#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bvx s GLN 32 N -1.95 4.03 -0.23 0.00 -0.21 -1.26 -4.98 119.66 115.05 3bvx s GLN 32 Ca 0.52 2.10 -0.29 0.00 0.02 0.00 0.00 55.36 57.71 3bvx s GLN 32 Cb -0.37 -2.78 0.01 0.00 1.00 0.00 0.00 33.01 30.87 3bvx s GLN 32 CO 0.48 -0.42 1.11 0.34 -2.12 0.00 0.00 175.29 174.67 3bvx s ASP 33 N -0.79 7.01 0.00 5.90 3.68 -1.26 -4.86 116.67 126.36 3bvx s ASP 33 Ca 0.56 1.39 0.23 0.00 2.13 0.00 0.00 52.55 56.85 3bvx s ASP 33 Cb -0.37 -2.54 0.49 0.00 -1.45 0.00 0.00 42.92 39.06 3bvx s ASP 33 CO 0.47 -0.75 1.43 1.33 0.13 0.00 0.00 175.17 177.79 3bvx n VAL 34 N 5.47 0.38 -0.07 1.11 0.24 -1.26 -4.41 118.33 119.79 3bvx n VAL 34 Ca 0.13 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.34 61.70 3bvx n VAL 34 Cb 0.46 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.64 3bvx n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3bvx n VAL 35 N 1.17 0.74 0.83 3.34 0.31 -1.26 -4.86 118.33 118.60 3bvx n VAL 35 Ca 0.18 -0.25 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 3bvx n VAL 35 Cb 0.53 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 3bvx n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bvx n GLN 36 N -3.10 1.32 -3.84 5.55 6.02 -1.26 -4.24 117.38 117.83 3bvx n GLN 36 Ca -0.24 -0.38 -0.36 0.00 -0.01 0.00 0.00 57.00 56.01 3bvx n GLN 36 Cb 0.73 -1.34 -0.13 0.00 1.02 0.00 0.00 30.24 30.51 3bvx n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bvx s ASP 37 N -2.43 4.89 -0.26 1.08 1.01 -1.26 -4.90 116.67 114.79 3bvx s ASP 37 Ca 0.10 -0.94 -0.29 0.00 0.71 0.00 0.00 52.55 52.14 3bvx s ASP 37 Cb 0.14 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.29 3bvx s ASP 37 CO 0.61 -0.21 1.10 -0.69 0.21 0.00 0.00 175.17 176.20 3bvx s VAL 38 N 1.39 4.52 0.53 -1.27 1.01 -1.26 -4.77 120.40 120.55 3bvx s VAL 38 Ca -0.00 1.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.55 3bvx s VAL 38 Cb -0.18 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 3bvx s VAL 38 CO -0.00 -0.32 1.35 -2.84 0.00 0.00 0.00 175.10 173.29 3bvx s PRO 39 N 3.50 3.23 -0.41 2.72 0.02 -1.26 -4.97 135.00 137.83 3bvx s PRO 39 Ca 0.47 2.23 -0.16 0.00 0.02 0.00 0.00 61.00 63.55 3bvx s PRO 39 Cb -0.15 -2.31 0.02 0.00 0.02 0.00 0.00 34.50 32.08 3bvx s PRO 39 CO 0.12 -1.11 0.37 1.21 -0.33 0.00 0.00 177.00 177.26 3bvx s ASN 40 N -0.93 6.15 0.16 2.53 2.47 -1.26 -5.05 114.94 119.01 3bvx s ASN 40 Ca 0.70 -0.77 0.07 0.00 0.42 0.00 0.00 52.86 53.27 3bvx s ASN 40 Cb -0.40 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3bvx s ASN 40 CO 0.48 -0.51 -0.15 0.68 -3.72 0.00 0.00 177.10 173.88 3bvx s VAL 41 N 1.91 1.54 0.16 -5.21 -7.23 -1.26 -5.05 120.40 105.26 3bvx s VAL 41 Ca 0.09 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 3bvx s VAL 41 Cb -0.18 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3bvx s VAL 41 CO 0.12 -0.48 1.50 0.44 -0.31 0.00 0.00 175.10 176.37 3bvx h ASP 42 N 3.12 0.92 -3.16 4.85 3.32 -1.71 -3.42 116.42 120.34 3bvx h ASP 42 Ca -0.40 -0.42 -0.56 0.00 0.02 0.00 0.00 57.03 55.68 3bvx h ASP 42 Cb 1.20 -0.26 -0.36 0.00 0.22 0.00 0.00 39.33 40.13 3bvx h ASP 42 CO 0.55 1.20 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.76 3bvx s VAL 43 N -4.35 1.24 -0.22 -1.35 1.01 -0.38 -4.99 120.40 111.36 3bvx s VAL 43 Ca -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3bvx s VAL 43 Cb 0.11 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3bvx s VAL 43 CO 0.87 0.40 -0.11 -1.58 0.00 0.00 0.00 175.10 174.68 3bvx s GLN 44 N 1.59 2.92 0.38 2.72 -0.44 -1.26 -1.36 119.66 124.21 3bvx s GLN 44 Ca 0.04 -0.91 0.10 