 Ca 0.00 1.78 -0.20 0.00 -0.71 0.00 0.00 52.86 53.73 3ddf s ASN 586 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3ddf s ASN 586 CO 0.00 -0.12 1.24 -2.84 -1.51 0.00 0.00 177.10 173.87 3ddf s PRO 587 N 0.22 3.04 -0.11 -0.60 0.02 -1.26 -1.53 135.00 134.78 3ddf s PRO 587 Ca 0.48 1.92 0.02 0.00 0.02 0.00 0.00 61.00 63.44 3ddf s PRO 587 Cb -0.23 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.27 3ddf s PRO 587 CO 0.30 -1.17 -0.18 0.08 -0.33 0.00 0.00 177.00 175.69 3ddf s VAL 588 N -1.51 1.70 0.33 3.83 1.01 -0.29 -4.85 120.40 120.61 3ddf s VAL 588 Ca 0.76 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 3ddf s VAL 588 Cb -0.33 -1.52 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 3ddf s VAL 588 CO 0.36 0.48 1.49 -0.70 0.00 0.00 0.00 175.10 176.73 3ddf s GLU 589 N 0.83 4.16 0.10 2.72 2.12 -1.26 -4.29 118.70 123.08 3ddf s GLU 589 Ca -0.09 2.50 0.00 0.00 0.36 0.00 0.00 54.97 57.74 3ddf s GLU 589 Cb -0.16 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3ddf s GLU 589 CO 0.00 -0.50 -0.02 0.00 -0.54 0.00 0.00 175.26 174.20 3ddf s ALA 590 N -0.70 0.87 -0.03 6.30 0.00 -0.33 -4.31 121.76 123.56 3ddf s ALA 590 Ca 0.56 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 51.19 3ddf s ALA 590 Cb -0.45 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 3ddf s ALA 590 CO 0.56 -0.34 -0.14 -1.14 0.00 0.00 0.00 175.76 174.70 3ddf s GLN 591 N -3.91 1.39 -0.10 0.00 0.74 -0.07 -1.20 119.66 116.51 3ddf s GLN 591 Ca 0.14 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 3ddf s GLN 591 Cb 0.07 -1.26 -0.03 0.00 1.10 0.00 0.00 33.01 32.89 3ddf s GLN 591 CO -0.04 0.22 -0.06 0.08 -0.55 0.00 0.00 175.29 174.94 3ddf s VAL 592 N 0.01 3.76 0.17 1.34 1.01 0.36 -0.52 120.40 126.52 3ddf s VAL 592 Ca -0.02 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3ddf s VAL 592 Cb -0.09 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3ddf s VAL 592 CO 0.01 0.56 -0.12 -0.44 0.00 0.00 0.00 175.10 175.11 3ddf s SER 593 N -0.35 2.16 0.97 3.32 0.01 -0.07 -1.67 113.70 118.08 3ddf s SER 593 Ca 0.05 -1.00 -0.12 0.00 1.31 0.00 0.00 55.95 56.19 3ddf s SER 593 Cb -0.12 -0.07 0.17 0.00 0.21 0.00 0.00 66.02 66.21 3ddf s SER 593 CO 0.02 -0.25 1.09 -2.84 0.41 0.00 0.00 173.24 171.67 3ddf s PRO 594 N -3.63 0.67 -0.44 12.44 0.02 -1.26 -0.94 135.00 141.86 3ddf s PRO 594 Ca 0.19 0.74 -0.16 0.00 0.02 0.00 0.00 61.00 61.79 3ddf s PRO 594 Cb 0.01 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.82 3ddf s PRO 594 CO 0.04 -2.62 0.37 0.08 -0.33 0.00 0.00 177.00 174.53 3ddf s VAL 595 N -2.88 5.20 -0.15 3.83 1.01 -1.26 -4.45 120.40 121.70 3ddf s VAL 595 Ca 0.65 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3ddf s VAL 595 Cb -0.19 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3ddf s VAL 595 CO 0.58 -0.44 0.07 0.26 0.00 0.00 0.00 175.10 175.57 3ddf s TRP 596 N 1.80 3.32 -0.09 5.22 0.52 -1.26 -1.33 118.94 127.11 3ddf s TRP 596 Ca 0.06 0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.42 3ddf s TRP 596 Cb -0.20 -2.01 0.01 0.00 -1.15 0.00 0.00 33.47 30.12 3ddf s TRP 596 CO 0.10 0.34 -0.18 -1.12 0.02 0.00 0.00 176.95 176.10 3ddf s SER 597 N -0.13 2.53 -0.04 2.95 0.01 -0.32 -4.95 113.70 113.75 3ddf s SER 597 Ca 0.07 -0.45 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 3ddf s SER 597 Cb -0.12 -1.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 3ddf s SER 597 CO 0.01 0.08 0.39 0.26 0.41 0.00 0.00 173.24 174.40 3ddf s TRP 598 N 0.60 3.65 -0.08 2.43 0.52 -1.26 -0.14 118.94 124.67 3ddf s TRP 598 Ca -0.14 0.91 0.04 0.00 0.02 0.00 0.00 56.10 56.92 3ddf s TRP 598 Cb -0.17 -2.33 0.00 0.00 -1.15 0.00 0.00 33.47 29.83 3ddf s TRP 598 CO 0.04 0.52 -0.19 -1.01 0.02 0.00 0.00 176.95 176.33 3ddf s HIS 599 N -0.60 2.08 -0.60 -1.98 3.76 -0.14 -4.95 115.29 112.86 3ddf s HIS 599 Ca 0.23 -0.79 -0.22 0.00 -0.15 0.00 0.00 55.06 54.14 3ddf s HIS 599 Cb -0.16 -1.42 0.07 0.00 1.11 0.00 0.00 32.58 32.18 3ddf s HIS 599 CO 0.11 -0.33 0.85 -1.58 -0.85 0.00 0.00 174.74 172.95 3ddf s HIS 600 N 0.37 2.82 -0.50 1.40 2.46 -1.26 -1.55 115.29 119.02 3ddf s HIS 600 Ca -0.15 -0.53 -0.25 0.00 0.47 0.00 0.00 55.06 54.60 3ddf s HIS 600 Cb -0.16 -4.08 0.03 0.00 -0.13 0.00 0.00 32.58 28.24 3ddf s HIS 600 CO 0.06 -1.43 0.94 0.34 -2.47 0.00 0.00 174.74 172.18 3ddf s ASP 601 N 3.36 6.42 0.12 9.88 -1.08 -0.12 -4.87 116.67 130.38 3ddf s ASP 601 Ca 0.20 -0.09 0.23 0.00 -0.52 0.00 0.00 52.55 52.37 3ddf s ASP 601 Cb -0.18 -2.45 0.91 0.00 -1.46 0.00 0.00 42.92 39.75 3ddf s ASP 601 CO 0.11 -1.14 1.71 0.35 0.52 0.00 0.00 175.17 176.73 3ddf n THR 602 N 6.32 0.62 -0.08 1.71 -2.24 -1.26 -0.12 114.28 119.23 3ddf n THR 602 Ca 0.04 0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.74 3ddf n THR 602 Cb 0.48 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 3ddf n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ddf h LEU 603 N 0.00 0.00 0.00 3.22 -0.00 -1.95 -3.39 115.31 113.19 3ddf h LEU 603 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 3ddf h LEU 603 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 3ddf h LEU 603 CO 0.00 1.11 -0.42 0.35 -0.00 0.00 0.00 178.44 179.48 3ddf n THR 604 N -4.55 0.31 -3.47 0.22 -2.24 -1.20 -4.94 114.28 98.40 3ddf n THR 604 Ca -0.18 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 3ddf n THR 604 Cb 0.47 -0.19 0.08 0.00 -2.10 0.00 0.00 70.33 68.59 3ddf n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ddf n LYS 605 N -1.98 -7.09 -4.24 -0.78 4.76 0.83 -5.02 118.16 104.65 3ddf n LYS 605 Ca 0.04 0.77 -0.14 0.00 -2.87 0.00 0.00 58.31 56.12 3ddf n LYS 605 Cb 0.41 -5.62 -0.10 0.00 -1.84 0.00 0.00 35.03 27.88 3ddf n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ddf s THR 606 N -3.30 1.07 -0.27 -0.18 -4.23 -1.18 -4.99 115.64 102.55 3ddf s THR 606 Ca 0.42 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 3ddf s THR 606 Cb -0.18 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.80 3ddf s THR 606 CO 0.67 -0.73 0.03 -0.63 -0.54 0.00 0.00 174.62 173.43 3ddf s ILE 607 N -3.39 3.64 0.06 2.99 1.01 -1.26 -0.94 121.20 123.30 3ddf s ILE 607 Ca 0.17 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3ddf s ILE 607 Cb 0.03 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.69 3ddf s ILE 607 CO 0.00 0.17 0.28 -1.38 0.00 0.00 0.00 174.94 174.01 3ddf s HIS 608 N 1.46 -0.05 0.09 3.97 -3.43 -0.60 -4.40 115.29 112.33 3ddf s HIS 608 Ca 0.03 -0.15 -0.13 0.00 -0.80 0.00 0.00 55.06 54.00 3ddf s HIS 608 Cb -0.17 0.07 -0.06 0.00 -1.43 0.00 0.00 32.58 30.99 3ddf s HIS 608 CO 0.00 -0.52 0.47 -1.25 -2.00 0.00 0.00 174.74 171.45 3ddf s PRO 609 N -2.86 3.91 0.01 -0.38 0.04 -1.26 -0.96 135.00 133.49 3ddf s PRO 609 Ca -0.03 0.39 0.06 0.00 0.04 0.00 0.00 61.00 61.46 3ddf s PRO 609 Cb 0.00 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 3ddf s PRO 609 CO -0.05 0.56 -0.17 -0.65 0.04 0.00 0.00 177.00 176.73 3ddf s GLN 610 N -1.71 2.23 0.01 4.56 -1.52 0.80 -4.93 119.66 119.12 3ddf s GLN 610 Ca 0.33 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.87 3ddf s GLN 610 Cb -0.15 -2.25 -0.04 0.00 -0.22 0.00 0.00 33.01 30.35 3ddf s GLN 610 CO 0.18 0.57 0.07 0.20 -0.25 0.00 0.00 175.29 176.06 3ddf s GLY 611 N -1.16 2.00 0.41 3.09 0.00 -1.26 -1.17 107.32 109.23 3ddf s GLY 611 Ca 0.13 -0.91 -0.23 0.00 0.00 0.00 0.00 44.72 43.71 3ddf s GLY 611 CO 0.03 -0.81 1.05 -0.45 0.00 0.00 0.00 173.10 172.93 3ddf s SER 612 N -1.85 6.69 0.00 1.64 0.15 -0.44 -4.89 113.70 115.00 3ddf s SER 612 Ca 0.24 2.02 0.14 0.00 0.70 0.00 0.00 55.95 59.05 3ddf s SER 612 Cb -0.12 -2.58 0.40 0.00 -1.71 0.00 0.00 66.02 62.01 3ddf s SER 612 CO 0.15 -0.54 1.33 0.35 1.20 0.00 0.00 173.24 175.73 3ddf n THR 613 N -0.22 0.96 -0.22 6.45 -2.24 -1.26 -4.56 114.28 113.19 3ddf n THR 613 Ca 0.06 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3ddf n THR 613 Cb 0.50 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3ddf n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ddf n THR 614 N 0.86 0.00 -4.11 4.28 -2.24 -1.26 -4.25 114.28 107.55 3ddf n THR 614 Ca 0.15 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 3ddf n THR 614 Cb 0.48 1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 69.73 3ddf n THR 614 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3ddf s LYS 615 N 0.00 0.50 0.07 -0.78 -2.85 -1.26 -4.51 119.74 110.92 3ddf s LYS 615 Ca 0.00 -0.52 0.01 0.00 -1.00 0.00 0.00 55.97 54.46 3ddf s LYS 615 Cb 0.00 -0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.36 3ddf s LYS 615 CO 0.00 0.08 -0.06 0.71 0.10 0.00 0.00 175.35 176.19 3ddf s TYR 616 N -0.84 0.73 -0.20 1.78 1.51 -0.17 -4.02 117.35 116.15 3ddf s TYR 616 Ca -0.05 -0.89 -0.09 0.00 -1.01 0.00 0.00 57.07 55.04 3ddf s TYR 616 Cb -0.07 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 3ddf s TYR 616 CO 0.00 -0.21 0.10 1.03 -1.11 0.00 0.00 175.55 175.36 3ddf s ARG 617 N -3.49 4.01 -0.09 -0.62 0.52 -0.12 -0.65 118.95 118.52 3ddf s ARG 617 Ca 0.07 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.96 3ddf s ARG 617 Cb 0.04 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 3ddf s ARG 617 CO -0.05 0.20 -0.04 -1.50 0.02 0.00 0.00 175.30 173.92 3ddf s ILE 618 N 0.60 3.91 -0.05 1.52 2.07 -0.20 -0.89 121.20 128.16 3ddf s ILE 618 Ca 0.05 -0.39 0.03 0.00 -1.41 0.00 0.00 60.65 58.93 3ddf s ILE 618 Cb -0.13 -2.63 0.01 0.00 0.13 0.00 0.00 42.46 39.84 3ddf s ILE 618 CO 0.01 0.58 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.85 3ddf s ILE 619 N -0.60 1.21 0.15 2.00 1.01 0.33 -1.16 121.20 124.13 3ddf s ILE 619 Ca 0.09 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3ddf s ILE 619 Cb -0.12 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.31 3ddf s ILE 619 CO 0.02 0.36 0.45 0.72 0.00 0.00 0.00 174.94 176.50 3ddf s PHE 620 N 0.41 -0.17 -0.33 3.97 -0.12 -0.63 -0.89 117.98 120.22 3ddf s PHE 620 Ca -0.10 -0.15 -0.24 0.00 -0.05 0.00 0.00 56.93 56.39 3ddf s PHE 620 Cb -0.14 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.57 3ddf s PHE 620 CO 0.03 -0.79 0.81 0.21 -0.05 0.00 0.00 175.22 175.43 3ddf s LYS 621 N -3.83 3.89 0.06 1.99 2.20 -1.26 -0.91 119.74 121.87 3ddf s LYS 621 Ca 0.06 0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 56.02 3ddf s LYS 621 Cb 0.01 -3.76 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 3ddf s LYS 621 CO -0.08 -0.77 0.50 0.00 -0.36 0.00 0.00 175.35 174.64 3ddf s ALA 622 N 3.09 3.63 -0.18 3.13 0.00 -0.39 -4.93 121.76 126.11 3ddf s ALA 622 Ca 0.33 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3ddf s ALA 622 Cb -0.13 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.49 3ddf s ALA 622 CO 0.15 0.44 -0.18 0.50 0.00 0.00 0.00 175.76 176.67 3ddf s ARG 623 N -1.24 2.74 -0.04 0.00 3.52 -1.26 -1.77 118.95 120.90 3ddf s ARG 623 Ca 0.28 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 3ddf s ARG 623 Cb -0.18 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 3ddf s ARG 623 CO 0.17 -0.26 -0.13 0.08 -0.81 0.00 0.00 175.30 174.36 3ddf s VAL 624 N 1.32 1.10 1.03 7.11 1.01 -0.44 -4.79 120.40 126.73 3ddf s VAL 624 Ca 0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3ddf s VAL 624 Cb -0.14 -0.97 0.21 0.00 0.00 0.00 0.00 36.38 35.48 3ddf s VAL 624 CO -0.12 0.33 1.08 -2.84 0.00 0.00 0.00 175.10 173.56 3ddf s PRO 625 N 0.25 0.14 0.20 2.72 0.02 -1.26 -1.94 135.00 135.13 3ddf s PRO 625 Ca -0.06 1.10 -0.33 0.00 0.02 0.00 0.00 61.00 61.74 3ddf s PRO 625 Cb -0.11 -1.66 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 3ddf s PRO 625 CO 0.02 -3.09 1.67 -2.30 -0.33 0.00 0.00 177.00 172.98 3ddf n PRO 626 N -4.50 2.58 -3.80 5.54 -0.02 -1.25 -2.05 135.00 131.50 3ddf n PRO 626 Ca 0.07 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 62.18 3ddf n PRO 626 Cb 0.54 -2.75 0.01 0.00 -0.02 0.00 0.00 33.50 31.27 3ddf n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ddf n MET 627 N 3.74 -4.39 -2.97 -0.52 2.81 -0.49 -4.74 117.12 110.56 3ddf n MET 627 Ca 0.16 0.53 -0.09 0.00 -1.81 0.00 0.00 57.70 56.48 3ddf n MET 627 Cb 0.33 -5.34 -0.03 0.00 -0.71 0.00 0.00 33.22 27.47 3ddf n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddf n GLY 628 N -1.48 3.67 3.07 3.03 0.00 -0.87 -4.82 105.19 107.80 3ddf n GLY 628 Ca 0.03 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 3ddf n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddf s LEU 629 N 0.00 2.17 -0.01 0.99 1.43 -0.18 -1.31 118.68 121.77 3ddf s LEU 629 Ca 0.12 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3ddf s LEU 629 Cb 0.01 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.87 3ddf s LEU 629 CO 0.08 -0.05 -0.01 0.00 0.23 0.00 0.00 176.35 176.61 3ddf s ALA 630 N -0.89 0.19 -0.13 4.21 0.00 -0.51 -1.40 121.76 123.23 3ddf s ALA 630 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 3ddf s ALA 630 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3ddf s ALA 630 CO 0.01 -0.01 0.03 0.99 0.00 0.00 0.00 175.76 176.77 3ddf s THR 631 N 0.43 4.54 0.21 0.00 2.01 -0.56 -1.07 115.64 121.20 3ddf s THR 631 Ca -0.04 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 61.86 3ddf s THR 631 Cb -0.06 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3ddf s THR 631 CO -0.01 0.55 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.10 3ddf s TYR 632 N -0.37 1.56 -0.05 4.92 1.51 0.13 -3.36 117.35 121.69 3ddf s TYR 632 Ca 0.08 -0.80 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 3ddf s TYR 632 Cb -0.12 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.88 3ddf s TYR 632 CO 0.02 0.10 -0.15 0.08 -1.11 0.00 0.00 175.55 174.48 3ddf s VAL 633 N -3.27 1.32 -0.22 0.71 1.01 0.05 -1.16 120.40 118.84 3ddf s VAL 633 Ca 0.25 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3ddf s VAL 633 Cb 0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3ddf s VAL 633 CO 0.07 0.39 0.06 -0.76 0.00 0.00 0.00 175.10 174.86 3ddf s LEU 634 N 0.22 3.60 -0.04 3.92 1.43 -0.06 -1.32 118.68 126.44 3ddf s LEU 634 Ca -0.07 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3ddf s LEU 634 Cb -0.13 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3ddf s LEU 634 CO 0.03 0.07 -0.17 -0.89 0.23 0.00 0.00 176.35 175.61 3ddf s THR 635 N 1.02 1.41 0.37 5.49 2.01 -0.12 -0.91 115.64 124.89 3ddf s THR 635 Ca 0.04 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 3ddf s THR 635 Cb -0.14 -1.20 -0.10 0.00 0.01 0.00 0.00 72.50 71.07 3ddf s THR 635 CO 0.03 0.40 0.82 -0.51 -0.69 0.00 0.00 174.62 174.67 3ddf s ILE 636 N -0.06 4.58 0.23 1.82 2.07 -0.40 -1.31 121.20 128.13 3ddf s ILE 636 Ca -0.01 1.14 0.04 0.00 -1.41 0.00 0.00 60.65 60.41 3ddf s ILE 636 Cb -0.10 -3.61 -0.05 0.00 0.13 0.00 0.00 42.46 38.82 3ddf s ILE 636 CO 0.01 -0.25 -0.02 -0.55 -1.91 0.00 0.00 174.94 172.22 3ddf s SER 637 N -2.28 2.03 0.14 4.50 0.15 -0.08 -4.95 113.70 113.21 3ddf s SER 637 Ca 0.57 -1.19 0.26 0.00 0.70 0.00 0.00 55.95 56.29 3ddf s SER 637 Cb -0.10 -0.03 0.81 0.00 -1.71 0.00 0.00 66.02 64.99 3ddf s SER 637 CO 0.16 -0.46 1.72 -0.90 1.20 0.00 0.00 173.24 174.96 3ddf n ASP 638 N -0.43 0.61 -3.11 5.45 5.75 -1.26 -4.73 116.55 118.83 3ddf n ASP 638 Ca -0.06 0.44 -0.13 0.00 -0.01 0.00 0.00 54.79 55.03 3ddf n ASP 638 Cb 0.63 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 3ddf n ASP 638 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3ddf s SER 639 N -4.09 0.73 -0.03 -1.12 1.04 -1.26 -5.06 113.70 103.92 3ddf s SER 639 Ca 0.11 -1.42 -0.34 0.00 0.48 0.00 0.00 55.95 54.77 3ddf s SER 639 Cb 0.14 0.72 -0.12 0.00 0.10 0.00 0.00 66.02 66.86 3ddf s SER 639 CO 0.61 -1.42 1.82 0.29 0.98 0.00 0.00 173.24 175.51 3ddf n LYS 640 N -0.57 2.20 -2.00 4.02 5.02 -1.26 -4.82 118.16 120.75 3ddf n LYS 640 Ca -0.01 0.80 -0.32 0.00 -2.02 0.00 0.00 58.31 56.76 3ddf n LYS 640 Cb 0.61 -2.64 0.01 0.00 -0.02 0.00 0.00 35.03 32.99 3ddf n LYS 640 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ddf s PRO 641 N 3.36 3.39 0.27 1.97 0.05 -1.26 -4.97 135.00 137.81 3ddf s PRO 641 Ca 0.89 1.06 -0.01 0.00 0.05 0.00 0.00 61.00 62.99 3ddf s PRO 641 Cb -0.68 -2.05 0.45 0.00 0.05 0.00 0.00 34.50 32.27 3ddf s PRO 641 CO 0.48 -0.74 1.88 1.49 0.05 0.00 0.00 177.00 180.16 3ddf h GLU 642 N 0.21 1.10 -0.48 4.56 4.81 -1.98 -2.99 114.58 119.82 3ddf h