0.00 -2.50 0.00 0.00 55.36 52.10 3bvx s GLN 44 Cb -0.13 -2.84 0.77 0.00 -1.64 0.00 0.00 33.01 29.17 3bvx s GLN 44 CO -0.09 -0.32 1.90 0.52 0.50 0.00 0.00 175.29 177.80 3bvx h MET 45 N 7.98 0.21 -0.51 1.67 2.86 -1.45 0.84 114.93 126.53 3bvx h MET 45 Ca -0.37 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.13 3bvx h MET 45 Cb 1.12 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3bvx h MET 45 CO 0.59 0.38 -0.03 1.25 1.06 0.00 0.00 176.91 180.17 3bvx h LEU 46 N 0.20 0.90 -0.83 1.22 5.85 -1.93 -0.59 115.31 120.13 3bvx h LEU 46 Ca 0.04 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 3bvx h LEU 46 Cb 0.42 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3bvx h LEU 46 CO 0.03 1.00 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.44 3bvx h GLU 47 N 0.78 0.44 -0.35 1.25 5.08 -1.63 -1.68 114.58 118.48 3bvx h GLU 47 Ca 0.14 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3bvx h GLU 47 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3bvx h GLU 47 CO 0.03 0.75 0.03 1.25 -1.00 0.00 0.00 179.01 180.07 3bvx h LEU 48 N 0.37 0.57 -1.19 1.33 5.85 -0.75 -2.35 115.31 119.15 3bvx h LEU 48 Ca 0.04 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3bvx h LEU 48 Cb 0.81 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3bvx h LEU 48 CO 0.07 0.71 0.57 1.88 -0.34 0.00 0.00 178.44 181.32 3bvx h TYR 49 N 0.41 0.99 -0.56 1.25 -1.99 -0.88 0.89 116.97 117.09 3bvx h TYR 49 Ca 0.10 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.75 3bvx h TYR 49 Cb 0.39 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3bvx h TYR 49 CO 0.03 0.50 -0.08 0.22 -0.00 0.00 0.00 178.16 178.83 3bvx h ASP 50 N 0.96 1.03 0.36 3.88 -0.00 -1.05 -3.23 116.42 118.37 3bvx h ASP 50 Ca 0.38 -0.33 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 3bvx h ASP 50 Cb 0.25 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.30 3bvx h ASP 50 CO -0.15 1.12 -1.03 -2.11 -0.00 0.00 0.00 179.24 177.07 3bvx n ARG 51 N -4.15 0.24 -2.27 0.28 1.85 -0.83 -4.98 116.66 106.81 3bvx n ARG 51 Ca 0.02 -0.01 -0.39 0.00 -1.00 0.00 0.00 57.85 56.47 3bvx n ARG 51 Cb 0.39 -1.57 -0.02 0.00 -1.05 0.00 0.00 32.46 30.21 3bvx n ARG 51 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3bvx s MET 52 N -3.17 4.18 -0.03 2.89 -1.94 0.25 -5.05 119.30 116.43 3bvx s MET 52 Ca 0.04 1.92 0.14 0.00 -1.71 0.00 0.00 55.69 56.08 3bvx s MET 52 Cb 0.15 -2.82 -0.21 0.00 2.01 0.00 0.00 34.83 33.96 3bvx s MET 52 CO 0.81 -0.23 0.66 0.45 -0.01 0.00 0.00 175.02 176.70 3bvx n SER 53 N 0.36 0.81 -0.26 3.03 2.88 -1.26 -4.96 113.62 114.22 3bvx n SER 53 Ca 0.03 0.38 -0.03 0.00 -1.33 0.00 0.00 58.87 57.91 3bvx n SER 53 Cb 0.45 0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 3bvx n SER 53 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3bvx n PHE 54 N -2.99 0.00 -2.10 0.66 3.01 -1.26 -4.94 117.46 109.84 3bvx n PHE 54 Ca -0.16 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.89 3bvx n PHE 54 Cb 1.01 -1.93 -0.02 0.00 -0.01 0.00 0.00 39.48 38.53 3bvx n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3bvx s LYS 55 N -2.02 4.34 -1.01 -1.08 -0.14 -1.26 -4.94 119.74 113.62 3bvx s LYS 55 Ca 0.00 2.22 -0.07 0.00 -1.36 0.00 0.00 55.97 56.76 3bvx s LYS 55 Cb 0.00 -3.10 0.25 0.00 -1.68 0.00 0.00 37.83 33.30 3bvx s LYS 55 CO 0.00 -0.26 0.96 0.34 -0.76 0.00 0.00 175.35 175.63 3bvx s ASP 56 N -0.14 6.80 -0.04 2.83 2.15 -1.26 -5.01 116.67 121.99 3bvx s ASP 56 Ca 0.53 -3.56 -0.04 0.00 0.43 0.00 0.00 52.55 49.91 3bvx s ASP 56 Cb -0.40 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 3bvx s ASP 56 