GLU 642 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3ddf h GLU 642 Cb 1.21 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3ddf h GLU 642 CO 0.58 0.73 0.00 0.72 -0.73 0.00 0.00 179.01 180.31 3ddf n HIS 643 N -4.52 1.51 -4.80 0.92 8.25 -1.26 -4.88 115.22 110.45 3ddf n HIS 643 Ca 0.16 -0.73 -0.32 0.00 -0.26 0.00 0.00 57.72 56.57 3ddf n HIS 643 Cb 0.21 -0.36 -0.17 0.00 1.12 0.00 0.00 29.99 30.79 3ddf n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ddf s THR 644 N -2.47 1.98 0.36 1.59 2.01 -1.13 -1.18 115.64 116.81 3ddf s THR 644 Ca 0.48 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.61 3ddf s THR 644 Cb 0.36 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3ddf s THR 644 CO 0.16 0.54 0.31 -0.94 -0.69 0.00 0.00 174.62 173.99 3ddf s SER 645 N 0.70 5.14 -0.09 3.53 1.04 -0.34 -4.68 113.70 119.01 3ddf s SER 645 Ca -0.10 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.74 3ddf s SER 645 Cb -0.16 -0.81 0.01 0.00 0.10 0.00 0.00 66.02 65.16 3ddf s SER 645 CO 0.01 -0.45 -0.17 -0.31 0.98 0.00 0.00 173.24 173.29 3ddf s TYR 646 N -2.38 1.98 0.48 5.02 1.51 -1.26 -0.49 117.35 122.22 3ddf s TYR 646 Ca 0.43 -0.82 -0.22 0.00 -1.01 0.00 0.00 57.07 55.45 3ddf s TYR 646 Cb -0.04 -1.39 -0.07 0.00 -0.11 0.00 0.00 41.96 40.35 3ddf s TYR 646 CO 0.27 -0.38 1.18 0.00 -1.11 0.00 0.00 175.55 175.51 3ddf s ALA 647 N 0.62 2.91 0.52 3.71 0.00 -0.67 -4.92 121.76 123.92 3ddf s ALA 647 Ca -0.14 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3ddf s ALA 647 Cb -0.16 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3ddf s ALA 647 CO 0.04 -0.75 0.89 -1.54 0.00 0.00 0.00 175.76 174.41 3ddf s SER 648 N -1.40 6.33 -0.02 0.00 1.04 -0.14 -4.84 113.70 114.68 3ddf s SER 648 Ca 0.66 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3ddf s SER 648 Cb -0.29 -2.37 0.03 0.00 0.10 0.00 0.00 66.02 63.49 3ddf s SER 648 CO 0.34 -0.66 0.02 0.20 0.98 0.00 0.00 173.24 174.13 3ddf s ASN 649 N -3.88 0.08 -0.10 7.02 0.01 -1.26 -1.15 114.94 115.66 3ddf s ASN 649 Ca 0.52 0.03 -0.00 0.00 -0.71 0.00 0.00 52.86 52.70 3ddf s ASN 649 Cb -0.11 -0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.51 3ddf s ASN 649 CO 0.45 -0.11 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.64 3ddf s LEU 650 N 0.91 1.13 -0.31 0.60 2.96 0.30 -0.99 118.68 123.28 3ddf s LEU 650 Ca -0.08 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 3ddf s LEU 650 Cb -0.11 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 3ddf s LEU 650 CO -0.02 -0.12 0.14 -0.22 -1.32 0.00 0.00 176.35 174.81 3ddf s LEU 651 N 1.64 4.09 -0.35 -0.68 1.98 0.11 -0.44 118.68 125.03 3ddf s LEU 651 Ca 0.03 -0.59 -0.11 0.00 -2.89 0.00 0.00 54.13 50.56 3ddf s LEU 651 Cb -0.13 -1.98 0.01 0.00 0.66 0.00 0.00 46.19 44.75 3ddf s LEU 651 CO -0.07 -0.21 0.21 -0.76 -1.89 0.00 0.00 176.35 173.64 3ddf s LEU 652 N 1.59 4.56 -0.21 -0.68 1.43 0.66 -1.88 118.68 124.15 3ddf s LEU 652 Ca 0.04 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 3ddf s LEU 652 Cb -0.17 -2.05 0.15 0.00 0.03 0.00 0.00 46.19 44.14 3ddf s LEU 652 CO 0.05 -0.31 1.12 0.00 0.23 0.00 0.00 176.35 177.44 3ddf s ARG 653 N 1.61 0.41 0.60 1.70 1.70 -0.19 -1.81 118.95 122.97 3ddf s ARG 653 Ca 0.04 0.12 -0.15 0.00 -0.47 0.00 0.00 55.73 55.26 3ddf s ARG 653 Cb -0.18 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.36 3ddf s ARG 653 CO 0.08 -0.13 1.06 0.15 -1.08 0.00 0.00 175.30 175.38 3ddf s LYS 654 N -1.00 3.29 -1.18 3.89 1.02 -1.26 -4.25 119.74 120.24 3ddf s LYS 654 Ca 0.02 1.19 -0.05 0.00 0.02 0.00 0.00 55.97 57.15 3ddf s LYS 654 Cb -0.01 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 3ddf s LYS 654 CO -0.02 -0.84 1.01 -1.71 -0.92 0.00 0.00 175.35 172.88 3ddf n ASN 655 N -2.11 -4.23 -4.81 2.83 4.05 -1.26 -4.95 115.26 104.78 3ddf n ASN 655 Ca 0.09 -0.53 -0.32 0.00 0.45 0.00 0.00 54.58 54.27 3ddf n ASN 655 Cb 0.53 -4.70 0.03 0.00 1.23 0.00 0.00 39.78 36.86 3ddf n ASN 655 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3ddf s PRO 656 N -5.77 3.17 0.27 1.20 0.04 -1.26 -5.07 135.00 127.58 3ddf s PRO 656 Ca 0.30 1.09 0.06 0.00 0.04 0.00 0.00 61.00 62.48 3ddf s PRO 656 Cb -0.13 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3ddf s PRO 656 CO 0.67 -0.92 -0.04 0.95 0.04 0.00 0.00 177.00 177.71 3ddf s THR 657 N -2.71 1.47 0.83 1.26 -4.23 -1.26 -5.14 115.64 105.86 3ddf s THR 657 Ca 0.61 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.92 3ddf s THR 657 Cb -0.15 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.32 3ddf s THR 657 CO 0.44 -0.28 1.14 -0.94 -0.54 0.00 0.00 174.62 174.45 3ddf s SER 658 N -3.42 3.72 -0.41 3.99 1.04 -1.26 -5.00 113.70 112.36 3ddf s SER 658 Ca 0.30 2.11 0.04 0.00 0.48 0.00 0.00 55.95 58.87 3ddf s SER 658 Cb 0.05 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.78 3ddf s SER 658 CO 0.11 -2.57 0.34 -0.76 0.98 0.00 0.00 173.24 171.35 3ddf s LEU 659 N -6.05 1.25 0.52 2.42 1.43 -1.26 -5.10 118.68 111.89 3ddf s LEU 659 Ca 0.67 -2.93 -0.20 0.00 -1.03 0.00 0.00 54.13 50.63 3ddf s LEU 659 Cb -0.22 -0.35 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 3ddf s LEU 659 CO 0.54 -0.18 1.13 -2.16 0.23 0.00 0.00 176.35 175.91 3ddf s PRO 660 N 0.20 3.48 -0.08 1.29 0.04 -1.26 -4.59 135.00 134.07 3ddf s PRO 660 Ca 0.31 1.62 0.17 0.00 0.04 0.00 0.00 61.00 63.14 3ddf s PRO 660 Cb 0.01 -2.09 0.36 0.00 0.04 0.00 0.00 34.50 32.81 3ddf s PRO 660 CO -0.17 -0.75 1.16 1.28 0.04 0.00 0.00 177.00 178.56 3ddf n LEU 661 N -1.10 1.54 0.00 -3.56 4.77 -1.26 -4.69 117.00 112.70 3ddf n LEU 661 Ca 0.11 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 3ddf n LEU 661 Cb 0.51 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3ddf n LEU 661 CO 0.43 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 3ddf n GLY 662 N -0.27 3.57 0.00 -0.72 0.00 -1.26 -1.92 105.19 104.59 3ddf n GLY 662 Ca 0.10 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3ddf n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ddf n GLN 663 N 14.00 0.52 -1.70 1.61 6.02 -1.26 -4.86 117.38 131.72 3ddf n GLN 663 Ca 0.00 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.59 3ddf n GLN 663 Cb 0.00 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 3ddf n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3ddf n TYR 664 N -1.18 2.62 1.14 1.08 9.36 -0.81 -4.87 117.16 124.50 3ddf n TYR 664 Ca 0.15 -0.01 0.14 0.00 3.32 0.00 0.00 57.90 61.49 3ddf n TYR 664 Cb 0.16 -2.68 0.65 0.00 -0.63 0.00 0.00 39.34 36.84 3ddf n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3ddf n PRO 665 N 4.69 0.21 -4.20 2.98 -0.04 -1.26 -4.71 135.00 132.67 3ddf n PRO 665 Ca 0.17 0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 3ddf n PRO 665 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 3ddf n PRO 665 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ddf s GLU 666 N -2.78 3.49 0.28 0.54 0.41 -1.26 -5.10 118.70 114.27 3ddf s GLU 666 Ca 0.20 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.87 3ddf s GLU 666 Cb 0.18 -2.94 -0.10 0.00 -1.78 0.00 0.00 34.13 29.50 3ddf s GLU 666 CO 0.46 0.01 1.22 -0.51 -0.49 0.00 0.00 175.26 175.94 3ddf s ASP 667 N 0.96 7.01 0.39 -0.19 1.01 -1.26 -4.92 116.67 119.66 3ddf s ASP 667 Ca -0.00 2.44 -0.27 0.00 0.71 0.00 0.00 52.55 55.43 3ddf s ASP 667 Cb -0.15 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.06 3ddf s ASP 667 CO 0.01 -0.37 1.39 -0.69 0.21 0.00 0.00 175.17 175.72 3ddf s VAL 668 N -0.86 2.34 0.19 -1.27 1.01 -1.26 -4.73 120.40 115.82 3ddf s VAL 668 Ca 0.49 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.85 3ddf s VAL 668 Cb -0.36 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3ddf s VAL 668 CO 0.45 0.07 0.12 -0.54 0.00 0.00 0.00 175.10 175.19 3ddf s LYS 669 N -2.12 2.81 0.12 2.72 -0.14 -0.16 -4.99 119.74 117.98 3ddf s LYS 669 Ca 0.54 -0.96 0.07 0.00 -1.36 0.00 0.00 55.97 54.26 3ddf s LYS 669 Cb -0.42 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 3ddf s LYS 669 CO 0.56 0.46 -0.16 -0.06 -0.76 0.00 0.00 175.35 175.39 3ddf s PHE 670 N -1.84 1.53 0.14 3.18 0.40 -1.26 -0.71 117.98 119.43 3ddf s PHE 670 Ca 0.31 -0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 55.88 3ddf s PHE 670 Cb -0.09 -0.80 0.06 0.00 0.51 0.00 0.00 43.02 42.70 3ddf s PHE 670 CO 0.23 0.19 0.87 0.20 0.70 0.00 0.00 175.22 177.40 3ddf s GLY 671 N -2.34 -0.29 0.58 4.36 0.00 -0.79 -4.91 107.32 103.93 3ddf s GLY 671 Ca 0.09 0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.88 3ddf s GLY 671 CO 0.04 0.07 1.16 0.99 0.00 0.00 0.00 173.10 175.36 3ddf s ASP 672 N -2.83 5.39 0.23 1.64 1.01 -1.26 -1.02 116.67 119.83 3ddf s ASP 672 Ca 0.09 2.26 -0.30 0.00 0.71 0.00 0.00 52.55 55.31 3ddf s ASP 672 Cb -0.02 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.17 3ddf s ASP 672 CO -0.01 -1.45 1.07 -2.65 0.21 0.00 0.00 175.17 172.35 3ddf n PRO 673 N -1.57 1.24 -3.50 8.23 -0.02 -1.26 -4.67 135.00 133.44 3ddf n PRO 673 Ca 0.12 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3ddf n PRO 673 Cb 0.50 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 3ddf n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3ddf s ARG 674 N -0.96 1.18 0.55 -0.52 1.70 -1.26 -5.00 118.95 114.64 3ddf s ARG 674 Ca 0.66 -0.47 -0.21 0.00 -0.47 0.00 0.00 55.73 55.24 3ddf s ARG 674 Cb -0.77 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.10 3ddf s ARG 674 CO 0.56 -0.49 1.26 -1.21 -1.08 0.00 0.00 175.30 174.35 3ddf s GLU 675 N -3.46 3.18 0.05 3.89 2.02 -1.26 -4.15 118.70 118.96 3ddf s GLU 675 Ca 0.00 1.99 -0.02 0.00 0.02 0.00 0.00 54.97 56.96 3ddf s GLU 675 Cb -0.00 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 3ddf s GLU 675 CO -0.10 -1.08 0.01 0.96 0.02 0.00 0.00 175.26 175.07 3ddf s ILE 676 N -1.45 0.19 0.02 -1.63 -4.36 -0.88 -4.97 121.20 108.11 3ddf s ILE 676 Ca 0.72 -1.54 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 3ddf s ILE 676 Cb -0.34 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.08 3ddf s ILE 676 CO 0.40 -0.85 -0.11 -0.44 0.24 0.00 0.00 174.94 174.18 3ddf s SER 677 N -2.64 1.23 0.03 4.36 0.01 -1.26 -0.50 113.70 114.92 3ddf s SER 677 Ca 0.03 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3ddf s SER 677 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 3ddf s SER 677 CO -0.08 0.00 -0.05 -0.76 0.41 0.00 0.00 173.24 172.76 3ddf s LEU 678 N -0.90 2.22 -0.04 2.44 1.43 -0.26 -4.99 118.68 118.57 3ddf s LEU 678 Ca -0.00 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3ddf s LEU 678 Cb -0.07 -0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.16 3ddf s LEU 678 CO 0.01 -0.22 0.08 -0.60 0.23 0.00 0.00 176.35 175.84 3ddf s ARG 679 N -1.34 -0.01 -0.14 1.70 3.52 -1.26 -1.13 118.95 120.29 3ddf s ARG 679 Ca -0.12 0.33 -0.05 0.00 -0.13 0.00 0.00 55.73 55.76 3ddf s ARG 679 Cb -0.09 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.97 3ddf s ARG 679 CO -0.00 -0.22 0.02 0.08 -0.81 0.00 0.00 175.30 174.37 3ddf s VAL 680 N 1.51 4.47 0.00 7.11 1.01 -1.26 -5.00 120.40 128.24 3ddf s VAL 680 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3ddf s VAL 680 Cb -0.12 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3ddf s VAL 680 CO -0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3ddf n GLY 681 N 2.97 2.85 1.36 4.51 0.00 -1.26 -1.93 105.19 113.70 3ddf n GLY 681 Ca -0.18 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.73 3ddf n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ddf n ASN 682 N 1.81 4.00 -2.22 1.61 3.02 -1.26 -4.99 115.26 117.24 3ddf n ASN 682 Ca 0.00 -2.23 -0.02 0.00 -0.03 0.00 0.00 54.58 52.30 3ddf n ASN 682 Cb 0.00 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.68 3ddf n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ddf n GLY 683 N 1.27 -1.48 3.77 7.41 0.00 -0.81 -4.96 105.19 110.39 3ddf n GLY 683 Ca 0.23 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 3ddf n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ddf s PRO 684 N -3.16 2.38 -0.26 1.61 0.04 -1.26 -4.80 135.00 129.55 3ddf s PRO 684 Ca 0.04 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 3ddf s PRO 684 Cb -0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 3ddf s PRO 684 CO 0.03 -1.56 0.21 0.99 0.04 0.00 0.00 177.00 176.71 3ddf s THR 685 N -2.78 5.31 -0.12 1.26 2.01 -0.29 -4.31 115.64 116.72 3ddf s THR 685 Ca 0.62 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.86 3ddf s THR 685 Cb -0.18 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 3ddf s THR 685 CO 0.53 0.29 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.91 3ddf s LEU 686 N 1.43 3.09 -0.02 4.42 1.02 -0.29 -0.76 118.68 127.57 3ddf s LEU 686 Ca 0.09 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.12 3ddf s LEU 686 Cb -0.15 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 3ddf s LEU 686 CO 0.08 0.22 -0.08 0.00 0.02 0.00 0.00 176.35 176.59 3ddf s ALA 687 N 0.03 2.93 0.04 4.21 0.00 -0.68 -1.10 121.76 127.19 3ddf s ALA 687 Ca -0.01 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.03 3ddf s ALA 687 Cb -0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3ddf s ALA 687 CO 0.03 0.59 -0.20 -0.06 0.00 0.00 0.00 175.76 176.12 3ddf s PHE 688 N -0.90 1.75 1.02 0.00 0.40 0.34 -0.31 117.98 120.28 3ddf s PHE 688 Ca 0.15 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 3ddf s PHE 688 Cb -0.11 -1.05 0.20 0.00 0.51 0.00 0.00 43.02 42.58 3ddf s PHE 688 CO 0.04 0.08 1.08 -1.54 0.70 0.00 0.00 175.22 175.59 3ddf s SER 689 N -1.12 2.37 0.05 1.36 1.04 0.22 -2.08 113.70 115.54 3ddf s SER 689 Ca 0.07 1.24 0.14 0.00 0.48 0.00 0.00 55.95 57.87 3ddf s SER 689 Cb -0.09 -1.92 0.60 0.00 0.10 0.00 0.00 66.02 64.72 3ddf s SER 689 CO 0.02 -3.30 1.44 -1.84 0.98 0.00 0.00 173.24 170.54 3ddf n GLU 690 N -4.29 0.04 -1.19 4.02 0.28 -1.26 -1.24 120.64 116.99 3ddf n GLU 690 Ca 0.05 0.33 -0.20 0.00 -0.16 0.00 0.00 57.16 57.18 3ddf n GLU 690 Cb 0.57 -1.58 0.21 0.00 1.43 0.00 0.00 31.44 32.07 3ddf n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3ddf n GLN 691 N -1.65 2.56 -1.30 3.44 6.02 -1.26 -4.44 117.38 120.75 3ddf n GLN 691 Ca 0.03 -3.03 -0.10 0.00 -0.01 0.00 0.00 57.00 53.88 3ddf n GLN 691 Cb 0.15 -2.19 -0.04 0.00 1.02 0.00 0.00 30.24 29.17 3ddf n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddf n GLY 692 N -0.94 1.14 3.56 1.08 0.00 -0.38 -4.96 105.19 104.70 3ddf n GLY 692 Ca 0.56 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 3ddf n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddf s LEU 693 N -2.38 3.17 0.27 0.99 1.43 -1.26 -4.75 118.68 116.14 3ddf s LEU 693 Ca 0.00 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 3ddf s LEU 693 Cb 0.00 -1.70 -0.14 0.00 0.03 0.00 0.00 46.19 44.38 3ddf s LEU 693 CO 0.00 0.33 1.18 -0.11 0.23 0.00 0.00 176.35 177.98 3ddf n LEU 694 N 2.47 2.40 0.00 1.79 7.94 -1.26 -0.61 117.00 129.73 3ddf n LEU 694 Ca -0.18 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3ddf n LEU 694 Cb 0.53 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.13 3ddf n LEU 694 CO 0.28 -0.99 -0.43 2.29 -1.11 0.00 0.00 177.39 177.43 3ddf n LYS 695 N 1.17 2.22 -3.48 1.96 2.85 0.58 -2.22 118.16 121.24 3ddf n LYS 695 Ca 0.10 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.21 3ddf n LYS 695 Cb 0.31 -0.93 -0.04 0.00 -0.65 0.00 0.00 35.03 33.73 3ddf n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3ddf s SER 696 N -2.24 -0.60 -0.09 -5.58 1.04 -1.11 -1.48 113.70 103.64 3ddf s SER 696 Ca 0.00 0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.76 3ddf s SER 696 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3ddf s SER 696 CO 0.00 -0.80 -0.14 -0.63 0.98 0.00 0.00 173.24 172.65 3ddf s ILE 697 N -2.56 1.35 -0.31 -1.02 1.01 -0.51 -1.68 121.20 117.48 3ddf s ILE 697 Ca -0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 3ddf s ILE 697 Cb -0.01 -1.24 0.04 0.00 0.01 0.00 0.00 42.46 41.26 3ddf s ILE 697 CO -0.02 0.41 0.04 -1.58 0.00 0.00 0.00 174.94 173.78 3ddf s GLN 698 N 0.92 2.54 0.17 2.79 0.74 0.06 -0.74 119.66 126.14 3ddf s GLN 698 Ca -0.09 -1.21 -0.08 0.00 0.05 0.00 0.00 55.36 54.03 3ddf s GLN 698 Cb -0.15 -3.28 0.04 0.00 1.10 0.00 0.00 33.01 30.72 3ddf s GLN 698 CO 0.00 -0.62 1.53 -0.07 -0.55 0.00 0.00 175.29 175.57 3ddf h LEU 699 N 8.08 0.90 -9.00 3.68 3.38 -1.86 -0.76 115.31 119.73 3ddf h LEU 699 Ca -0.23 -0.39 -0.39 0.00 0.09 0.00 0.00 57.88 56.96 3ddf h LEU 699 Cb 1.07 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.43 3ddf h LEU 699 CO 0.56 1.16 -0.60 0.42 0.09 0.00 0.00 178.44 180.07 3ddf s THR 700 N -4.42 0.68 0.36 0.22 -4.23 -1.26 -4.16 115.64 102.83 3ddf s THR 700 Ca -0.10 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.71 3ddf s THR 700 Cb 0.12 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.63 3ddf s THR 700 CO 0.86 0.00 2.06 1.56 -0.54 0.00 0.00 174.62 178.56 3ddf h GLN 701 N 2.27 0.00 -0.02 3.99 7.50 -1.93 -2.70 115.11 124.22 3ddf h GLN 701 Ca -0.38 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.77 3ddf h GLN 701 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.78 3ddf h GLN 701 CO 0.62 0.10 -0.02 -0.40 -1.50 0.00 0.00 178.83 177.63 3ddf n ASP 702 N -3.45 2.30 -4.86 1.46 3.85 -1.26 -5.01 116.55 109.57 3ddf n ASP 702 Ca -0.01 -1.65 -0.27 0.00 -0.71 0.00 0.00 54.79 52.15 3ddf n ASP 702 Cb 0.25 0.03 0.08 0.00 -1.35 0.00 0.00 41.12 40.14 3ddf n ASP 702 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3ddf s SER 703 N -1.39 4.63 0.61 -1.12 1.04 -1.02 -5.02 113.70 111.43 3ddf s SER 703 Ca 0.18 0.48 -0.18 0.00 0.48 0.00 0.00 55.95 56.91 3ddf s SER 703 Cb 0.13 -1.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.18 3ddf s SER 703 CO 0.22 -1.74 1.21 -2.84 0.98 0.00 0.00 173.24 171.06 3ddf s PRO 704 N -5.35 2.87 -0.78 4.02 0.02 -1.26 -4.86 135.00 129.66 3ddf s PRO 704 Ca 0.62 1.81 -0.25 0.00 0.02 0.00 0.00 61.00 63.20 3ddf s PRO 704 Cb -0.10 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.55 3ddf s PRO 704 CO 0.46 -1.29 1.23 -1.01 -0.33 0.00 0.00 177.00 176.06 3ddf s HIS 705 N -1.66 2.45 -0.12 6.54 3.76 -1.26 -4.24 115.29 120.76 3ddf s HIS 705 Ca 0.77 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 55.03 3ddf s HIS 705 Cb -0.30 -4.55 -0.02 0.00 1.11 0.00 0.00 32.58 28.82 3ddf s HIS 705 CO 0.35 -1.93 1.21 0.08 -0.85 0.00 0.00 174.74 173.59 3ddf s VAL 706 N 5.09 4.32 0.06 -0.90 1.01 0.09 -4.79 120.40 125.28 3ddf s VAL 706 Ca 0.34 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.63 3ddf s VAL 706 Cb -0.09 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3ddf s VAL 706 CO 0.09 -0.08 1.87 -2.84 0.00 0.00 0.00 175.10 174.14 3ddf s PRO 707 N 2.86 4.15 -0.25 2.72 0.02 -1.26 -1.42 135.00 141.81 3ddf s PRO 707 Ca 0.54 2.55 -0.02 0.00 0.02 0.00 0.00 61.00 64.09 3ddf s PRO 707 Cb -0.22 -3.90 0.12 0.00 0.02 0.00 0.00 34.50 30.51 3ddf s PRO 707 CO 0.17 -0.89 0.27 0.08 -0.33 0.00 0.00 177.00 176.30 3ddf s VAL 708 N 3.68 -0.38 -0.13 3.83 1.01 -0.55 -4.16 120.40 123.70 3ddf s VAL 708 Ca 0.83 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3ddf s VAL 708 Cb -0.43 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 3ddf s VAL 708 CO 0.38 -0.33 -0.19 -1.00 0.00 0.00 0.00 175.10 173.95 3ddf s HIS 709 N 2.36 2.69 0.16 5.22 3.76 -0.26 -2.96 115.29 126.26 3ddf s HIS 709 Ca 0.09 -1.05 -0.24 0.00 -0.15 0.00 0.00 55.06 53.71 3ddf s HIS 709 Cb -0.15 -1.81 -0.08 0.00 1.11 0.00 0.00 32.58 31.65 3ddf s HIS 709 CO -0.23 -0.44 0.76 -0.06 -0.85 0.00 0.00 174.74 173.92 3ddf s PHE 710 N 0.59 3.88 -0.08 1.40 2.99 -0.94 -0.79 117.98 125.03 3ddf s PHE 710 Ca -0.11 1.59 -0.09 0.00 0.00 0.00 0.00 56.93 58.32 3ddf s PHE 710 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 43.02 40.14 3ddf s PHE 710 CO 0.03 0.51 0.25 0.21 -0.00 0.00 0.00 175.22 176.22 3ddf s LYS 711 N -1.21 0.33 -0.13 0.44 2.20 -0.14 -4.74 119.74 116.49 3ddf s LYS 711 Ca 0.36 0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 3ddf s LYS 711 Cb -0.22 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 3ddf s LYS 711 CO 0.25 -0.05 0.01 -0.06 -0.36 0.00 0.00 175.35 175.14 3ddf s PHE 712 N -0.06 3.15 0.24 4.03 0.40 -1.26 -0.39 117.98 124.09 3ddf s PHE 712 Ca -0.02 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 3ddf s PHE 712 Cb -0.02 -1.91 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 3ddf s PHE 712 CO 0.01 0.26 0.08 -0.51 0.70 0.00 0.00 175.22 175.75 3ddf s LEU 713 N -0.24 1.70 -0.03 -0.37 1.02 -0.52 -1.55 118.68 118.68 3ddf s LEU 713 Ca 0.06 -1.34 0.03 0.00 0.02 0.00 0.00 54.13 52.90 3ddf s LEU 713 Cb -0.12 0.03 -0.00 0.00 0.02 0.00 0.00 46.19 46.12 3ddf s LEU 713 CO 0.02 -0.71 -0.13 -1.59 0.02 0.00 0.00 176.35 173.97 3ddf s LYS 714 N -4.02 1.33 0.01 1.70 -2.85 0.48 -0.94 119.74 115.44 3ddf s LYS 714 Ca 0.35 -0.45 -0.02 0.00 -1.00 0.00 0.00 55.97 54.86 3ddf s LYS 714 Cb 0.07 -1.19 -0.04 0.00 -2.06 0.00 0.00 37.83 34.61 3ddf s LYS 714 CO 0.12 0.18 0.18 0.71 0.10 0.00 0.00 175.35 176.63 3ddf s TYR 715 N 0.11 3.51 0.00 1.78 1.51 0.07 -0.93 117.35 123.41 3ddf s TYR 715 Ca -0.03 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 3ddf s TYR 715 Cb -0.10 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3ddf s TYR 715 CO 0.01 0.62 0.00 0.41 -1.11 0.00 0.00 175.55 175.49 3ddf n GLY 716 N 0.80 4.39 3.30 0.71 0.00 -1.26 -1.15 105.19 111.98 3ddf n GLY 716 Ca -0.10 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 3ddf n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddf s VAL 717 N 0.85 1.77 0.33 1.61 1.01 -1.25 -3.24 120.40 121.48 3ddf s VAL 717 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 61.98 60.11 3ddf s VAL 717 Cb 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 3ddf s VAL 717 CO 0.00 -0.07 1.14 -0.13 0.00 0.00 0.00 175.10 176.04 3ddf s ARG 718 N -2.00 4.40 0.00 2.72 0.52 -1.26 -4.64 118.95 118.69 3ddf s ARG 718 Ca 0.08 1.84 0.24 0.00 -0.52 0.00 0.00 55.73 57.37 3ddf s ARG 718 Cb -0.10 -2.96 0.35 0.00 0.52 0.00 0.00 34.95 32.76 3ddf s ARG 718 CO 0.05 -0.02 1.30 -1.13 0.02 0.00 0.00 175.30 175.52 3ddf n SER 719 N 0.70 0.78 -4.08 0.23 3.41 -1.26 -4.82 113.62 108.59 3ddf n SER 719 Ca 0.01 -0.59 -0.17 0.00 -0.26 0.00 0.00 58.87 57.86 3ddf n SER 719 Cb 0.45 0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 64.69 3ddf n SER 719 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ddf s HIS 720 N -2.89 0.89 0.00 7.33 3.76 -1.26 -5.10 115.29 118.02 3ddf s HIS 720 Ca 0.13 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3ddf s HIS 720 Cb 0.17 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.33 3ddf s HIS 720 CO 0.70 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.99 3ddf n GLY 721 N 2.00 -1.28 3.75 -2.22 0.00 -1.26 -4.91 105.19 101.27 3ddf n GLY 721 Ca -0.18 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3ddf n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddf s ASP 722 N -4.00 7.51 -0.12 1.61 -0.00 -1.26 -4.99 116.67 115.41 3ddf s ASP 722 Ca 0.00 2.06 -0.07 0.00 -0.00 0.00 0.00 52.55 54.54 3ddf s ASP 722 Cb 0.00 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 3ddf s ASP 722 CO 0.00 0.04 0.13 -0.13 -0.00 0.00 0.00 175.17 175.22 3ddf s ARG 723 N -1.22 3.46 0.57 8.23 1.81 -1.26 -4.59 118.95 125.95 3ddf s ARG 723 Ca 0.43 -0.15 -0.21 0.00 -1.72 0.00 0.00 55.73 54.08 3ddf s ARG 723 Cb -0.28 -3.18 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 3ddf s ARG 723 CO 0.35 0.75 1.33 0.43 -0.68 0.00 0.00 175.30 177.48 3ddf n SER 724 N 2.06 2.49 0.00 0.23 7.64 -1.26 -4.58 113.62 120.20 3ddf n SER 724 Ca -0.20 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.62 3ddf n SER 724 Cb 0.55 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3ddf n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddf n GLY 725 N 0.81 4.01 0.28 0.23 0.00 -0.87 -4.50 105.19 105.16 3ddf n GLY 725 Ca 0.12 -0.94 0.04 0.00 0.00 0.00 0.00 46.02 45.24 3ddf n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddf h ALA 726 N 1.59 1.70 0.00 4.61 0.00 -1.85 -3.20 119.26 122.10 3ddf h ALA 726 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3ddf h ALA 726 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ddf h ALA 726 CO 0.00 0.24 -1.18 0.66 0.00 0.00 0.00 179.25 178.97 3ddf n TYR 727 N -4.43 1.00 -3.57 0.00 4.02 -1.26 -2.83 117.16 110.08 3ddf n TYR 727 Ca 0.01 0.43 -0.38 0.00 -0.01 0.00 0.00 57.90 57.95 3ddf n TYR 727 Cb 0.12 -1.06 -0.06 0.00 -0.02 0.00 0.00 39.34 38.32 3ddf n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ddf s LEU 728 N -7.91 4.44 -0.32 7.72 1.43 -1.21 -0.95 118.68 121.88 3ddf s LEU 728 Ca -0.27 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 3ddf s LEU 728 Cb 0.06 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.82 3ddf s LEU 728 CO 0.54 0.31 0.09 0.12 0.23 0.00 0.00 176.35 177.65 3ddf s PHE 729 N -0.89 3.19 -0.51 0.29 5.99 -1.15 -2.05 117.98 122.87 3ddf s PHE 729 Ca 0.22 -1.17 0.07 0.00 0.00 0.00 0.00 56.93 56.04 3ddf s PHE 729 Cb -0.15 -2.27 0.24 0.00 0.00 0.00 0.00 43.02 40.84 3ddf s PHE 729 CO 0.11 -0.65 0.59 1.28 -0.00 0.00 0.00 175.22 176.55 3ddf n LEU 730 N 4.85 1.68 -4.76 6.12 4.77 -1.26 -4.67 117.00 123.72 3ddf n LEU 730 Ca -0.14 -4.99 -0.32 0.00 -0.03 0.00 0.00 56.01 50.53 3ddf n LEU 730 Cb 0.46 0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 3ddf n LEU 730 CO 0.32 2.03 0.72 -2.16 -1.33 0.00 0.00 177.39 176.97 3ddf s PRO 731 N -1.61 2.40 -1.05 3.23 0.04 -1.26 -4.02 135.00 132.73 3ddf s PRO 731 Ca 0.36 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 3ddf s PRO 731 Cb 0.14 -1.91 0.17 0.00 0.04 0.00 0.00 34.50 32.95 3ddf s PRO 731 CO -0.08 -1.55 2.30 0.27 0.04 0.00 0.00 177.00 177.98 3ddf n ASN 732 N -3.06 7.55 0.00 6.66 6.94 -1.20 -4.78 115.26 127.36 3ddf n ASN 732 Ca 0.10 -3.34 0.00 0.00 -0.02 0.00 0.00 54.58 51.32 3ddf n ASN 732 Cb 0.52 -1.27 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 3ddf n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ddf n GLY 733 N 0.96 0.18 3.58 4.83 0.00 -1.26 -4.85 105.19 108.62 3ddf n GLY 733 Ca 0.56 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 3ddf n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ddf n PRO 734 N 0.12 0.01 -1.96 1.61 -0.02 -1.26 -4.82 135.00 128.67 3ddf n PRO 734 Ca 0.00 0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 3ddf n PRO 734 Cb 0.00 -2.18 0.03 0.00 -0.02 0.00 0.00 33.50 31.34 3ddf n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddf s ALA 735 N -2.21 2.52 -0.06 3.55 0.00 -1.26 -4.93 121.76 119.36 3ddf s ALA 735 Ca 0.67 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3ddf s ALA 735 Cb -0.28 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3ddf s ALA 735 CO 0.57 -1.15 -0.06 -1.12 0.00 0.00 0.00 175.76 173.99 3ddf s SER 736 N -1.93 4.69 0.44 0.00 0.01 -0.11 -4.84 113.70 111.96 3ddf s SER 736 Ca 0.73 -0.02 -0.25 0.00 1.31 0.00 0.00 55.95 57.72 3ddf s SER 736 Cb -0.26 -1.18 -0.08 0.00 0.21 0.00 0.00 66.02 64.71 3ddf s SER 736 CO 0.34 0.36 1.41 -2.84 0.41 0.00 0.00 173.24 172.92 3ddf s PRO 737 N -0.88 3.74 0.21 12.44 0.02 -1.26 -0.39 135.00 148.88 3ddf s PRO 737 Ca 0.13 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 3ddf s PRO 737 Cb -0.11 -2.68 -0.10 0.00 0.02 0.00 0.00 34.50 31.64 3ddf s PRO 737 CO 0.02 -0.76 1.43 0.08 -0.33 0.00 0.00 177.00 177.44 3ddf s VAL 738 N -1.21 2.82 -0.53 3.83 1.01 -0.59 -4.76 120.40 120.97 3ddf s VAL 738 Ca 0.60 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 3ddf s VAL 738 Cb -0.43 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3ddf s VAL 738 CO 0.55 0.09 1.18 -1.61 0.00 0.00 0.00 175.10 175.31 3ddf s GLU 739 N 0.04 3.62 0.15 2.72 2.02 -1.26 -4.91 118.70 121.08 3ddf s GLU 739 Ca 0.61 0.43 0.25 0.00 0.02 0.00 0.00 54.97 56.28 3ddf s GLU 739 Cb -0.41 -3.96 0.53 0.00 0.10 0.00 0.00 34.13 30.39 3ddf s GLU 739 CO 0.39 -1.54 1.50 1.28 0.02 0.00 0.00 175.26 176.92 3ddf n LEU 740 N 8.19 0.74 0.00 1.80 4.77 -1.26 -4.85 117.00 126.39 3ddf n LEU 740 Ca 0.11 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3ddf n LEU 740 Cb 0.49 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3ddf n LEU 740 CO 0.72 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3ddf n GLY 741 N 1.33 3.07 2.73 -0.72 0.00 -1.26 -3.84 105.19 106.49 3ddf n GLY 741 Ca 0.04 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 3ddf n GLY 741 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ddf n GLN 742 N 14.00 1.91 -1.65 1.61 6.02 -1.26 -5.08 117.38 132.92 3ddf n GLN 742 Ca 0.00 -4.44 -0.32 0.00 -0.01 0.00 0.00 57.00 52.22 3ddf n GLN 742 Cb 0.00 -2.22 0.05 0.00 1.02 0.00 0.00 30.24 29.09 3ddf n GLN 742 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ddf s PRO 743 N -1.66 2.72 -0.05 -1.09 0.04 -1.25 -4.95 135.00 128.77 3ddf s PRO 743 Ca 0.30 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 3ddf s PRO 743 Cb 0.02 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3ddf s PRO 743 CO -0.13 -1.30 0.80 0.08 0.04 0.00 0.00 177.00 176.49 3ddf s VAL 744 N -2.53 4.98 -0.11 -0.36 1.01 -1.26 -4.84 120.40 117.29 3ddf s VAL 744 Ca 0.65 1.65 0.02 0.00 0.00 0.00 0.00 61.98 64.30 3ddf s VAL 744 Cb -0.19 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3ddf s VAL 744 CO 0.45 0.20 -0.19 -0.69 0.00 0.00 0.00 175.10 174.88 3ddf s VAL 745 N 0.98 2.53 -0.19 2.92 1.01 -0.75 -2.45 120.40 124.44 3ddf s VAL 745 Ca 0.42 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3ddf s VAL 745 Cb -0.19 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 3ddf s VAL 745 CO 0.21 0.54 -0.10 -0.22 0.00 0.00 0.00 175.10 175.53 3ddf s LEU 746 N 0.30 2.67 -0.21 3.92 2.96 0.42 -0.24 118.68 128.50 3ddf s LEU 746 Ca -0.14 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3ddf s LEU 746 Cb -0.17 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3ddf s LEU 746 CO 0.07 0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.40 3ddf s VAL 747 N 1.18 3.48 -0.16 1.68 1.01 0.42 -0.97 120.40 127.05 3ddf s VAL 747 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3ddf s VAL 747 Cb -0.14 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3ddf s VAL 747 CO -0.03 0.43 -0.13 -0.89 0.00 0.00 0.00 175.10 174.48 3ddf s THR 748 N 1.32 2.91 -0.20 3.92 2.01 -0.13 -0.54 115.64 124.94 3ddf s THR 748 Ca 0.04 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.37 3ddf s THR 748 Cb -0.14 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.16 3ddf s THR 748 CO -0.01 0.50 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.53 3ddf s LYS 749 N 0.77 2.41 0.23 4.92 2.20 -0.30 -0.49 119.74 129.48 3ddf s LYS 749 Ca -0.05 -0.91 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 3ddf s LYS 749 Cb -0.15 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 3ddf s LYS 749 CO 0.01 -0.37 0.05 0.20 -0.36 0.00 0.00 175.35 174.88 3ddf s GLY 750 N 1.31 1.57 0.20 5.54 0.00 -0.98 -0.97 107.32 114.00 3ddf s GLY 750 Ca -0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.91 3ddf s GLY 750 CO -0.09 -1.60 1.55 1.70 0.00 0.00 0.00 173.10 174.66 3ddf h LYS 751 N 2.48 0.62 0.01 2.90 3.64 -1.96 -3.32 116.57 120.93 3ddf h LYS 751 Ca -0.38 -0.34 -0.36 0.00 -1.27 0.00 0.00 60.65 58.31 3ddf h LYS 751 Cb 1.23 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 3ddf h LYS 751 CO 0.62 0.94 -2.25 1.28 -2.27 0.00 0.00 179.45 177.77 3ddf n LEU 752 N -4.01 1.00 -3.72 5.20 4.77 -1.26 -4.50 117.00 114.47 3ddf n LEU 752 Ca -0.02 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3ddf n LEU 752 Cb 0.55 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 3ddf n LEU 752 CO 0.46 0.60 -0.02 -0.70 -1.33 0.00 0.00 177.39 176.40 3ddf s GLU 753 N -2.52 0.33 0.21 3.23 2.12 -1.25 -4.49 118.70 116.32 3ddf s GLU 753 Ca -0.15 0.61 0.07 0.00 0.36 0.00 0.00 54.97 55.86 3ddf s GLU 753 Cb 0.07 -0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 3ddf s GLU 753 CO 0.78 -0.13 -0.11 -1.12 -0.54 0.00 0.00 175.26 174.13 3ddf s SER 754 N 1.04 2.39 -0.09 -1.70 0.01 -0.44 -2.31 113.70 112.61 3ddf s SER 754 Ca -0.07 -1.06 -0.16 0.00 1.31 0.00 0.00 55.95 55.98 3ddf s SER 754 Cb -0.08 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.08 3ddf s SER 754 CO -0.08 -0.25 0.38 -0.55 0.41 0.00 0.00 173.24 173.15 3ddf s SER 755 N -3.30 -0.34 -0.15 2.44 0.15 0.36 -0.56 113.70 112.29 3ddf s SER 755 Ca 0.23 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.39 3ddf s SER 755 Cb 0.01 0.59 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 3ddf s SER 755 CO 0.06 -0.30 -0.18 -0.69 1.20 0.00 0.00 173.24 173.33 3ddf s VAL 756 N -0.53 1.82 -0.00 4.45 1.01 -0.38 -0.95 120.40 125.82 3ddf s VAL 756 Ca -0.06 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3ddf s VAL 756 Cb -0.04 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3ddf s VAL 756 CO 0.03 0.50 -0.20 -0.44 0.00 0.00 0.00 175.10 174.99 3ddf s SER 757 N 1.16 2.40 -0.01 3.32 0.01 -0.14 -0.89 113.70 119.55 3ddf s SER 757 Ca -0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3ddf s SER 757 Cb -0.14 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.85 3ddf s SER 757 CO -0.07 0.23 0.01 0.54 0.41 0.00 0.00 173.24 174.36 3ddf s VAL 758 N -0.54 0.01 -0.91 3.43 0.11 -0.04 -0.44 120.40 122.03 3ddf s VAL 758 Ca 0.08 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 3ddf s VAL 758 Cb -0.08 -0.08 0.11 0.00 -1.53 0.00 0.00 36.38 34.81 3ddf s VAL 758 CO -0.00 0.05 1.14 -0.83 -3.33 0.00 0.00 175.10 172.13 3ddf s GLY 759 N 0.51 1.78 0.43 6.54 0.00 -1.03 -1.44 107.32 114.12 3ddf s GLY 759 Ca -0.04 -2.59 0.01 0.00 0.00 0.00 0.00 44.72 42.09 3ddf s GLY 759 CO -0.01 2.09 0.65 1.08 0.00 0.00 0.00 173.10 176.91 3ddf s LEU 760 N 3.12 3.71 0.06 0.66 1.43 0.03 -4.42 118.68 123.27 3ddf s LEU 760 Ca 0.33 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3ddf s LEU 760 Cb -0.06 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 3ddf s LEU 760 CO -0.07 -0.64 1.78 -2.84 0.23 0.00 0.00 176.35 174.81 3ddf s PRO 761 N -4.51 4.16 0.00 1.29 0.02 -1.26 -2.08 135.00 132.62 3ddf s PRO 761 Ca 0.47 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.95 3ddf s PRO 761 Cb -0.10 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.62 3ddf s PRO 761 CO 0.37 -0.84 0.00 0.43 -0.33 0.00 0.00 177.00 176.64 3ddf n SER 762 N 6.34 0.00 -3.68 2.53 7.64 -1.26 -4.97 113.62 120.22 3ddf n SER 762 Ca 0.18 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 3ddf n SER 762 Cb 0.40 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.88 3ddf n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ddf s VAL 763 N -2.84 -0.30 -0.42 0.44 1.01 -0.88 -0.49 120.40 116.92 3ddf s VAL 763 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 3ddf s VAL 763 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.98 3ddf s VAL 763 CO 0.00 0.10 0.68 -0.69 0.00 0.00 0.00 175.10 175.19 3ddf s VAL 764 N 2.09 4.80 -0.19 2.92 1.01 -0.35 -0.79 120.40 129.90 3ddf s VAL 764 Ca -0.02 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3ddf s VAL 764 Cb -0.12 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3ddf s VAL 764 CO -0.08 -0.54 0.06 -2.28 0.00 0.00 0.00 175.10 172.26 3ddf s HIS 765 N 2.90 3.24 -0.03 5.22 5.04 -0.52 -0.75 115.29 130.39 3ddf s HIS 765 Ca 0.25 0.04 0.02 0.00 -1.54 0.00 0.00 55.06 53.83 3ddf s HIS 765 Cb -0.14 -2.09 0.01 0.00 0.04 0.00 0.00 32.58 30.40 3ddf s HIS 765 CO 0.19 0.12 -0.07 -1.14 -2.34 0.00 0.00 174.74 171.50 3ddf s GLN 766 N 0.46 0.82 -0.22 2.88 0.74 0.15 -0.86 119.66 123.63 3ddf s GLN 766 Ca 0.03 -0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 3ddf s GLN 766 Cb -0.13 -0.78 0.00 0.00 1.10 0.00 0.00 33.01 33.20 3ddf s GLN 766 CO 0.01 0.05 -0.07 0.99 -0.55 0.00 0.00 175.29 175.72 3ddf s THR 767 N 0.36 3.09 -0.09 -0.34 2.01 -0.07 -1.10 115.64 119.50 3ddf s THR 767 Ca -0.05 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3ddf s THR 767 Cb -0.09 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 3ddf s THR 767 CO 0.00 0.42 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.52 3ddf s ILE 768 N 1.43 2.44 -0.14 1.82 1.01 0.71 -1.24 121.20 127.23 3ddf s ILE 768 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3ddf s ILE 768 Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3ddf s ILE 768 CO -0.05 0.56 -0.21 -0.04 0.00 0.00 0.00 174.94 175.20 3ddf s MET 769 N 0.09 2.86 0.00 2.79 -1.94 0.28 -0.76 119.30 122.62 3ddf s MET 769 Ca -0.09 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 3ddf s MET 769 Cb -0.15 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.35 3ddf s MET 769 CO 0.06 -0.03 0.89 0.54 -0.01 0.00 0.00 175.02 176.46 3ddf n ARG 770 N 4.13 2.35 0.00 2.03 1.74 -1.26 -1.32 116.66 124.32 3ddf n ARG 770 Ca -0.20 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.60 3ddf n ARG 770 Cb 0.51 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 3ddf n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ddf n GLY 771 N -0.39 1.48 0.00 -0.13 0.00 -1.26 -4.88 105.19 100.01 3ddf n GLY 771 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ddf n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddf n GLY 772 N -0.29 5.23 3.72 -0.02 0.00 -1.26 -3.63 105.19 108.94 3ddf n GLY 772 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3ddf n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddf n ALA 773 N -3.00 1.80 -1.30 4.61 0.00 -1.26 -4.57 120.51 116.78 3ddf n ALA 773 Ca 0.00 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 3ddf n ALA 773 Cb 0.00 -2.34 0.09 0.00 0.00 0.00 0.00 19.45 17.19 3ddf n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ddf s PRO 774 N -1.40 2.24 -0.14 0.00 0.04 -1.24 -4.79 135.00 129.72 3ddf s PRO 774 Ca 0.59 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3ddf s PRO 774 Cb -0.54 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3ddf s PRO 774 CO 0.58 -1.70 0.16 -2.00 0.04 0.00 0.00 177.00 174.08 3ddf s GLU 775 N -4.28 3.70 -0.12 4.56 2.12 0.06 -1.79 118.70 122.94 3ddf s GLU 775 Ca 0.68 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.89 3ddf s GLU 775 Cb -0.23 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 3ddf s GLU 775 CO 0.48 0.63 -0.12 0.42 -0.54 0.00 0.00 175.26 176.12 3ddf s ILE 776 N -0.60 3.14 -0.07 -3.70 -1.09 -0.30 -0.21 121.20 118.38 3ddf s ILE 776 Ca 0.14 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3ddf s ILE 776 Cb -0.12 -2.31 0.01 0.00 -1.58 0.00 0.00 42.46 38.46 3ddf s ILE 776 CO 0.03 0.53 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.99 3ddf s ARG 777 N 0.15 2.04 -0.20 2.79 0.52 -0.26 -0.81 118.95 123.18 3ddf s ARG 777 Ca -0.06 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3ddf s ARG 777 Cb -0.15 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.70 3ddf s ARG 777 CO 0.05 0.09 -0.14 -0.80 0.02 0.00 0.00 175.30 174.52 3ddf s ASN 778 N 0.51 3.65 -0.55 0.23 0.01 -0.17 -0.67 114.94 117.95 3ddf s ASN 778 Ca -0.14 -0.63 -0.21 0.00 -0.71 0.00 0.00 52.86 51.16 3ddf s ASN 778 Cb -0.16 -1.58 0.06 0.00 0.41 0.00 0.00 41.25 39.98 3ddf s ASN 778 CO 0.05 -0.03 0.78 -0.22 -1.51 0.00 0.00 177.10 176.17 3ddf s LEU 779 N 1.34 4.65 -0.29 0.60 2.96 0.07 -1.07 118.68 126.94 3ddf s LEU 779 Ca 0.04 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.06 3ddf s LEU 779 Cb -0.14 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 3ddf s LEU 779 CO -0.09 -1.09 0.17 -0.69 -1.32 0.00 0.00 176.35 173.33 3ddf s VAL 780 N 3.24 4.98 -0.38 1.68 1.01 0.29 -1.21 120.40 130.01 3ddf s VAL 780 Ca 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3ddf s VAL 780 Cb -0.17 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.89 3ddf s VAL 780 CO 0.13 0.17 0.19 -0.62 0.00 0.00 0.00 175.10 174.97 3ddf s ASP 781 N 1.70 3.63 0.00 3.32 3.68 0.36 -2.09 116.67 127.27 3ddf s ASP 781 Ca 0.06 -2.20 0.24 0.00 2.13 0.00 0.00 52.55 52.78 3ddf s ASP 781 Cb -0.16 -0.84 1.23 0.00 -1.45 0.00 0.00 42.92 41.70 3ddf s ASP 781 CO 0.09 -0.33 1.81 0.00 0.13 0.00 0.00 175.17 176.87 3ddf n ILE 782 N 4.09 0.22 -2.13 4.11 3.06 -1.26 -4.37 119.36 123.08 3ddf n ILE 782 Ca 0.06 0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 3ddf n ILE 782 Cb 0.37 -0.65 0.00 0.00 0.54 0.00 0.00 39.64 39.90 3ddf n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3ddf n GLY 783 N 0.78 3.04 1.61 4.50 0.00 -1.26 -1.65 105.19 112.22 3ddf n GLY 783 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3ddf n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ddf n SER 784 N 3.51 4.53 -4.56 1.61 3.41 -1.26 -4.91 113.62 115.95 3ddf n SER 784 Ca 0.00 -3.18 -0.28 0.00 -0.26 0.00 0.00 58.87 55.15 3ddf n SER 784 Cb 0.00 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 3ddf n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ddf s LEU 785 N -2.94 3.20 0.56 1.04 1.43 -0.66 -4.96 118.68 116.36 3ddf s LEU 785 Ca 0.51 -0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 3ddf s LEU 785 Cb 0.41 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3ddf s LEU 785 CO 0.11 -2.62 1.09 -1.81 0.23 0.00 0.00 176.35 173.36 3ddf s ASP 786 N 7.57 5.75 -1.37 2.29 1.11 -1.26 -3.58 116.67 127.18 3ddf s ASP 786 Ca 0.67 2.02 -0.03 0.00 0.18 0.00 0.00 52.55 55.40 3ddf s ASP 786 Cb -0.05 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.39 3ddf s ASP 786 CO -0.01 -1.20 0.69 0.59 1.18 0.00 0.00 175.17 176.42 3ddf n ASN 787 N -1.58 -1.59 -3.93 0.27 3.02 -0.09 -4.97 115.26 106.39 3ddf n ASN 787 Ca 0.10 -0.86 -0.16 0.00 -0.03 0.00 0.00 54.58 53.64 3ddf n ASN 787 Cb 0.52 -3.79 -0.15 0.00 -0.61 0.00 0.00 39.78 35.75 3ddf n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ddf s THR 788 N -3.67 0.36 -0.12 3.41 2.01 -0.57 -3.97 115.64 113.09 3ddf s THR 788 Ca 0.12 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.00 3ddf s THR 788 Cb -0.06 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.12 3ddf s THR 788 CO 0.83 0.12 -0.22 -1.61 -0.69 0.00 0.00 174.62 173.06 3ddf s GLU 789 N 0.14 2.92 -0.24 4.92 2.02 -0.30 -1.23 118.70 126.92 3ddf s GLU 789 Ca -0.01 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 3ddf s GLU 789 Cb -0.05 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 3ddf s GLU 789 CO -0.00 0.04 0.20 0.42 0.02 0.00 0.00 175.26 175.94 3ddf s ILE 790 N 0.69 5.32 0.01 -1.63 -1.09 -0.45 -0.75 121.20 123.30 3ddf s ILE 790 Ca -0.11 0.26 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 3ddf s ILE 790 Cb -0.16 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 3ddf s ILE 790 CO 0.01 0.31 -0.17 0.54 -1.23 0.00 0.00 174.94 174.40 3ddf s VAL 791 N 1.26 2.81 -0.26 2.92 0.11 -0.12 -0.29 120.40 126.83 3ddf s VAL 791 Ca 0.09 -1.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.02 3ddf s VAL 791 Cb -0.14 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 3ddf s VAL 791 CO 0.06 0.44 0.15 -0.32 -3.33 0.00 0.00 175.10 172.10 3ddf s MET 792 N -1.13 3.89 0.05 1.54 1.75 -0.50 -1.44 119.30 123.45 3ddf s MET 792 Ca 0.13 -0.35 0.08 0.00 -1.25 0.00 0.00 55.69 54.30 3ddf s MET 792 Cb -0.10 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 34.00 3ddf s MET 792 CO 0.03 -0.13 -0.21 0.50 -0.65 0.00 0.00 175.02 174.57 3ddf s ARG 793 N 1.56 1.95 -0.17 4.11 3.52 0.48 -1.11 118.95 129.29 3ddf s ARG 793 Ca 0.07 -1.04 -0.04 0.00 -0.13 0.00 0.00 55.73 54.59 3ddf s ARG 793 Cb -0.15 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.10 3ddf s ARG 793 CO 0.08 0.53 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.55 3ddf s LEU 794 N -1.44 3.18 -0.17 -0.88 1.43 0.50 -0.97 118.68 120.33 3ddf s LEU 794 Ca 0.14 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3ddf s LEU 794 Cb -0.10 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3ddf s LEU 794 CO 0.05 0.13 -0.11 -1.61 0.23 0.00 0.00 176.35 175.04 3ddf s GLU 795 N 0.58 3.32 0.35 1.70 2.02 0.03 -1.83 118.70 124.87 3ddf s GLU 795 Ca -0.03 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.31 3ddf s GLU 795 Cb -0.14 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 3ddf s GLU 795 CO 0.03 0.00 0.14 0.95 0.02 0.00 0.00 175.26 176.39 3ddf s THR 796 N 0.90 0.55 -0.93 3.63 -4.23 -0.28 -1.10 115.64 114.18 3ddf s THR 796 Ca -0.03 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.64 3ddf s THR 796 Cb -0.15 -2.49 0.55 0.00 1.34 0.00 0.00 72.50 71.75 3ddf s THR 796 CO -0.00 0.00 1.47 1.41 -0.54 0.00 0.00 174.62 176.95 3ddf n HIS 797 N -0.72 1.02 -1.69 3.99 8.25 -1.26 -4.54 115.22 120.27 3ddf n HIS 797 Ca -0.02 -0.62 -0.44 0.00 -0.26 0.00 0.00 57.72 56.38 3ddf n HIS 797 Cb 0.65 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 3ddf n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ddf n ILE 798 N 0.64 0.08 -1.89 1.59 5.41 -1.26 -4.87 119.36 119.05 3ddf n ILE 798 Ca 0.20 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.53 3ddf n ILE 798 Cb 0.73 -1.80 -0.01 0.00 -0.71 0.00 0.00 39.64 37.85 3ddf n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3ddf n ASP 799 N 4.09 6.40 0.08 4.38 4.64 -1.26 -2.65 116.55 132.23 3ddf n ASP 799 Ca 0.17 -2.94 0.13 0.00 -1.38 0.00 0.00 54.79 50.76 3ddf n ASP 799 Cb 0.32 -1.50 0.31 0.00 -1.04 0.00 0.00 41.12 39.21 3ddf n ASP 799 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3ddf n SER 800 N 3.72 0.73 0.00 1.67 3.41 -1.26 -4.57 113.62 117.32 3ddf n SER 800 Ca 0.57 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 3ddf n SER 800 Cb 0.31 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3ddf n SER 800 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ddf n GLY 801 N 1.33 2.79 0.64 5.00 0.00 -1.26 -2.02 105.19 111.67 3ddf n GLY 801 Ca 0.05 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3ddf n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddf n ASP 802 N 10.05 3.03 -4.72 1.61 3.85 -1.26 -3.19 116.55 125.92 3ddf n ASP 802 Ca 0.00 -2.17 -0.35 0.00 -0.71 0.00 0.00 54.79 51.56 3ddf n ASP 802 Cb 0.00 -0.27 -0.09 0.00 -1.35 0.00 0.00 41.12 39.41 3ddf n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3ddf s ILE 803 N -1.31 4.56 0.26 2.12 -1.09 -0.86 -0.11 121.20 124.77 3ddf s ILE 803 Ca 0.25 -0.15 -0.13 0.00 -2.23 0.00 0.00 60.65 58.39 3ddf s ILE 803 Cb 0.15 -2.94 -0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3ddf s ILE 803 CO 0.14 0.60 0.50 0.72 -1.23 0.00 0.00 174.94 175.67 3ddf s PHE 804 N -0.86 0.37 -0.02 3.97 -0.12 -0.78 -4.73 117.98 115.82 3ddf s PHE 804 Ca 0.13 -0.74 0.04 0.00 -0.05 0.00 0.00 56.93 56.31 3ddf s PHE 804 Cb -0.12 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 3ddf s PHE 804 CO 0.03 -1.03 -0.12 0.71 -0.05 0.00 0.00 175.22 174.75 3ddf s TYR 805 N -3.92 1.17 0.11 3.49 1.51 -0.13 -0.09 117.35 119.50 3ddf s TYR 805 Ca 0.22 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 3ddf s TYR 805 Cb -0.01 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 3ddf s TYR 805 CO 0.10 -0.06 -0.08 0.95 -1.11 0.00 0.00 175.55 175.35 3ddf s THR 806 N -0.15 0.88 0.40 -0.71 -4.23 -0.99 -1.09 115.64 109.76 3ddf s THR 806 Ca 0.02 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3ddf s THR 806 Cb -0.07 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.07 3ddf s THR 806 CO 0.00 -0.79 0.61 1.51 -0.54 0.00 0.00 174.62 175.41 3ddf s ASP 807 N -3.00 6.00 -0.27 3.99 3.84 -0.91 -0.90 116.67 125.41 3ddf s ASP 807 Ca 0.12 0.29 -0.01 0.00 -0.00 0.00 0.00 52.55 52.95 3ddf s ASP 807 Cb 0.03 -1.66 0.04 0.00 -1.38 0.00 0.00 42.92 39.95 3ddf s ASP 807 CO -0.02 -0.54 -0.05 -0.76 -0.00 0.00 0.00 175.17 173.79 3ddf s LEU 808 N -4.43 3.46 -1.55 2.11 1.43 0.42 -4.37 118.68 115.75 3ddf s LEU 808 Ca 0.45 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3ddf s LEU 808 Cb -0.10 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3ddf s LEU 808 CO 0.36 -0.18 0.00 0.59 0.23 0.00 0.00 176.35 177.35 3ddf n ASN 809 N 4.60 -5.11 0.00 2.29 4.13 -1.26 -1.00 115.26 118.91 3ddf n ASN 809 Ca -0.15 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.21 3ddf n ASN 809 Cb 0.45 -4.31 0.00 0.00 -1.54 0.00 0.00 39.78 34.38 3ddf n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ddf n GLY 810 N -0.88 0.24 0.08 7.41 0.00 -1.26 -0.48 105.19 110.30 3ddf n GLY 810 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3ddf n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ddf n LEU 811 N 0.00 2.13 -3.59 0.99 7.94 -0.17 -4.91 117.00 119.40 3ddf n LEU 811 Ca 0.00 -0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.70 3ddf n LEU 811 Cb 0.26 -0.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.84 3ddf n LEU 811 CO 0.00 0.65 0.25 0.00 -1.11 0.00 0.00 177.39 177.18 3ddf s GLN 812 N -2.32 1.03 -0.16 1.96 -2.07 -1.20 -5.01 119.66 111.89 3ddf s GLN 812 Ca -0.18 -0.30 -0.04 0.00 -1.82 0.00 0.00 55.36 53.02 3ddf s GLN 812 Cb 0.05 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.41 3ddf s GLN 812 CO 0.42 -0.37 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.94 3ddf s PHE 813 N -2.59 3.06 -0.06 9.60 0.40 -1.26 -0.43 117.98 126.70 3ddf s PHE 813 Ca -0.04 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 3ddf s PHE 813 Cb -0.01 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 3ddf s PHE 813 CO -0.03 0.01 -0.14 -1.50 0.70 0.00 0.00 175.22 174.26 3ddf s ILE 814 N 0.31 3.05 0.12 0.64 2.07 -0.08 -2.15 121.20 125.16 3ddf s ILE 814 Ca -0.03 -0.72 -0.31 0.00 -1.41 0.00 0.00 60.65 58.19 3ddf s ILE 814 Cb -0.14 -2.20 -0.07 0.00 0.13 0.00 0.00 42.46 40.18 3ddf s ILE 814 CO 0.02 0.58 1.29 -0.75 -1.91 0.00 0.00 174.94 174.18 3ddf s LYS 815 N -0.60 4.39 0.05 3.50 2.20 -0.34 -2.34 119.74 126.60 3ddf s LYS 815 Ca 0.09 1.95 0.05 0.00 -0.36 0.00 0.00 55.97 57.70 3ddf s LYS 815 Cb -0.11 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3ddf s LYS 815 CO 0.01 -0.30 -0.09 1.03 -0.36 0.00 0.00 175.35 175.64 3ddf s ARG 816 N 0.71 2.32 -0.12 4.03 1.81 0.87 -4.96 118.95 123.61 3ddf s ARG 816 Ca 0.60 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 3ddf s ARG 816 Cb -0.34 -2.38 0.02 0.00 -0.45 0.00 0.00 34.95 31.80 3ddf s ARG 816 CO 0.32 0.55 -0.11 0.50 -0.68 0.00 0.00 175.30 175.89 3ddf s ARG 817 N -1.76 1.86 0.21 3.54 3.52 -1.26 -1.86 118.95 123.20 3ddf s ARG 817 Ca 0.19 -0.39 -0.32 0.00 -0.13 0.00 0.00 55.73 55.08 3ddf s ARG 817 Cb -0.11 -1.79 -0.11 0.00 -1.56 0.00 0.00 34.95 31.37 3ddf s ARG 817 CO 0.10 -0.23 1.66 0.50 -0.81 0.00 0.00 175.30 176.52 3ddf s ARG 818 N 1.54 4.15 -0.25 5.12 3.52 0.84 -4.99 118.95 128.89 3ddf s ARG 818 Ca 0.04 2.54 0.02 0.00 -0.13 0.00 0.00 55.73 58.20 3ddf s ARG 818 Cb -0.13 -3.09 0.06 0.00 -1.56 0.00 0.00 34.95 30.23 3ddf s ARG 818 CO -0.08 -0.69 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.10 3ddf s LEU 819 N 0.89 3.11 0.22 -0.88 1.43 -1.26 -4.92 118.68 117.27 3ddf s LEU 819 Ca 0.72 -1.28 0.22 0.00 -1.03 0.00 0.00 54.13 52.75 3ddf s LEU 819 Cb -0.48 -1.44 0.93 0.00 0.03 0.00 0.00 46.19 45.23 3ddf s LEU 819 CO 0.34 -0.19 1.66 0.47 0.23 0.00 0.00 176.35 178.87 3ddf n ASP 820 N 4.51 0.56 0.01 2.29 8.00 -1.26 -1.87 116.55 128.79 3ddf n ASP 820 Ca -0.14 0.65 0.11 0.00 0.71 0.00 0.00 54.79 56.12 3ddf n ASP 820 Cb 0.43 -0.76 0.48 0.00 -0.02 0.00 0.00 41.12 41.25 3ddf n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3ddf n LYS 821 N -2.12 0.02 -4.18 -1.24 2.85 -1.26 -4.73 118.16 107.49 3ddf n LYS 821 Ca 0.02 0.13 -0.27 0.00 -1.05 0.00 0.00 58.31 57.14 3ddf n LYS 821 Cb 0.20 -1.53 -0.07 0.00 -0.65 0.00 0.00 35.03 32.98 3ddf n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3ddf s LEU 822 N -3.13 3.40 0.86 -5.58 1.43 -0.78 -5.06 118.68 109.82 3ddf s LEU 822 Ca 0.11 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3ddf s LEU 822 Cb 0.14 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.42 3ddf s LEU 822 CO 0.42 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 176.02 3ddf s PRO 823 N -2.90 1.52 0.23 1.29 0.04 -1.26 -4.89 135.00 129.03 3ddf s PRO 823 Ca 0.28 0.91 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 3ddf s PRO 823 Cb -0.10 -1.83 0.34 0.00 0.04 0.00 0.00 34.50 32.95 3ddf s PRO 823 CO 0.19 -2.08 1.64 1.25 0.04 0.00 0.00 177.00 178.04 3ddf h LEU 824 N -1.44 -0.42 -2.01 -3.56 6.46 -1.96 -0.47 115.31 111.92 3ddf h LEU 824 Ca -0.48 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.46 3ddf h LEU 824 Cb 1.27 0.35 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 3ddf h LEU 824 CO 0.54 -0.18 -0.03 0.06 -0.62 0.00 0.00 178.44 178.21 3ddf h GLN 825 N 0.07 0.00 0.00 1.25 -0.00 -1.92 -0.91 115.11 113.61 3ddf h GLN 825 Ca 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.97 3ddf h GLN 825 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.07 3ddf h GLN 825 CO -0.63 0.03 -0.15 0.00 -0.00 0.00 0.00 178.83 178.08 3ddf h ALA 826 N 1.97 0.95 -0.01 0.06 0.00 -1.42 -3.07 119.26 117.73 3ddf h ALA 826 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ddf h ALA 826 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ddf h ALA 826 CO 0.00 0.19 -0.00 0.09 0.00 0.00 0.00 179.25 179.53 3ddf n ASN 827 N -3.21 1.36 -4.76 0.00 3.02 -0.35 -4.59 115.26 106.73 3ddf n ASN 827 Ca 0.02 -1.45 -0.40 0.00 -0.03 0.00 0.00 54.58 52.72 3ddf n ASN 827 Cb 0.47 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 3ddf n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ddf s TYR 828 N -2.01 3.89 0.16 3.10 1.51 -1.16 -4.61 117.35 118.23 3ddf s TYR 828 Ca 0.39 1.70 0.04 0.00 -1.01 0.00 0.00 57.07 58.19 3ddf s TYR 828 Cb 0.21 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 3ddf s TYR 828 CO 0.34 0.43 -0.08 0.71 -1.11 0.00 0.00 175.55 175.84 3ddf s TYR 829 N -0.85 1.28 0.42 2.71 1.51 -0.32 -4.68 117.35 117.42 3ddf s TYR 829 Ca 0.39 -0.81 -0.25 0.00 -1.01 0.00 0.00 57.07 55.39 3ddf s TYR 829 Cb -0.23 -0.68 -0.08 0.00 -0.11 0.00 0.00 41.96 40.86 3ddf s TYR 829 CO 0.28 0.03 1.29 -2.14 -1.11 0.00 0.00 175.55 173.90 3ddf s PRO 830 N -3.78 3.89 -0.66 -1.71 0.02 -1.26 -1.56 135.00 129.94 3ddf s PRO 830 Ca 0.18 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.39 3ddf s PRO 830 Cb 0.03 -2.69 0.22 0.00 0.02 0.00 0.00 34.50 32.08 3ddf s PRO 830 CO 0.02 -0.54 0.65 -0.89 -0.33 0.00 0.00 177.00 175.90 3ddf n ILE 831 N -0.00 2.06 0.20 2.83 2.08 0.65 -4.53 119.36 122.64 3ddf n ILE 831 Ca 0.04 -5.08 0.05 0.00 0.56 0.00 0.00 62.75 58.33 3ddf n ILE 831 Cb 0.44 -2.13 0.40 0.00 -0.75 0.00 0.00 39.64 37.60 3ddf n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3ddf h PRO 832 N 4.64 0.00 0.00 0.38 0.13 -1.79 -2.73 132.00 132.64 3ddf h PRO 832 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3ddf h PRO 832 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3ddf h PRO 832 CO 0.79 0.34 0.00 -1.13 -0.23 0.00 0.00 178.00 177.77 3ddf n SER 833 N -3.75 0.00 -3.60 1.44 3.41 -1.26 -3.82 113.62 106.04 3ddf n SER 833 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ddf n SER 833 Cb 0.43 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3ddf n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ddf s GLY 834 N 0.00 -0.36 0.05 5.00 0.00 -1.26 -1.02 107.32 109.73 3ddf s GLY 834 Ca 0.00 1.31 -0.18 0.00 0.00 0.00 0.00 44.72 45.85 3ddf s GLY 834 CO 0.00 0.36 0.41 -3.16 0.00 0.00 0.00 173.10 170.71 3ddf s MET 835 N -2.15 0.93 0.11 2.90 0.23 -0.50 -2.15 119.30 118.68 3ddf s MET 835 Ca 0.13 -0.39 -0.17 0.00 -1.03 0.00 0.00 55.69 54.23 3ddf s MET 835 Cb 0.03 0.42 0.04 0.00 -1.53 0.00 0.00 34.83 33.79 3ddf s MET 835 CO -0.05 -0.32 0.42 -0.59 -2.03 0.00 0.00 175.02 172.45 3ddf s PHE 836 N -2.59 -0.25 0.14 3.16 -0.12 -0.25 -0.82 117.98 117.26 3ddf s PHE 836 Ca -0.05 0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.92 3ddf s PHE 836 Cb -0.01 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 3ddf s PHE 836 CO -0.03 -0.69 -0.18 0.96 -0.05 0.00 0.00 175.22 175.23 3ddf s ILE 837 N -3.50 1.68 0.14 -4.49 -4.36 -0.75 -0.95 121.20 108.97 3ddf s ILE 837 Ca 0.01 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 3ddf s ILE 837 Cb 0.01 -1.70 0.04 0.00 1.25 0.00 0.00 42.46 42.06 3ddf s ILE 837 CO -0.10 -0.28 0.45 -1.83 0.24 0.00 0.00 174.94 173.43 3ddf s GLU 838 N -2.55 1.15 0.00 0.37 -1.05 -1.26 -1.34 118.70 114.02 3ddf s GLU 838 Ca 0.12 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 3ddf s GLU 838 Cb -0.07 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3ddf s GLU 838 CO 0.05 -0.46 0.00 -0.40 0.95 0.00 0.00 175.26 175.40 3ddf n ASP 839 N -0.27 1.48 0.12 0.83 5.68 -0.43 -4.21 116.55 119.75 3ddf n ASP 839 Ca -0.15 -0.39 0.10 0.00 -0.50 0.00 0.00 54.79 53.84 3ddf n ASP 839 Cb 0.64 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.20 3ddf n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ddf h ALA 840 N 1.00 2.03 0.00 2.12 0.00 -1.98 -3.34 119.26 119.09 3ddf h ALA 840 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ddf h ALA 840 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ddf h ALA 840 CO 0.00 -0.07 -1.37 0.09 0.00 0.00 0.00 179.25 177.90 3ddf n ASN 841 N -4.49 3.61 -4.06 0.00 3.02 -1.26 -3.67 115.26 108.41 3ddf n ASN 841 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 3ddf n ASN 841 Cb 0.21 0.73 -0.14 0.00 -0.61 0.00 0.00 39.78 39.97 3ddf n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ddf s THR 842 N -2.18 0.81 0.02 3.41 2.01 -1.25 -0.90 115.64 117.56 3ddf s THR 842 Ca -0.03 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.38 3ddf s THR 842 Cb 0.02 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3ddf s THR 842 CO 0.23 0.08 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.50 3ddf s ARG 843 N -0.64 1.02 -0.16 4.92 3.52 -0.35 -1.32 118.95 125.94 3ddf s ARG 843 Ca 0.01 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 54.98 3ddf s ARG 843 Cb -0.05 -1.01 0.02 0.00 -1.56 0.00 0.00 34.95 32.34 3ddf s ARG 843 CO 0.00 0.26 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.40 3ddf s LEU 844 N -0.80 1.99 -0.10 -0.88 2.96 -0.45 -1.19 118.68 120.22 3ddf s LEU 844 Ca 0.03 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 3ddf s LEU 844 Cb -0.07 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3ddf s LEU 844 CO 0.01 0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.98 3ddf s THR 845 N 1.20 2.67 -0.28 3.68 2.01 -0.16 -1.81 115.64 122.95 3ddf s THR 845 Ca 0.01 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 3ddf s THR 845 Cb -0.14 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.32 3ddf s THR 845 CO -0.09 0.55 0.02 -0.22 -0.69 0.00 0.00 174.62 174.19 3ddf s LEU 846 N 0.13 3.59 -0.02 4.42 2.96 0.00 -0.85 118.68 128.91 3ddf s LEU 846 Ca -0.09 -0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 52.93 3ddf s LEU 846 Cb -0.15 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3ddf s LEU 846 CO 0.06 -0.17 0.28 -0.76 -1.32 0.00 0.00 176.35 174.43 3ddf s LEU 847 N 1.42 4.39 0.14 -0.68 2.01 -0.23 -1.42 118.68 124.31 3ddf s LEU 847 Ca 0.01 0.64 0.11 0.00 0.01 0.00 0.00 54.13 54.89 3ddf s LEU 847 Cb -0.17 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.45 3ddf s LEU 847 CO -0.01 0.30 -0.23 0.42 1.01 0.00 0.00 176.35 177.84 3ddf s THR 848 N -1.20 2.46 -1.75 5.49 -4.23 -0.19 -1.61 115.64 114.62 3ddf s THR 848 Ca 0.24 -1.75 0.19 0.00 -1.18 0.00 0.00 61.69 59.19 3ddf s THR 848 Cb -0.14 -2.13 0.61 0.00 1.34 0.00 0.00 72.50 72.19 3ddf s THR 848 CO 0.13 0.04 1.51 0.61 -0.54 0.00 0.00 174.62 176.37 3ddf n GLY 849 N 0.70 2.24 3.55 3.99 0.00 -0.28 -4.72 105.19 110.68 3ddf n GLY 849 Ca -0.16 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 3ddf n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ddf s GLN 850 N -1.33 0.91 0.14 1.61 0.00 -1.26 -4.74 119.66 114.98 3ddf s GLN 850 Ca 0.45 0.37 -0.30 0.00 -0.00 0.00 0.00 55.36 55.89 3ddf s GLN 850 Cb 0.25 0.43 -0.07 0.00 0.00 0.00 0.00 33.01 33.63 3ddf s GLN 850 CO 0.28 -0.25 1.08 -1.25 0.00 0.00 0.00 175.29 175.15 3ddf s PRO 851 N -0.85 4.59 0.17 9.60 0.04 -1.25 -4.72 135.00 142.58 3ddf s PRO 851 Ca -0.07 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 3ddf s PRO 851 Cb -0.01 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3ddf s PRO 851 CO 0.06 0.05 0.25 -0.51 0.04 0.00 0.00 177.00 176.89 3ddf s LEU 852 N -0.02 1.05 0.25 -3.56 1.43 -1.03 -4.78 118.68 112.01 3ddf s LEU 852 Ca 0.50 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 3ddf s LEU 852 Cb -0.28 1.03 -0.07 0.00 0.03 0.00 0.00 46.19 46.90 3ddf s LEU 852 CO 0.33 -0.89 0.59 -0.83 0.23 0.00 0.00 176.35 175.78 3ddf s GLY 853 N -3.00 2.25 0.22 -3.19 0.00 -0.99 -0.25 107.32 102.35 3ddf s GLY 853 Ca 0.21 -0.24 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 3ddf s GLY 853 CO 0.02 -0.09 0.97 -0.32 0.00 0.00 0.00 173.10 173.68 3ddf s GLY 854 N -2.43 0.09 0.30 0.20 0.00 -0.60 -0.51 107.32 104.37 3ddf s GLY 854 Ca 0.48 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.71 3ddf s GLY 854 CO 0.21 1.37 0.84 -1.26 0.00 0.00 0.00 173.10 174.27 3ddf n SER 855 N -1.09 -2.00 -3.81 1.64 2.88 -0.45 -1.18 113.62 109.61 3ddf n SER 855 Ca -0.05 -2.28 -0.30 0.00 -1.33 0.00 0.00 58.87 54.92 3ddf n SER 855 Cb 0.60 3.31 -0.15 0.00 -0.75 0.00 0.00 64.21 67.21 3ddf n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ddf s SER 856 N -3.11 4.19 0.00 -3.46 0.15 -1.26 -0.77 113.70 109.43 3ddf s SER 856 Ca 0.18 -1.74 0.27 0.00 0.70 0.00 0.00 55.95 55.36 3ddf s SER 856 Cb -0.04 -1.06 0.88 0.00 -1.71 0.00 0.00 66.02 64.09 3ddf s SER 856 CO 0.09 -0.40 1.65 0.18 1.20 0.00 0.00 173.24 175.96 3ddf n LEU 857 N 4.70 0.71 -3.60 3.45 4.77 -1.26 -4.82 117.00 120.95 3ddf n LEU 857 Ca -0.01 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 3ddf n LEU 857 Cb 0.42 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3ddf n LEU 857 CO 0.14 0.14 0.24 0.00 -1.33 0.00 0.00 177.39 176.58 3ddf s ALA 858 N -2.61 -1.23 0.17 -1.18 0.00 -1.26 -5.09 121.76 110.56 3ddf s ALA 858 Ca 0.23 0.52 -0.34 0.00 0.00 0.00 0.00 51.96 52.37 3ddf s ALA 858 Cb 0.19 0.36 -0.15 0.00 0.00 0.00 0.00 23.12 23.52 3ddf s ALA 858 CO 0.54 -0.48 1.35 0.45 0.00 0.00 0.00 175.76 177.62 3ddf n SER 859 N 0.47 2.13 0.00 0.00 2.88 -1.19 -1.57 113.62 116.34 3ddf n SER 859 Ca -0.18 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3ddf n SER 859 Cb 0.60 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 3ddf n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ddf n GLY 860 N 2.46 0.76 3.68 0.46 0.00 -1.08 -4.90 105.19 106.57 3ddf n GLY 860 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ddf n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ddf s GLU 861 N -0.08 2.47 0.03 1.61 2.02 -0.61 -1.13 118.70 123.01 3ddf s GLU 861 Ca 0.00 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 54.03 3ddf s GLU 861 Cb 0.00 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 3ddf s GLU 861 CO 0.00 0.49 -0.12 -0.51 0.02 0.00 0.00 175.26 175.14 3ddf s LEU 862 N -2.71 2.15 -0.01 1.80 1.43 -0.76 -4.50 118.68 116.08 3ddf s LEU 862 Ca 0.27 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3ddf s LEU 862 Cb -0.10 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.62 3ddf s LEU 862 CO 0.18 0.02 0.24 -1.83 0.23 0.00 0.00 176.35 175.19 3ddf s GLU 863 N -1.00 0.59 -0.09 1.70 -1.05 0.05 -0.37 118.70 118.53 3ddf s GLU 863 Ca 0.00 -0.28 -0.04 0.00 -0.15 0.00 0.00 54.97 54.50 3ddf s GLU 863 Cb -0.07 0.26 0.04 0.00 -0.44 0.00 0.00 34.13 33.92 3ddf s GLU 863 CO 0.01 -0.15 0.20 -1.50 0.95 0.00 0.00 175.26 174.76 3ddf s ILE 864 N -1.35 -0.08 0.21 1.83 2.07 -0.27 -1.34 121.20 122.26 3ddf s ILE 864 Ca -0.14 0.19 -0.30 0.00 -1.41 0.00 0.00 60.65 58.99 3ddf s ILE 864 Cb -0.06 -0.32 -0.08 0.00 0.13 0.00 0.00 42.46 42.13 3ddf s ILE 864 CO 0.03 0.08 1.11 -0.32 -1.91 0.00 0.00 174.94 173.93 3ddf s MET 865 N 1.37 4.59 -0.24 3.50 -2.45 0.33 -1.42 119.30 125.00 3ddf s MET 865 Ca -0.08 1.77 -0.11 0.00 -1.25 0.00 0.00 55.69 56.02 3ddf s MET 865 Cb -0.11 -3.24 -0.17 0.00 1.25 0.00 0.00 34.83 32.56 3ddf s MET 865 CO -0.07 0.10 -0.11 1.04 1.05 0.00 0.00 175.02 177.03 3ddf n GLN 866 N 2.01 0.62 -3.64 4.11 1.13 0.61 -4.48 117.38 117.74 3ddf n GLN 866 Ca 0.02 0.31 -0.08 0.00 -1.94 0.00 0.00 57.00 55.30 3ddf n GLN 866 Cb 0.45 -1.58 -0.02 0.00 0.11 0.00 0.00 30.24 29.20 3ddf n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3ddf s ASP 867 N -7.08 -0.36 -0.09 1.08 -1.08 -1.23 -4.84 116.67 103.08 3ddf s ASP 867 Ca -0.34 -0.27 -0.07 0.00 -0.52 0.00 0.00 52.55 51.35 3ddf s ASP 867 Cb 0.10 0.59 0.03 0.00 -1.46 0.00 0.00 42.92 42.18 3ddf s ASP 867 CO 0.57 -1.02 0.23 0.00 0.52 0.00 0.00 175.17 175.47 3ddf s ARG 868 N -3.62 0.24 -0.15 4.34 1.70 -1.26 -1.34 118.95 118.85 3ddf s ARG 868 Ca 0.07 0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 55.71 3ddf s ARG 868 Cb -0.03 0.04 0.04 0.00 -0.57 0.00 0.00 34.95 34.43 3ddf s ARG 868 CO -0.03 -0.08 -0.04 0.50 -1.08 0.00 0.00 175.30 174.57 3ddf s ARG 869 N 0.51 1.32 -0.08 3.89 3.52 -0.37 -4.85 118.95 122.89 3ddf s ARG 869 Ca -0.03 -0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3ddf s ARG 869 Cb -0.05 -1.88 0.02 0.00 -1.56 0.00 0.00 34.95 31.49 3ddf s ARG 869 CO -0.03 -0.42 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.49 3ddf s LEU 870 N 1.69 1.00 0.35 -0.88 1.43 -0.15 -0.92 118.68 121.20 3ddf s LEU 870 Ca 0.01 -0.18 0.19 0.00 -1.03 0.00 0.00 54.13 53.12 3ddf s LEU 870 Cb -0.15 -0.60 0.42 0.00 0.03 0.00 0.00 46.19 45.89 3ddf s LEU 870 CO -0.08 -0.13 1.61 0.00 0.23 0.00 0.00 176.35 177.99 3ddf h ALA 871 N 7.96 0.84 -2.85 4.21 0.00 -1.88 0.15 119.26 127.70 3ddf h ALA 871 Ca -0.27 -0.33 -0.59 0.00 0.00 0.00 0.00 54.91 53.71 3ddf h ALA 871 Cb 1.14 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3ddf h ALA 871 CO 0.36 0.46 -0.54 -1.12 0.00 0.00 0.00 179.25 178.41 3ddf s SER 872 N -6.36 5.83 0.39 0.00 0.01 -1.26 -4.14 113.70 108.17 3ddf s SER 872 Ca 0.03 0.03 -0.24 0.00 1.31 0.00 0.00 55.95 57.08 3ddf s SER 872 Cb 0.09 -1.64 -0.09 0.00 0.21 0.00 0.00 66.02 64.59 3ddf s SER 872 CO 0.70 0.11 1.02 -0.62 0.41 0.00 0.00 173.24 174.86 3ddf s ASP 873 N -2.82 6.87 -0.28 2.44 -1.08 -1.26 -3.94 116.67 116.61 3ddf s ASP 873 Ca 0.32 1.96 0.11 0.00 -0.52 0.00 0.00 52.55 54.42 3ddf s ASP 873 Cb -0.11 -2.58 0.56 0.00 -1.46 0.00 0.00 42.92 39.33 3ddf s ASP 873 CO 0.25 -0.41 1.55 -0.90 0.52 0.00 0.00 175.17 176.18 3ddf n ASP 874 N -0.04 3.35 -1.37 -0.34 5.75 -1.26 -4.84 116.55 117.80 3ddf n ASP 874 Ca 0.05 -3.46 -0.13 0.00 -0.01 0.00 0.00 54.79 51.24 3ddf n ASP 874 Cb 0.50 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 3ddf n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ddf n GLU 875 N -0.82 -1.02 -0.13 0.11 1.02 -1.26 -4.87 120.64 113.67 3ddf n GLU 875 Ca 0.34 0.74 0.05 0.00 -0.02 0.00 0.00 57.16 58.27 3ddf n GLU 875 Cb 1.11 -4.93 0.11 0.00 -0.02 0.00 0.00 31.44 27.72 3ddf n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ddf n ARG 876 N -2.38 2.59 0.00 3.49 5.12 -1.26 -4.99 116.66 119.23 3ddf n ARG 876 Ca -0.15 -2.09 0.00 0.00 -1.93 0.00 0.00 57.85 53.68 3ddf n ARG 876 Cb 0.57 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 3ddf n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ddf n GLY 877 N -0.43 0.28 0.20 -0.13 0.00 -1.26 -4.97 105.19 98.88 3ddf n GLY 877 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3ddf n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ddf h LEU 878 N 0.00 0.53 1.20 0.99 5.85 -1.94 -3.48 115.31 118.46 3ddf h LEU 878 Ca 0.00 -0.30 -0.19 0.00 0.84 0.00 0.00 57.88 58.23 3ddf h LEU 878 Cb 0.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3ddf h LEU 878 CO 0.00 1.00 -0.23 0.61 -0.34 0.00 0.00 178.44 179.48 3ddf n GLY 879 N 0.31 0.18 3.48 3.75 0.00 -1.26 -4.84 105.19 106.81 3ddf n GLY 879 Ca -0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3ddf n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ddf s GLN 880 N -4.18 1.19 0.00 1.61 -2.07 -1.26 -4.98 119.66 109.97 3ddf s GLN 880 Ca 0.00 -0.47 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 3ddf s GLN 880 Cb 0.00 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 3ddf s GLN 880 CO 0.00 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 3ddf n GLY 881 N -0.35 -0.90 2.99 2.60 0.00 -1.25 -4.13 105.19 104.15 3ddf n GLY 881 Ca -0.14 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 3ddf n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddf s VAL 882 N -0.39 2.57 -0.05 1.61 1.01 0.53 -4.90 120.40 120.78 3ddf s VAL 882 Ca 0.00 -2.87 0.07 0.00 0.00 0.00 0.00 61.98 59.19 3ddf s VAL 882 Cb 0.00 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.67 3ddf s VAL 882 CO 0.00 -0.72 0.99 0.18 0.00 0.00 0.00 175.10 175.55 3ddf n LEU 883 N 3.64 1.24 -1.18 3.92 4.77 -1.26 -0.98 117.00 127.15 3ddf n LEU 883 Ca 0.04 -1.83 -0.03 0.00 -0.03 0.00 0.00 56.01 54.17 3ddf n LEU 883 Cb 0.37 -0.16 0.21 0.00 -2.33 0.00 0.00 43.42 41.50 3ddf n LEU 883 CO 0.29 0.43 0.74 -0.90 -1.33 0.00 0.00 177.39 176.63 3ddf n ASP 884 N -0.63 2.89 -4.63 -1.43 3.85 -1.26 -5.03 116.55 110.30 3ddf n ASP 884 Ca 0.06 -3.59 -0.38 0.00 -0.71 0.00 0.00 54.79 50.17 3ddf n ASP 884 Cb 0.57 -0.63 0.05 0.00 -1.35 0.00 0.00 41.12 39.77 3ddf n ASP 884 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3ddf n ASN 885 N -0.99 1.00 -3.90 -1.12 3.02 -1.26 -5.03 115.26 106.98 3ddf n ASN 885 Ca 0.32 0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 55.61 3ddf n ASN 885 Cb 1.05 -1.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.72 3ddf n ASN 885 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ddf s LYS 886 N -2.80 0.72 0.27 3.52 -2.85 -1.26 -4.95 119.74 112.38 3ddf s LYS 886 Ca 0.76 -0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 54.55 3ddf s LYS 886 Cb -0.42 0.29 -0.13 0.00 -2.06 0.00 0.00 37.83 35.51 3ddf s LYS 886 CO 0.47 -0.20 1.38 -2.30 0.10 0.00 0.00 175.35 174.79 3ddf n PRO 887 N 0.32 2.08 -4.15 1.78 -0.02 -1.26 -4.83 135.00 128.93 3ddf n PRO 887 Ca -0.17 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3ddf n PRO 887 Cb 0.61 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 3ddf n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ddf s VAL 888 N -0.33 0.43 -0.51 -1.45 0.11 -0.89 -4.93 120.40 112.83 3ddf s VAL 888 Ca 0.65 -0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 59.19 3ddf s VAL 888 Cb -0.62 -0.39 0.11 0.00 -1.53 0.00 0.00 36.38 33.95 3ddf s VAL 888 CO 0.53 0.04 0.45 -0.22 -3.33 0.00 0.00 175.10 172.58 3ddf s LEU 889 N -0.34 5.97 0.15 2.54 2.96 -1.26 -0.55 118.68 128.15 3ddf s LEU 889 Ca 0.00 -1.65 -0.26 0.00 -0.22 0.00 0.00 54.13 52.00 3ddf s LEU 889 Cb -0.03 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.40 3ddf s LEU 889 CO -0.00 -0.78 0.79 -1.00 -1.32 0.00 0.00 176.35 174.04 3ddf s HIS 890 N 1.59 3.88 0.11 5.38 3.76 -0.23 -4.92 115.29 124.87 3ddf s HIS 890 Ca 0.03 1.63 0.08 0.00 -0.15 0.00 0.00 55.06 56.66 3ddf s HIS 890 Cb -0.28 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 3ddf s HIS 890 CO 0.04 0.47 -0.20 0.96 -0.85 0.00 0.00 174.74 175.15 3ddf s ILE 891 N -0.94 1.71 0.15 0.60 -4.36 -1.26 -1.00 121.20 116.10 3ddf s ILE 891 Ca 0.37 -1.58 -0.14 0.00 -0.26 0.00 0.00 60.65 59.04 3ddf s ILE 891 Cb -0.23 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 41.92 3ddf s ILE 891 CO 0.26 -0.09 0.38 -0.31 0.24 0.00 0.00 174.94 175.42 3ddf s TYR 892 N -1.26 0.03 0.00 1.37 1.51 0.01 -1.12 117.35 117.89 3ddf s TYR 892 Ca 0.07 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.81 3ddf s TYR 892 Cb -0.10 0.18 -0.02 0.00 -0.11 0.00 0.00 41.96 41.92 3ddf s TYR 892 CO 0.04 -0.76 -0.18 1.03 -1.11 0.00 0.00 175.55 174.58 3ddf s ARG 893 N -3.88 1.36 -0.23 -0.62 1.81 -0.63 -1.15 118.95 115.61 3ddf s ARG 893 Ca 0.09 -0.71 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 3ddf s ARG 893 Cb 0.02 -1.35 0.03 0.00 -0.45 0.00 0.00 34.95 33.20 3ddf s ARG 893 CO -0.06 0.36 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.63 3ddf s LEU 894 N -0.66 2.93 -0.30 2.53 2.96 -0.74 -1.07 118.68 124.33 3ddf s LEU 894 Ca 0.06 -0.96 0.01 0.00 -0.22 0.00 0.00 54.13 53.02 3ddf s LEU 894 Cb -0.07 -1.57 0.07 0.00 0.50 0.00 0.00 46.19 45.12 3ddf s LEU 894 CO 0.00 -0.11 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.21 3ddf s VAL 895 N 1.24 2.49 -0.16 1.68 1.01 -0.03 -3.68 120.40 122.95 3ddf s VAL 895 Ca -0.01 -1.73 -0.14 0.00 0.00 0.00 0.00 61.98 60.09 3ddf s VAL 895 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3ddf s VAL 895 CO -0.07 -0.21 0.31 -0.22 0.00 0.00 0.00 175.10 174.91 3ddf s LEU 896 N 1.11 4.24 0.04 3.92 2.96 -1.26 -0.99 118.68 128.69 3ddf s LEU 896 Ca -0.03 0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 54.34 3ddf s LEU 896 Cb -0.20 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3ddf s LEU 896 CO -0.04 0.08 0.13 -1.61 -1.32 0.00 0.00 176.35 173.59 3ddf s GLU 897 N 0.53 0.63 -0.05 1.98 2.02 -0.33 -5.02 118.70 118.46 3ddf s GLU 897 Ca 0.17 -0.71 -0.24 0.00 0.02 0.00 0.00 54.97 54.21 3ddf s GLU 897 Cb -0.13 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 3ddf s GLU 897 CO 0.04 -0.17 0.72 0.15 0.02 0.00 0.00 175.26 176.03 3ddf s LYS 898 N -2.61 4.45 0.00 1.61 -0.14 -1.26 -1.22 119.74 120.57 3ddf s LYS 898 Ca -0.05 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 55.49 3ddf s LYS 898 Cb -0.01 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 3ddf s LYS 898 CO -0.04 0.08 0.81 1.33 -0.76 0.00 0.00 175.35 176.77 3ddf n VAL 899 N 3.68 0.66 0.30 3.17 0.24 -0.08 -4.77 118.33 121.54 3ddf n VAL 899 Ca -0.01 -0.73 0.17 0.00 -2.04 0.00 0.00 64.34 61.73 3ddf n VAL 899 Cb 0.51 0.70 0.95 0.00 -1.47 0.00 0.00 33.84 34.54 3ddf n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ddf h ASN 900 N 0.00 0.00 0.05 -1.34 -1.07 -1.62 -1.68 115.58 109.91 3ddf h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3ddf h ASN 900 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 3ddf h ASN 900 CO 0.00 0.03 -0.32 0.59 0.07 0.00 0.00 177.43 177.80 3ddf n ASN 901 N -3.49 1.84 -4.75 6.14 3.02 -1.26 -4.96 115.26 111.79 3ddf n ASN 901 Ca -0.02 -1.40 -0.40 0.00 -0.03 0.00 0.00 54.58 52.72 3ddf n ASN 901 Cb 0.14 0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.54 3ddf n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ddf s VAL 903 N -1.20 3.97 0.30 0.00 1.01 0.45 -4.99 120.40 119.94 3ddf s VAL 903 Ca 0.43 0.55 0.07 0.00 0.00 0.00 0.00 61.98 63.03 3ddf s VAL 903 Cb -0.28 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.30 3ddf s VAL 903 CO 0.35 -1.51 0.30 -0.13 0.00 0.00 0.00 175.10 174.10 3ddf s ARG 904 N 5.06 2.91 0.85 2.72 0.52 -1.26 -4.43 118.95 125.33 3ddf s ARG 904 Ca 0.37 -1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 3ddf s ARG 904 Cb -0.09 -2.60 0.11 0.00 0.52 0.00 0.00 34.95 32.89 3ddf s ARG 904 CO 0.20 0.22 1.16 -2.14 0.02 0.00 0.00 175.30 174.75 3ddf s PRO 905 N -3.97 1.43 1.01 3.54 0.02 -1.26 -4.91 135.00 130.85 3ddf s PRO 905 Ca 0.38 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 3ddf s PRO 905 Cb -0.07 -1.77 0.20 0.00 0.02 0.00 0.00 34.50 32.87 3ddf s PRO 905 CO 0.27 -2.33 1.08 -1.54 -0.33 0.00 0.00 177.00 174.15 3ddf s SER 906 N -2.57 2.39 0.64 2.53 1.04 -1.26 -4.90 113.70 111.57 3ddf s SER 906 Ca 0.68 1.48 0.38 0.00 0.48 0.00 0.00 55.95 58.97 3ddf s SER 906 Cb -0.24 -2.16 2.17 0.00 0.10 0.00 0.00 66.02 65.89 3ddf s SER 906 CO 0.54 -3.32 2.32 0.11 0.98 0.00 0.00 173.24 173.88 3ddf h LYS 907 N -2.02 0.00 -0.01 4.02 1.57 -2.00 -1.92 116.57 116.22 3ddf h LYS 907 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3ddf h LYS 907 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3ddf h LYS 907 CO 0.53 0.00 -0.37 1.28 -0.57 0.00 0.00 179.45 180.32 3ddf n LEU 908 N -3.42 1.47 -4.73 2.94 4.77 -1.26 -4.93 117.00 111.84 3ddf n LEU 908 Ca -0.03 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 3ddf n LEU 908 Cb 0.08 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3ddf n LEU 908 CO 0.23 0.27 0.81 -2.28 -1.33 0.00 0.00 177.39 175.10 3ddf s HIS 909 N -2.50 3.55 -1.47 -1.77 2.46 -0.72 -4.94 115.29 109.90 3ddf s HIS 909 Ca 0.22 1.54 0.30 0.00 0.47 0.00 0.00 55.06 57.58 3ddf s HIS 909 Cb 0.19 -3.31 1.51 0.00 -0.13 0.00 0.00 32.58 30.84 3ddf s HIS 909 CO 0.55 -0.75 2.04 -0.35 -2.47 0.00 0.00 174.74 173.75 3ddf n PRO 910 N 2.67 0.46 -3.94 2.88 -0.05 -1.26 -4.88 135.00 130.88 3ddf n PRO 910 Ca 0.04 0.01 -0.22 0.00 -0.05 0.00 0.00 63.50 63.28 3ddf n PRO 910 Cb 0.46 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.37 3ddf n PRO 910 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ddf s ALA 911 N -2.53 3.70 0.25 0.55 0.00 -1.26 -1.19 121.76 121.27 3ddf s ALA 911 Ca 0.29 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.63 3ddf s ALA 911 Cb 0.20 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 3ddf s ALA 911 CO 0.44 0.07 0.05 0.20 0.00 0.00 0.00 175.76 176.52 3ddf s GLY 912 N -3.92 1.67 0.01 0.00 0.00 -0.91 -4.75 107.32 99.41 3ddf s GLY 912 Ca 0.38 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.27 3ddf s GLY 912 CO 0.25 -1.64 -0.02 -0.19 0.00 0.00 0.00 173.10 171.51 3ddf s TYR 913 N -3.58 0.15 0.68 1.90 1.51 -1.26 -4.02 117.35 112.73 3ddf s TYR 913 Ca 0.33 -0.24 -0.13 0.00 -1.01 0.00 0.00 57.07 56.02 3ddf s TYR 913 Cb 0.07 -0.11 0.01 0.00 -0.11 0.00 0.00 41.96 41.82 3ddf s TYR 913 CO 0.11 -0.08 1.08 -0.51 -1.11 0.00 0.00 175.55 175.04 3ddf s LEU 914 N -0.67 3.25 0.68 -1.29 1.43 -1.26 -4.70 118.68 116.11 3ddf s LEU 914 Ca -0.07 1.80 -0.10 0.00 -1.03 0.00 0.00 54.13 54.74 3ddf s LEU 914 Cb -0.05 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.67 3ddf s LEU 914 CO -0.00 -1.58 1.04 0.42 0.23 0.00 0.00 176.35 176.46 3ddf s THR 915 N -2.71 3.30 0.21 5.49 -4.23 -1.26 -1.02 115.64 115.41 3ddf s THR 915 Ca 0.62 0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 61.28 3ddf s THR 915 Cb -0.17 -3.39 0.14 0.00 1.34 0.00 0.00 72.50 70.42 3ddf s THR 915 CO 0.48 -0.48 1.74 0.28 -0.54 0.00 0.00 174.62 176.10 3ddf h SER 916 N -0.55 0.18 -0.59 3.99 0.02 -1.94 -0.93 113.55 113.72 3ddf h SER 916 Ca -0.45 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 3ddf h SER 916 Cb 1.27 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 3ddf h SER 916 CO 0.63 0.11 0.09 0.00 -1.14 0.00 0.00 176.83 176.52 3ddf h ALA 917 N 1.42 1.00 -0.18 3.77 0.00 -1.99 -0.74 119.26 122.54 3ddf h ALA 917 Ca 0.30 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3ddf h ALA 917 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ddf h ALA 917 CO -0.31 0.63 -0.53 0.00 0.00 0.00 0.00 179.25 179.04 3ddf h ALA 918 N 1.15 0.75 -0.26 0.00 0.00 -1.84 -0.72 119.26 118.33 3ddf h ALA 918 Ca 0.19 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3ddf h ALA 918 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ddf h ALA 918 CO 0.01 0.68 -0.06 1.25 0.00 0.00 0.00 179.25 181.14 3ddf h HIS 919 N 0.40 0.56 -0.65 0.00 2.76 -0.88 -0.70 115.15 116.65 3ddf h HIS 919 Ca 0.01 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.03 3ddf h HIS 919 Cb 1.06 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 3ddf h HIS 919 CO 0.04 0.71 0.26 0.87 -1.30 0.00 0.00 177.93 178.51 3ddf h LYS 920 N 0.26 0.95 -0.85 5.26 1.57 -1.08 -0.81 116.57 121.87 3ddf h LYS 920 Ca 0.07 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3ddf h LYS 920 Cb 0.52 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3ddf h LYS 920 CO 0.02 0.77 0.41 0.00 -0.57 0.00 0.00 179.45 180.08 3ddf h ALA 921 N 1.35 1.09 -0.39 3.86 0.00 -0.83 -0.75 119.26 123.59 3ddf h ALA 921 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ddf h ALA 921 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ddf h ALA 921 CO -0.02 0.66 0.25 1.03 0.00 0.00 0.00 179.25 181.17 3ddf h SER 922 N 1.20 0.45 -0.35 0.00 0.87 -0.46 -2.45 113.55 112.82 3ddf h SER 922 Ca 0.29 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3ddf h SER 922 Cb 0.12 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3ddf h SER 922 CO -0.04 0.34 0.20 1.56 -0.53 0.00 0.00 176.83 178.36 3ddf h GLN 923 N 0.52 0.52 0.00 2.24 4.20 -0.77 -1.28 115.11 120.53 3ddf h GLN 923 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3ddf h GLN 923 Cb -0.05 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3ddf h GLN 923 CO -0.03 0.39 -0.11 1.03 -0.67 0.00 0.00 178.83 179.44 3ddf h SER 924 N 0.52 0.00 0.10 1.46 0.87 -0.66 0.31 113.55 116.15 3ddf h SER 924 Ca 0.14 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.46 3ddf h SER 924 Cb 0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3ddf h SER 924 CO -0.02 0.11 -1.16 -0.07 -0.53 0.00 0.00 176.83 175.16 3ddf h LEU 925 N 0.00 0.33 0.10 2.23 3.38 -1.12 -3.35 115.31 116.88 3ddf h LEU 925 Ca -0.00 -0.85 -0.31 0.00 0.09 0.00 0.00 57.88 56.80 3ddf h LEU 925 Cb 0.56 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3ddf h LEU 925 CO 0.01 1.51 -1.65 -0.07 0.09 0.00 0.00 178.44 178.33 3ddf h LEU 926 N -0.44 0.32 -5.93 1.67 3.38 -1.16 -3.41 115.31 109.75 3ddf h LEU 926 Ca -0.25 -0.53 -0.55 0.00 0.09 0.00 0.00 57.88 56.64 3ddf h LEU 926 Cb 1.63 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 41.88 3ddf h LEU 926 CO 0.05 1.45 -0.95 0.47 0.09 0.00 0.00 178.44 179.55 3ddf n ASP 927 N -3.39 1.80 -4.41 -0.43 8.00 0.09 -4.61 116.55 113.59 3ddf n ASP 927 Ca -0.19 -3.10 -0.29 0.00 0.71 0.00 0.00 54.79 51.92 3ddf n ASP 927 Cb 1.04 -0.63 0.22 0.00 -0.02 0.00 0.00 41.12 41.73 3ddf n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3ddf s PRO 928 N -2.17 -0.52 0.45 -0.24 0.04 -1.25 -4.71 135.00 126.61 3ddf s PRO 928 Ca 0.40 0.46 -0.25 0.00 0.04 0.00 0.00 61.00 61.64 3ddf s PRO 928 Cb 0.23 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 33.06 3ddf s PRO 928 CO -0.09 -3.36 1.44 1.28 0.04 0.00 0.00 177.00 176.32 3ddf n LEU 929 N -4.60 5.11 -4.84 -3.56 4.77 -1.26 -4.77 117.00 107.84 3ddf n LEU 929 Ca 0.06 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.81 3ddf n LEU 929 Cb 0.57 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 3ddf n LEU 929 CO 0.55 -0.14 0.20 -1.81 -1.33 0.00 0.00 177.39 174.86 3ddf s ASP 930 N -0.45 6.82 -0.09 -1.43 1.01 -0.31 -4.91 116.67 117.30 3ddf s ASP 930 Ca 0.61 1.05 0.04 0.00 0.71 0.00 0.00 52.55 54.95 3ddf s ASP 930 Cb -0.45 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3ddf s ASP 930 CO 0.58 0.15 -0.22 -0.54 0.21 0.00 0.00 175.17 175.34 3ddf s LYS 931 N -1.80 2.79 -0.06 8.23 1.02 -1.26 -0.88 119.74 127.78 3ddf s LYS 931 Ca 0.35 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.58 3ddf s LYS 931 Cb -0.15 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 3ddf s LYS 931 CO 0.19 0.16 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.54 3ddf s PHE 932 N 0.37 1.84 -0.22 3.18 0.40 0.28 -1.05 117.98 122.77 3ddf s PHE 932 Ca -0.17 -0.60 -0.05 0.00 -0.60 0.00 0.00 56.93 55.50 3ddf s PHE 932 Cb -0.17 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.09 3ddf s PHE 932 CO 0.08 -0.23 -0.01 0.42 0.70 0.00 0.00 175.22 176.17 3ddf s ILE 933 N 0.21 3.73 0.19 0.64 1.01 0.11 -1.04 121.20 126.05 3ddf s ILE 933 Ca -0.09 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 3ddf s ILE 933 Cb -0.14 -2.70 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 3ddf s ILE 933 CO 0.04 0.41 1.49 0.12 0.00 0.00 0.00 174.94 177.00 3ddf s PHE 934 N 1.30 3.08 0.03 3.97 5.36 -0.68 -1.44 117.98 129.60 3ddf s PHE 934 Ca 0.04 0.84 -0.03 0.00 -0.96 0.00 0.00 56.93 56.82 3ddf s PHE 934 Cb -0.15 -3.84 -0.28 0.00 -0.34 0.00 0.00 43.02 38.42 3ddf s PHE 934 CO 0.00 -2.94 0.95 0.00 -1.46 0.00 0.00 175.22 171.77 3ddf h ALA 935 N 6.14 0.24 -1.61 11.12 0.00 -1.23 -3.46 119.26 130.46 3ddf h ALA 935 Ca -0.44 -1.05 -0.46 0.00 0.00 0.00 0.00 54.91 52.96 3ddf h ALA 935 Cb 1.21 0.19 0.11 0.00 0.00 0.00 0.00 17.79 19.30 3ddf h ALA 935 CO 0.85 1.11 0.21 -1.21 0.00 0.00 0.00 179.25 180.22 3ddf s GLU 936 N -2.63 1.39 0.10 0.00 2.02 -1.26 -5.02 118.70 113.29 3ddf s GLU 936 Ca -0.07 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 3ddf s GLU 936 Cb 0.07 -2.17 -0.22 0.00 0.10 0.00 0.00 34.13 31.91 3ddf s GLU 936 CO 0.86 -1.73 1.21 -0.91 0.02 0.00 0.00 175.26 174.71 3ddf h ASN 937 N -0.88 0.34 -3.52 -0.19 2.35 -1.97 -3.45 115.58 108.26 3ddf h ASN 937 Ca -0.39 -0.34 -0.36 0.00 -0.55 0.00 0.00 56.30 54.66 3ddf h ASN 937 Cb 1.26 -0.11 -0.33 0.00 0.05 0.00 0.00 38.32 39.19 3ddf h ASN 937 CO 0.41 1.24 -0.75 -0.70 -1.65 0.00 0.00 177.43 175.97 3ddf s GLU 938 N -2.79 0.46 -0.57 0.81 2.12 -1.26 -4.96 118.70 112.50 3ddf s GLU 938 Ca -0.03 0.00 -0.16 0.00 0.36 0.00 0.00 54.97 55.14 3ddf s GLU 938 Cb 0.08 -0.56 0.14 0.00 0.26 0.00 0.00 34.13 34.05 3ddf s GLU 938 CO 0.86 -0.10 0.53 -0.46 -0.54 0.00 0.00 175.26 175.56 3ddf s TRP 939 N 0.87 3.31 0.01 5.30 -0.00 -1.26 -5.05 118.94 122.12 3ddf s TRP 939 Ca -0.10 -1.38 -0.30 0.00 -0.00 0.00 0.00 56.10 54.32 3ddf s TRP 939 Cb -0.13 -3.80 -0.05 0.00 -0.00 0.00 0.00 33.47 29.50 3ddf s TRP 939 CO -0.01 -1.02 1.22 0.42 -0.00 0.00 0.00 176.95 177.56 3ddf s ILE 940 N 1.43 4.09 0.00 5.86 -1.09 -1.26 -3.28 121.20 126.94 3ddf s ILE 940 Ca 0.05 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 3ddf s ILE 940 Cb -0.28 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 3ddf s ILE 940 CO 0.02 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 3ddf n GLY 941 N 3.31 0.59 3.76 6.18 0.00 -1.26 -4.80 105.19 112.97 3ddf n GLY 941 Ca 0.10 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3ddf n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddf n ALA 942 N 0.34 2.14 -2.48 4.61 0.00 -1.21 -1.09 120.51 122.83 3ddf n ALA 942 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 3ddf n ALA 942 Cb 0.00 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 16.95 3ddf n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ddf s GLN 943 N -2.21 1.73 0.19 0.00 -0.21 0.18 -4.88 119.66 114.47 3ddf s GLN 943 Ca 0.56 -1.53 0.21 0.00 0.02 0.00 0.00 55.36 54.62 3ddf s GLN 943 Cb -0.47 -1.91 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 3ddf s GLN 943 CO 0.61 0.38 1.05 0.78 -2.12 0.00 0.00 175.29 176.00 3ddf h GLY 944 N 2.78 0.00 -3.74 3.09 0.00 -1.88 -3.44 103.07 99.88 3ddf h GLY 944 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3ddf h GLY 944 CO 0.53 0.00 0.18 1.62 0.00 0.00 0.00 176.54 178.88 3ddf s GLN 945 N -3.23 1.11 -0.03 4.80 0.74 -1.26 -1.50 119.66 120.29 3ddf s GLN 945 Ca -0.00 0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.47 3ddf s GLN 945 Cb 0.09 0.52 0.01 0.00 1.10 0.00 0.00 33.01 34.72 3ddf s GLN 945 CO 0.78 -0.39 -0.07 0.12 -0.55 0.00 0.00 175.29 175.19 3ddf s PHE 946 N -1.90 0.79 0.00 1.67 5.36 -0.49 -4.89 117.98 118.52 3ddf s PHE 946 Ca -0.08 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3ddf s PHE 946 Cb -0.00 -0.59 0.00 0.00 -0.34 0.00 0.00 43.02 42.08 3ddf s PHE 946 CO 0.04 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.10 3ddf n GLY 947 N 3.44 0.85 0.32 13.12 0.00 -1.26 -1.01 105.19 120.65 3ddf n GLY 947 Ca -0.19 -0.05 0.19 0.00 0.00 0.00 0.00 46.02 45.96 3ddf n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ddf h GLY 948 N 0.00 0.00 -1.53 -0.02 0.00 -1.90 0.15 103.07 99.77 3ddf h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ddf h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3ddf n ASP 949 N -3.51 2.56 -4.75 0.19 5.75 -1.26 -4.95 116.55 110.57 3ddf n ASP 949 Ca -0.03 -1.84 -0.41 0.00 -0.01 0.00 0.00 54.79 52.50 3ddf n ASP 949 Cb 0.08 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 3ddf n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3ddf s HIS 950 N -1.75 3.34 0.42 2.11 3.76 0.04 -4.98 115.29 118.23 3ddf s HIS 950 Ca 0.35 1.49 -0.27 0.00 -0.15 0.00 0.00 55.06 56.48 3ddf s HIS 950 Cb 0.20 -3.48 -0.10 0.00 1.11 0.00 0.00 32.58 30.32 3ddf s HIS 950 CO 0.30 -1.27 1.46 -2.14 -0.85 0.00 0.00 174.74 172.24 3ddf s PRO 951 N -1.14 3.88 -0.50 8.40 0.02 -1.26 -4.70 135.00 139.70 3ddf s PRO 951 Ca 0.49 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 63.86 3ddf s PRO 951 Cb -0.35 -2.80 0.11 0.00 0.02 0.00 0.00 34.50 31.47 3ddf s PRO 951 CO 0.43 -0.69 0.44 0.45 -0.33 0.00 0.00 177.00 177.30 3ddf s SER 952 N -0.32 6.11 0.58 2.53 0.15 -1.26 -4.65 113.70 116.84 3ddf s SER 952 Ca 0.57 -1.62 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 3ddf s SER 952 Cb -0.45 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3ddf s SER 952 CO 0.60 -0.76 1.00 0.00 1.20 0.00 0.00 173.24 175.29 3ddf s ALA 953 N 1.59 3.11 0.37 5.45 0.00 0.21 -2.02 121.76 130.48 3ddf s ALA 953 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.72 3ddf s ALA 953 Cb -0.27 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 3ddf s ALA 953 CO 0.04 -0.53 0.89 -2.13 0.00 0.00 0.00 175.76 174.03 3ddf n ARG 954 N -2.35 1.13 0.27 0.00 0.63 -1.26 -4.68 116.66 110.40 3ddf n ARG 954 Ca 0.06 0.40 0.16 0.00 -0.92 0.00 0.00 57.85 57.55 3ddf n ARG 954 Cb 0.54 -1.83 0.90 0.00 0.45 0.00 0.00 32.46 32.52 3ddf n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3ddf h GLU 955 N 1.49 0.00 -0.00 -0.14 4.11 -1.97 -1.21 114.58 116.86 3ddf h GLU 955 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3ddf h GLU 955 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3ddf h GLU 955 CO 0.57 0.00 -0.08 -0.40 0.07 0.00 0.00 179.01 179.17 3ddf n ASP 956 N -3.80 0.24 -4.84 3.06 5.75 -1.26 -4.84 116.55 110.85 3ddf n ASP 956 Ca -0.02 -0.28 -0.37 0.00 -0.01 0.00 0.00 54.79 54.12 3ddf n ASP 956 Cb 0.16 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 3ddf n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3ddf s LEU 957 N -2.59 4.32 0.06 -2.12 2.96 -0.46 -1.21 118.68 119.64 3ddf s LEU 957 Ca 0.26 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.64 3ddf s LEU 957 Cb 0.20 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3ddf s LEU 957 CO 0.49 0.37 -0.16 -0.62 -1.32 0.00 0.00 176.35 175.10 3ddf s ASP 958 N -0.77 1.94 -0.99 3.68 2.15 -0.06 -4.76 116.67 117.85 3ddf s ASP 958 Ca 0.14 -0.56 -0.15 0.00 0.43 0.00 0.00 52.55 52.41 3ddf s ASP 958 Cb -0.12 -0.11 0.19 0.00 -0.30 0.00 0.00 42.92 42.58 3ddf s ASP 958 CO 0.03 0.02 1.09 -0.69 -0.17 0.00 0.00 175.17 175.45 3ddf s VAL 959 N -1.03 5.26 0.31 1.11 1.01 -1.26 -1.17 120.40 124.62 3ddf s VAL 959 Ca 0.02 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 59.63 3ddf s VAL 959 Cb -0.09 -4.69 0.20 0.00 0.00 0.00 0.00 36.38 31.80 3ddf s VAL 959 CO 0.02 -1.34 1.90 0.28 0.00 0.00 0.00 175.10 175.96 3ddf h SER 960 N 7.81 0.75 -3.59 3.32 0.02 -1.27 -3.42 113.55 117.17 3ddf h SER 960 Ca 0.18 -0.09 -0.32 0.00 -0.84 0.00 0.00 61.79 60.73 3ddf h SER 960 Cb 0.97 -0.19 -0.32 0.00 0.14 0.00 0.00 62.40 63.00 3ddf h SER 960 CO 1.02 0.66 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.94 3ddf s VAL 961 N -5.41 0.15 -0.11 2.27 1.01 -1.14 -4.96 120.40 112.21 3ddf s VAL 961 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3ddf s VAL 961 Cb 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.35 3ddf s VAL 961 CO 0.79 0.11 -0.11 -0.32 0.00 0.00 0.00 175.10 175.57 3ddf s MET 962 N 0.72 1.79 -0.10 2.72 0.00 -1.26 -1.23 119.30 121.94 3ddf s MET 962 Ca -0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 55.69 55.20 3ddf s MET 962 Cb -0.10 -1.70 0.05 0.00 0.00 0.00 0.00 34.83 33.08 3ddf s MET 962 CO -0.01 -0.19 0.19 0.50 0.00 0.00 0.00 175.02 175.51 3ddf s ARG 963 N 1.41 0.08 0.08 4.11 3.52 0.16 -3.29 118.95 125.02 3ddf s ARG 963 Ca 0.01 0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 55.90 3ddf s ARG 963 Cb -0.13 -0.18 -0.06 0.00 -1.56 0.00 0.00 34.95 33.01 3ddf s ARG 963 CO -0.06 -0.28 1.19 0.50 -0.81 0.00 0.00 175.30 175.84 3ddf s ARG 964 N 2.16 4.45 0.00 5.12 3.52 -1.26 -0.44 118.95 132.49 3ddf s ARG 964 Ca 0.01 1.77 0.21 0.00 -0.13 0.00 0.00 55.73 57.58 3ddf s ARG 964 Cb -0.12 -3.33 -0.20 0.00 -1.56 0.00 0.00 34.95 29.74 3ddf s ARG 964 CO -0.07 -0.21 0.92 1.28 -0.81 0.00 0.00 175.30 176.41 3ddf n LEU 965 N 3.68 1.13 -4.34 -0.88 4.77 0.23 -4.92 117.00 116.67 3ddf n LEU 965 Ca 0.08 -0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 55.23 3ddf n LEU 965 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 3ddf n LEU 965 CO 0.55 0.27 -0.56 0.42 -1.33 0.00 0.00 177.39 176.74 3ddf s THR 966 N -2.91 2.09 0.81 -5.08 -4.23 -1.24 -4.95 115.64 100.14 3ddf s THR 966 Ca 0.09 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 3ddf s THR 966 Cb 0.16 -1.81 0.08 0.00 1.34 0.00 0.00 72.50 72.27 3ddf s THR 966 CO 0.82 0.26 1.18 -0.54 -0.54 0.00 0.00 174.62 175.80 3ddf s LYS 967 N -1.47 1.92 0.47 3.99 1.02 -1.26 -4.88 119.74 119.52 3ddf s LYS 967 Ca 0.12 0.08 0.31 0.00 0.02 0.00 0.00 55.97 56.50 3ddf s LYS 967 Cb -0.10 -1.95 1.33 0.00 -0.52 0.00 0.00 37.83 36.59 3ddf s LYS 967 CO 0.03 -1.62 1.93 0.66 -0.92 0.00 0.00 175.35 175.43 3ddf h SER 968 N -1.07 0.00 1.03 2.83 4.64 -1.97 -2.54 113.55 116.47 3ddf h SER 968 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ddf h SER 968 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3ddf h SER 968 CO 0.65 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 3ddf n SER 969 N -2.81 0.49 -4.69 4.97 3.41 -1.26 -4.78 113.62 108.94 3ddf n SER 969 Ca 0.01 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 3ddf n SER 969 Cb 0.26 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3ddf n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ddf s ALA 970 N -3.13 3.48 0.20 7.33 0.00 -0.96 -4.92 121.76 123.76 3ddf s ALA 970 Ca 0.09 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3ddf s ALA 970 Cb 0.12 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.88 3ddf s ALA 970 CO 0.48 -0.71 1.87 -0.22 0.00 0.00 0.00 175.76 177.17 3ddf h LYS 971 N 7.37 0.90 -4.58 0.00 3.64 -1.90 -3.36 116.57 118.63 3ddf h LYS 971 Ca -0.36 -0.05 -0.71 0.00 -1.27 0.00 0.00 60.65 58.26 3ddf h LYS 971 Cb 1.17 -0.20 -0.25 0.00 -0.41 0.00 0.00 32.23 32.54 3ddf h LYS 971 CO 0.87 0.59 -0.51 0.99 -2.27 0.00 0.00 179.45 179.12 3ddf s THR 972 N -6.14 4.56 0.39 1.00 2.01 -1.26 -4.70 115.64 111.49 3ddf s THR 972 Ca -0.13 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 3ddf s THR 972 Cb 0.14 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 3ddf s THR 972 CO 0.77 -0.25 0.96 -1.10 -0.69 0.00 0.00 174.62 174.32 3ddf s GLN 973 N 1.55 4.34 -0.03 4.92 -1.52 -0.71 -4.84 119.66 123.37 3ddf s GLN 973 Ca 0.02 1.27 0.03 0.00 -1.95 0.00 0.00 55.36 54.72 3ddf s GLN 973 Cb -0.19 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.13 3ddf s GLN 973 CO 0.07 0.06 -0.10 1.03 -0.25 0.00 0.00 175.29 176.10 3ddf s ARG 974 N -2.64 1.15 -0.08 2.91 0.52 -1.26 -0.50 118.95 119.05 3ddf s ARG 974 Ca 0.57 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 3ddf s ARG 974 Cb -0.15 -1.04 0.01 0.00 0.52 0.00 0.00 34.95 34.28 3ddf s ARG 974 CO 0.20 0.11 -0.17 0.08 0.02 0.00 0.00 175.30 175.53 3ddf s VAL 975 N 0.27 1.53 -0.03 3.52 1.01 -0.21 -0.60 120.40 125.89 3ddf s VAL 975 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3ddf s VAL 975 Cb -0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3ddf s VAL 975 CO 0.01 0.44 0.07 -0.83 0.00 0.00 0.00 175.10 174.79 3ddf s GLY 976 N 0.50 1.99 -0.03 4.51 0.00 0.41 -0.96 107.32 113.75 3ddf s GLY 976 Ca -0.16 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.75 3ddf s GLY 976 CO 0.06 -0.68 -0.09 -0.19 0.00 0.00 0.00 173.10 172.20 3ddf s TYR 977 N -1.11 0.97 -0.21 1.90 1.51 0.15 -0.67 117.35 119.88 3ddf s TYR 977 Ca 0.20 -0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 55.96 3ddf s TYR 977 Cb -0.12 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 3ddf s TYR 977 CO 0.10 -0.10 0.00 0.08 -1.11 0.00 0.00 175.55 174.52 3ddf s VAL 978 N 0.21 3.89 -0.20 0.71 1.01 -0.37 -1.18 120.40 124.47 3ddf s VAL 978 Ca -0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3ddf s VAL 978 Cb -0.09 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3ddf s VAL 978 CO 0.01 0.41 0.01 -0.22 0.00 0.00 0.00 175.10 175.31 3ddf s LEU 979 N 1.20 3.33 -0.08 3.92 2.96 0.40 -0.69 118.68 129.72 3ddf s LEU 979 Ca 0.03 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3ddf s LEU 979 Cb -0.15 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3ddf s LEU 979 CO 0.01 0.06 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.62 3ddf s HIS 980 N 1.01 2.19 -0.20 5.38 5.65 -0.32 -1.17 115.29 127.84 3ddf s HIS 980 Ca 0.02 -0.86 -0.03 0.00 0.25 0.00 0.00 55.06 54.44 3ddf s HIS 980 Cb -0.14 -1.49 -0.01 0.00 -1.18 0.00 0.00 32.58 29.75 3ddf s HIS 980 CO 0.02 -0.35 -0.05 0.50 -0.65 0.00 0.00 174.74 174.20 3ddf s ARG 981 N 0.39 3.44 0.33 2.88 3.52 -0.73 -0.89 118.95 127.89 3ddf s ARG 981 Ca -0.16 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 3ddf s ARG 981 Cb -0.17 -2.94 0.07 0.00 -1.56 0.00 0.00 34.95 30.35 3ddf s ARG 981 CO 0.07 -0.06 0.45 -2.37 -0.81 0.00 0.00 175.30 172.58 3ddf n THR 982 N 4.38 0.00 -4.07 4.11 5.66 -0.35 -0.38 114.28 123.63 3ddf n THR 982 Ca -0.18 -0.39 -0.27 0.00 -3.05 0.00 0.00 64.05 60.16 3ddf n THR 982 Cb 0.51 -1.69 -0.17 0.00 -1.55 0.00 0.00 70.33 67.44 3ddf n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3ddf s ASN 983 N -2.66 2.15 0.00 1.09 2.47 -1.26 -3.68 114.94 113.05 3ddf s ASN 983 Ca 0.26 -0.32 0.01 0.00 0.42 0.00 0.00 52.86 53.23 3ddf s ASN 983 Cb -0.01 -0.88 -0.04 0.00 -1.45 0.00 0.00 41.25 38.88 3ddf s ASN 983 CO 0.18 -0.08 0.01 -0.76 -3.72 0.00 0.00 177.10 172.73 3ddf s LEU 984 N 1.45 3.54 0.47 3.21 1.43 -1.26 -4.26 118.68 123.27 3ddf s LEU 984 Ca 0.01 -0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 3ddf s LEU 984 Cb -0.13 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 3ddf s LEU 984 CO -0.06 0.28 1.23 -0.04 0.23 0.00 0.00 176.35 177.98 3ddf s MET 985 N -1.60 3.66 -0.42 1.70 -1.94 -0.19 -4.98 119.30 115.53 3ddf s MET 985 Ca 0.20 1.93 -0.28 0.00 -1.71 0.00 0.00 55.69 55.84 3ddf s MET 985 Cb -0.12 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.31 3ddf s MET 985 CO 0.11 -0.68 1.04 -0.65 -0.01 0.00 0.00 175.02 174.83 3ddf s GLN 986 N -2.66 3.79 -0.08 2.03 -0.21 -1.26 -4.67 119.66 116.59 3ddf s GLN 986 Ca 0.64 0.60 0.12 0.00 0.02 0.00 0.00 55.36 56.74 3ddf s GLN 986 Cb -0.33 -3.85 0.18 0.00 1.00 0.00 0.00 33.01 30.01 3ddf s GLN 986 CO 0.40 -1.16 1.07 0.00 -2.12 0.00 0.00 175.29 173.48 3ddf n GLY 988 N -0.95 0.82 3.63 0.00 0.00 -1.26 -4.67 105.19 102.77 3ddf n GLY 988 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3ddf n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ddf s THR 989 N -2.10 4.96 0.47 2.61 2.01 -1.26 -4.93 115.64 117.40 3ddf s THR 989 Ca 0.00 1.23 0.15 0.00 0.31 0.00 0.00 61.69 63.37 3ddf s THR 989 Cb 0.00 -3.97 0.30 0.00 0.01 0.00 0.00 72.50 68.84 3ddf s THR 989 CO 0.00 0.01 2.07 -0.65 -0.69 0.00 0.00 174.62 175.36 3ddf h PRO 990 N 7.81 0.23 -3.08 4.92 0.11 -2.05 -3.46 132.00 136.47 3ddf h PRO 990 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ddf h PRO 990 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ddf h PRO 990 CO 0.79 0.15 0.00 -1.91 -0.21 0.00 0.00 178.00 176.82 3ddf n GLU 991 N -4.48 0.00 0.00 1.05 2.13 -1.26 -4.93 120.64 113.15 3ddf n GLU 991 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3ddf n GLU 991 Cb 0.22 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.93 3ddf n GLU 991 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3ddf n GLU 992 N -0.26 0.00 -0.11 5.31 4.07 -1.26 -5.01 120.64 123.38 3ddf n GLU 992 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3ddf n GLU 992 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3ddf n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 3ddf n HIS 993 N 0.00 0.00 -4.40 4.31 1.44 -1.26 -5.01 115.22 110.30 3ddf n HIS 993 Ca 0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 3ddf n HIS 993 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 3ddf n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3ddf s THR 994 N 0.00 0.67 0.04 0.61 -4.23 -1.26 -5.06 115.64 106.41 3ddf s THR 994 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3ddf s THR 994 Cb 0.00 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 3ddf s THR 994 CO 0.00 0.00 0.16 -1.10 -0.54 0.00 0.00 174.62 173.14 3ddf s GLN 995 N -3.86 3.25 0.27 3.99 -0.21 -0.86 -4.95 119.66 117.30 3ddf s GLN 995 Ca 0.34 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 3ddf s GLN 995 Cb 0.06 -2.95 -0.11 0.00 1.00 0.00 0.00 33.01 31.01 3ddf s GLN 995 CO 0.15 0.62 1.56 0.21 -2.12 0.00 0.00 175.29 175.71 3ddf s LYS 996 N -2.26 4.16 -0.28 2.91 2.20 -1.26 -4.15 119.74 121.06 3ddf s LYS 996 Ca 0.30 2.50 -0.09 0.00 -0.36 0.00 0.00 55.97 58.33 3ddf s LYS 996 Cb -0.13 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 3ddf s LYS 996 CO 0.23 -0.58 0.11 -1.17 -0.36 0.00 0.00 175.35 173.58 3ddf s LEU 997 N -0.32 3.76 -0.47 5.43 2.96 -1.26 -4.88 118.68 123.90 3ddf s LEU 997 Ca 0.63 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3ddf s LEU 997 Cb -0.46 -1.97 0.12 0.00 0.50 0.00 0.00 46.19 44.38 3ddf s LEU 997 CO 0.45 -0.10 0.28 -0.62 -1.32 0.00 0.00 176.35 175.04 3ddf s ASP 998 N 1.63 5.29 0.59 3.68 3.68 -1.26 -4.54 116.67 125.74 3ddf s ASP 998 Ca 0.06 -2.24 0.33 0.00 2.13 0.00 0.00 52.55 52.83 3ddf s ASP 998 Cb -0.16 -1.85 1.85 0.00 -1.45 0.00 0.00 42.92 41.30 3ddf s ASP 998 CO 0.05 -0.51 2.22 -0.37 0.13 0.00 0.00 175.17 176.69 3ddf h VAL 999 N 6.06 0.37 0.00 1.11 -1.51 -1.96 -1.95 116.25 118.37 3ddf h VAL 999 Ca -0.11 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 3ddf h VAL 999 Cb 1.02 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3ddf h VAL 999 CO 0.72 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 177.09 3ddf n HIS 1001N -2.31 0.90 0.12 0.00 8.25 -0.73 -4.54 115.22 116.91 3ddf n HIS 1001Ca 0.03 -0.65 -0.02 0.00 -0.26 0.00 0.00 57.72 56.81 3ddf n HIS 1001Cb 0.27 -0.18 0.21 0.00 1.12 0.00 0.00 29.99 31.41 3ddf n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ddf h LEU 1002N 2.53 0.16 -9.58 2.41 3.38 -1.51 -3.42 115.31 109.28 3ddf h LEU 1002Ca 0.00 -0.08 -0.65 0.00 0.09 0.00 0.00 57.88 57.24 3ddf h LEU 1002Cb 1.16 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 3ddf h LEU 1002CO 0.14 0.63 -0.59 -0.76 0.09 0.00 0.00 178.44 177.95 3ddf s LEU 1003N -8.02 3.84 0.83 1.67 1.43 -1.26 -5.11 118.68 112.06 3ddf s LEU 1003Ca -0.03 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 3ddf s LEU 1003Cb 0.13 -2.33 0.09 0.00 0.03 0.00 0.00 46.19 44.11 3ddf s LEU 1003CO 0.77 0.24 1.12 -2.16 0.23 0.00 0.00 176.35 176.55 3ddf s PRO 1004N -1.94 1.78 -1.26 1.29 0.04 -1.26 -4.26 135.00 129.38 3ddf s PRO 1004Ca 0.25 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 3ddf s PRO 1004Cb -0.12 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3ddf s PRO 1004CO 0.16 -1.79 0.80 0.09 0.04 0.00 0.00 177.00 176.30 3ddf n ASN 1005N -3.51 -5.71 -4.75 6.66 5.03 -1.26 -4.79 115.26 106.93 3ddf n ASN 1005Ca 0.07 -0.37 -0.41 0.00 0.87 0.00 0.00 54.58 54.74 3ddf n ASN 1005Cb 0.58 -4.42 -0.02 0.00 -1.02 0.00 0.00 39.78 34.90 3ddf n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3ddf s VAL 1006N -3.20 2.62 -0.02 2.41 0.11 -1.26 -2.31 120.40 118.75 3ddf s VAL 1006Ca 0.40 0.54 0.03 0.00 -2.93 0.00 0.00 61.98 60.02 3ddf s VAL 1006Cb -0.18 -3.34 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 3ddf s VAL 1006CO 0.49 0.10 0.08 0.00 -3.33 0.00 0.00 175.10 172.43 3ddf n ALA 1007N 1.97 2.15 -3.50 1.54 0.00 0.95 -4.90 120.51 118.72 3ddf n ALA 1007Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 3ddf n ALA 1007Cb 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 3ddf n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ddf s ARG 1008N -2.12 1.07 -0.04 0.00 3.52 -1.16 -4.99 118.95 115.24 3ddf s ARG 1008Ca -0.01 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 3ddf s ARG 1008Cb 0.02 0.50 0.03 0.00 -1.56 0.00 0.00 34.95 33.94 3ddf s ARG 1008CO 0.13 -0.37 -0.01 0.00 -0.81 0.00 0.00 175.30 174.24 3ddf s GLU 1010N 1.03 1.11 0.08 0.00 2.02 -0.29 -1.28 118.70 121.37 3ddf s GLU 1010Ca -0.10 -0.56 -0.28 0.00 0.02 0.00 0.00 54.97 54.06 3ddf s GLU 1010Cb -0.14 -1.09 -0.06 0.00 0.10 0.00 0.00 34.13 32.95 3ddf s GLU 1010CO -0.01 0.29 0.87 0.50 0.02 0.00 0.00 175.26 176.93 3ddf s ARG 1011N -0.48 4.60 0.32 1.61 3.52 -0.15 -0.67 118.95 127.69 3ddf s ARG 1011Ca 0.05 1.26 0.04 0.00 -0.13 0.00 0.00 55.73 56.95 3ddf s ARG 1011Cb -0.06 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 3ddf s ARG 1011CO -0.00 0.25 0.04 0.95 -0.81 0.00 0.00 175.30 175.73 3ddf s THR 1012N -0.03 1.29 0.99 4.11 -4.23 -0.06 0.05 115.64 117.76 3ddf s THR 1012Ca 0.43 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.81 3ddf s THR 1012Cb -0.22 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 71.06 3ddf s THR 1012CO 0.26 -0.05 1.11 0.42 -0.54 0.00 0.00 174.62 175.82 3ddf s THR 1013N -3.23 2.06 0.27 3.99 -4.23 -0.72 -3.97 115.64 109.82 3ddf s THR 1013Ca 0.35 0.02 0.37 0.00 -1.18 0.00 0.00 61.69 61.25 3ddf s THR 1013Cb 0.08 -2.05 0.41 0.00 1.34 0.00 0.00 72.50 72.28 3ddf s THR 1013CO 0.15 -0.03 2.11 -0.07 -0.54 0.00 0.00 174.62 176.24 3ddf h LEU 1014N -2.10 0.00 -0.13 4.79 3.38 -1.73 -0.27 115.31 119.25 3ddf h LEU 1014Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ddf h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3ddf h LEU 1014CO 0.44 0.00 -0.06 0.35 0.09 0.00 0.00 178.44 179.26 3ddf n THR 1015N -3.08 0.00 -0.96 0.22 -2.24 -1.26 -4.94 114.28 102.02 3ddf n THR 1015Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3ddf n THR 1015Cb 0.23 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3ddf n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ddf n PHE 1016N -1.08 0.00 1.01 4.78 0.99 -0.11 -4.92 117.46 118.13 3ddf n PHE 1016Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.72 3ddf n PHE 1016Cb 0.25 -0.71 0.19 0.00 -1.00 0.00 0.00 39.48 38.21 3ddf n PHE 1016CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3ddf n LEU 1017N 0.00 0.61 -3.80 4.37 4.77 -1.26 -4.82 117.00 116.87 3ddf n LEU 1017Ca 0.00 -0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.73 3ddf n LEU 1017Cb 0.15 -0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.88 3ddf n LEU 1017CO 0.00 0.15 -0.36 -1.58 -1.33 0.00 0.00 177.39 174.27 3ddf s GLN 1018N -2.99 0.07 -0.01 3.23 0.74 -1.26 -5.02 119.66 114.42 3ddf s GLN 1018Ca 0.11 0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 3ddf s GLN 1018Cb 0.17 -0.29 -0.03 0.00 1.10 0.00 0.00 33.01 33.96 3ddf s GLN 1018CO 0.72 -0.14 0.99 -0.80 -0.55 0.00 0.00 175.29 175.52 3ddf s ASN 1019N 0.92 7.35 -0.13 6.67 0.01 -1.26 -1.75 114.94 126.75 3ddf s ASN 1019Ca -0.08 1.66 0.07 0.00 -0.71 0.00 0.00 52.86 53.80 3ddf s ASN 1019Cb -0.12 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.85 3ddf s ASN 1019CO -0.02 -0.28 -0.02 0.18 -1.51 0.00 0.00 177.10 175.44 3ddf n LEU 1020N 4.01 1.04 -3.70 0.60 4.77 0.11 -4.96 117.00 118.86 3ddf n LEU 1020Ca 0.06 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 3ddf n LEU 1020Cb 0.51 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3ddf n LEU 1020CO 0.52 0.45 0.11 -0.70 -1.33 0.00 0.00 177.39 176.45 3ddf s GLU 1021N -2.29 0.47 -0.24 3.23 2.12 -0.96 -4.97 118.70 116.06 3ddf s GLU 1021Ca -0.11 0.78 -0.22 0.00 0.36 0.00 0.00 54.97 55.78 3ddf s GLU 1021Cb 0.04 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 3ddf s GLU 1021CO 0.44 -0.12 0.72 -1.58 -0.54 0.00 0.00 175.26 174.18 3ddf s HIS 1022N 1.02 3.31 -0.18 5.30 5.65 -1.26 -0.98 115.29 128.15 3ddf s HIS 1022Ca -0.06 0.98 -0.15 0.00 0.25 0.00 0.00 55.06 56.08 3ddf s HIS 1022Cb -0.06 -2.93 -0.04 0.00 -1.18 0.00 0.00 32.58 28.36 3ddf s HIS 1022CO -0.09 -0.34 0.36 -0.51 -0.65 0.00 0.00 174.74 173.52 3ddf s LEU 1023N 2.56 4.20 0.29 8.88 1.43 -0.41 -4.99 118.68 130.64 3ddf s LEU 1023Ca 0.31 0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 3ddf s LEU 1023Cb -0.15 -2.47 -0.11 0.00 0.03 0.00 0.00 46.19 43.48 3ddf s LEU 1023CO 0.08 -0.00 1.58 -1.81 0.23 0.00 0.00 176.35 176.43 3ddf s ASP 1024N 0.81 6.38 0.00 2.29 1.01 -1.26 -1.97 116.67 123.93 3ddf s ASP 1024Ca 0.18 2.94 0.00 0.00 0.71 0.00 0.00 52.55 56.39 3ddf s ASP 1024Cb -0.14 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.15 3ddf s ASP 1024CO 0.07 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.15 3ddf n GLY 1025N 2.10 0.87 2.94 0.21 0.00 -1.26 -2.68 105.19 107.36 3ddf n GLY 1025Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3ddf n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ddf n MET 1026N -2.09 -3.70 -4.48 1.61 2.81 -0.83 -4.98 117.12 105.45 3ddf n MET 1026Ca 0.00 0.78 -0.34 0.00 -1.81 0.00 0.00 57.70 56.33 3ddf n MET 1026Cb 0.00 -5.54 -0.13 0.00 -0.71 0.00 0.00 33.22 26.85 3ddf n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ddf s VAL 1027N -3.02 3.65 -0.47 2.03 1.01 -1.09 -4.61 120.40 117.90 3ddf s VAL 1027Ca 0.24 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 3ddf s VAL 1027Cb -0.12 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3ddf s VAL 1027CO 0.30 0.50 0.70 0.00 0.00 0.00 0.00 175.10 176.60 3ddf s ALA 1028N 0.41 3.32 0.64 5.51 0.00 -1.26 -4.75 121.76 125.63 3ddf s ALA 1028Ca -0.06 -1.30 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 3ddf s ALA 1028Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3ddf s ALA 1028CO 0.03 -1.94 1.13 -2.14 0.00 0.00 0.00 175.76 172.85 3ddf s PRO 1029N 3.00 2.86 0.92 0.00 0.02 -1.26 -4.59 135.00 135.94 3ddf s PRO 1029Ca 0.23 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 62.65 3ddf s PRO 1029Cb -0.15 -1.95 0.14 0.00 0.02 0.00 0.00 34.50 32.57 3ddf s PRO 1029CO 0.18 -1.23 1.10 -1.21 -0.33 0.00 0.00 177.00 175.51 3ddf s GLU 1030N -3.83 1.08 0.26 5.54 2.02 -1.26 -5.02 118.70 117.48 3ddf s GLU 1030Ca 0.70 0.65 0.06 0.00 0.02 0.00 0.00 54.97 56.40 3ddf s GLU 1030Cb -0.23 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 3ddf s GLU 1030CO 0.38 -2.32 0.26 0.14 0.02 0.00 0.00 175.26 173.74 3ddf s VAL 1031N -3.00 4.63 0.65 2.63 -7.23 -1.26 -5.11 120.40 111.71 3ddf s VAL 1031Ca 0.64 -1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 3ddf s VAL 1031Cb -0.17 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 3ddf s VAL 1031CO 0.56 -0.33 1.04 0.00 -0.31 0.00 0.00 175.10 176.07 3ddf n PRO 1033N -2.91 1.91 -0.91 0.00 -0.02 -1.26 -1.25 135.00 130.57 3ddf n PRO 1033Ca 0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ddf n PRO 1033Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3ddf n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ddf n MET 1034N 2.14 -0.56 -3.61 -0.52 2.81 0.49 -4.93 117.12 112.95 3ddf n MET 1034Ca 0.13 0.14 -0.27 0.00 -1.81 0.00 0.00 57.70 55.89 3ddf n MET 1034Cb 0.30 -3.71 -0.03 0.00 -0.71 0.00 0.00 33.22 29.07 3ddf n MET 1034CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3ddf s GLU 1035N -0.73 3.53 -0.04 0.03 2.12 -0.38 -4.93 118.70 118.30 3ddf s GLU 1035Ca 0.00 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.03 3ddf s GLU 1035Cb 0.00 -2.79 0.01 0.00 0.26 0.00 0.00 34.13 31.62 3ddf s GLU 1035CO 0.00 0.33 -0.06 0.99 -0.54 0.00 0.00 175.26 175.98 3ddf s THR 1036N -1.98 0.65 0.11 -1.70 2.01 -1.26 -1.78 115.64 111.68 3ddf s THR 1036Ca 0.39 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.19 3ddf s THR 1036Cb -0.11 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3ddf s THR 1036CO 0.30 0.23 -0.09 0.00 -0.69 0.00 0.00 174.62 174.38 3ddf s ALA 1037N 0.59 1.11 0.00 7.40 0.00 -0.32 -4.99 121.76 125.56 3ddf s ALA 1037Ca -0.09 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.64 3ddf s ALA 1037Cb -0.12 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3ddf s ALA 1037CO 0.01 -0.13 -0.19 0.00 0.00 0.00 0.00 175.76 175.45 3ddf s ALA 1038N -3.04 1.58 0.05 0.00 0.00 -1.25 -0.45 121.76 118.64 3ddf s ALA 1038Ca 0.10 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3ddf s ALA 1038Cb 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3ddf s ALA 1038CO -0.02 0.38 -0.11 0.71 0.00 0.00 0.00 175.76 176.71 3ddf s TYR 1039N -0.54 0.99 -0.10 0.00 1.51 -0.32 -0.88 117.35 118.00 3ddf s TYR 1039Ca 0.07 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 3ddf s TYR 1039Cb -0.08 -0.58 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 3ddf s TYR 1039CO -0.00 0.00 -0.13 0.08 -1.11 0.00 0.00 175.55 174.39 3ddf s VAL 1040N -1.12 1.31 -0.12 0.71 1.01 0.16 -0.68 120.40 121.67 3ddf s VAL 1040Ca -0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3ddf s VAL 1040Cb -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3ddf s VAL 1040CO 0.01 0.40 0.12 -0.94 0.00 0.00 0.00 175.10 174.70 3ddf s SER 1041N 1.04 6.23 -0.04 3.32 1.04 -0.13 -1.14 113.70 124.02 3ddf s SER 1041Ca -0.06 0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.82 3ddf s SER 1041Cb -0.15 -1.99 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 3ddf s SER 1041CO -0.02 0.40 -0.14 -0.44 0.98 0.00 0.00 173.24 174.03 3ddf s SER 1042N -0.96 4.10 -0.04 7.02 0.01 -0.06 -1.04 113.70 122.73 3ddf s SER 1042Ca 0.14 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.22 3ddf s SER 1042Cb -0.12 -0.87 0.01 0.00 0.21 0.00 0.00 66.02 65.26 3ddf s SER 1042CO 0.04 0.33 -0.07 -1.00 0.41 0.00 0.00 173.24 172.94 3ddf s HIS 1043N -0.78 0.94 -0.89 2.43 3.76 0.34 -0.03 115.29 121.05 3ddf s HIS 1043Ca 0.12 -0.27 0.26 0.00 -0.15 0.00 0.00 55.06 55.03 3ddf s HIS 1043Cb -0.11 -0.73 0.79 0.00 1.11 0.00 0.00 32.58 33.64 3ddf s HIS 1043CO 0.02 -0.17 1.64 -1.13 -0.85 0.00 0.00 174.74 174.25 3ddf n SER 1044N 3.70 0.41 0.00 1.40 3.41 -0.98 -1.74 113.62 119.82 3ddf n SER 1044Ca -0.22 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ddf n SER 1044Cb 0.52 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3ddf n SER 1044CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34