CO 0.48 -0.27 0.16 0.27 -0.17 0.00 0.00 175.17 175.64 3bvx s ILE 57 N -1.17 5.39 -0.11 4.11 -4.36 -1.26 -5.04 121.20 118.76 3bvx s ILE 57 Ca 0.28 -0.07 -0.29 0.00 -0.26 0.00 0.00 60.65 60.31 3bvx s ILE 57 Cb -0.09 -3.46 -0.05 0.00 1.25 0.00 0.00 42.46 40.10 3bvx s ILE 57 CO -0.09 0.41 1.76 -0.62 0.24 0.00 0.00 174.94 176.64 3bvx s ASP 58 N -1.65 6.41 0.00 4.36 3.68 -1.26 -4.65 116.67 123.56 3bvx s ASP 58 Ca 0.23 2.07 0.26 0.00 2.13 0.00 0.00 52.55 57.24 3bvx s ASP 58 Cb -0.12 -2.53 0.59 0.00 -1.45 0.00 0.00 42.92 39.41 3bvx s ASP 58 CO 0.14 -1.17 1.47 0.61 0.13 0.00 0.00 175.17 176.35 3bvx n GLY 59 N 4.55 -0.34 0.00 2.66 0.00 0.30 -5.01 105.19 107.35 3bvx n GLY 59 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3bvx n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvx n GLY 60 N 1.34 0.38 0.33 -0.02 0.00 -1.26 -3.71 105.19 102.25 3bvx n GLY 60 Ca 0.12 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.40 3bvx n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3bvx h VAL 61 N 0.00 1.15 -2.22 1.61 -1.51 -1.93 -2.99 116.25 110.36 3bvx h VAL 61 Ca 0.00 -0.28 -0.59 0.00 -1.23 0.00 0.00 66.70 64.60 3bvx h VAL 61 Cb 0.00 0.27 -0.11 0.00 -2.13 0.00 0.00 31.29 29.32 3bvx h VAL 61 CO 0.00 0.15 0.96 0.86 -1.23 0.00 0.00 177.57 178.31 3bvx s TRP 62 N -5.69 2.52 0.42 5.19 -0.00 -1.20 -4.52 118.94 115.67 3bvx s TRP 62 Ca -0.10 -0.47 0.12 0.00 -0.00 0.00 0.00 56.10 55.65 3bvx s TRP 62 Cb 0.18 -4.51 0.91 0.00 -0.00 0.00 0.00 33.47 30.05 3bvx s TRP 62 CO 0.76 -1.87 1.96 0.87 -0.00 0.00 0.00 176.95 178.67 3bvx h LYS 63 N 9.73 0.10 -0.35 5.86 1.79 -1.82 -1.86 116.57 130.03 3bvx h LYS 63 Ca -0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3bvx h LYS 63 Cb 1.05 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3bvx h LYS 63 CO 1.26 0.26 0.00 1.04 -1.08 0.00 0.00 179.45 180.93 3bvx n GLN 64 N -4.31 3.02 0.00 3.15 6.02 -1.26 -0.54 117.38 123.46 3bvx n GLN 64 Ca -0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 3bvx n GLN 64 Cb 0.25 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3bvx n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bvx n GLY 65 N 0.14 2.56 3.58 1.08 0.00 -0.70 -4.66 105.19 107.20 3bvx n GLY 65 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3bvx n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3bvx s TRP 66 N 3.93 0.42 -0.61 1.61 -2.14 -1.26 -4.27 118.94 116.62 3bvx s TRP 66 Ca 0.00 -0.77 -0.27 0.00 2.66 0.00 0.00 56.10 57.71 3bvx s TRP 66 Cb 0.00 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.56 3bvx s TRP 66 CO 0.00 -1.01 1.46 -0.80 -2.66 0.00 0.00 176.95 173.94 3bvx s ASN 67 N -3.04 5.99 0.18 -2.66 0.01 -1.24 -4.69 114.94 109.49 3bvx s ASN 67 Ca 0.23 0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 52.22 3bvx s ASN 67 Cb -0.01 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.03 3bvx s ASN 67 CO 0.10 -1.85 1.25 -0.63 -1.51 0.00 0.00 177.10 174.45 3bvx s ILE 68 N 6.51 3.44 0.11 0.60 1.01 -1.26 -5.03 121.20 126.57 3bvx s ILE 68 Ca 0.51 1.19 0.09 0.00 0.00 0.00 0.00 60.65 62.44 3bvx s ILE 68 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3bvx s ILE 68 CO 0.22 0.18 -0.19 -0.54 0.00 0.00 0.00 174.94 174.61 3bvx s LYS 69 N -0.12 1.76 0.06 2.79 1.02 -1.26 -4.96 119.74 119.03 3bvx s LYS 69 Ca 0.55 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 55.36 3bvx s LYS 69 Cb -0.34 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3bvx s LYS 69 CO 0.37 0.48 -0.04 1.52 -0.92 0.00 0.00 175.35 176.76 3bvx s TYR 70 N -1.10 0.59 -0.28 3.18 -0.85 -1.26 -4.98 117.35 112.64 3bvx s TYR 70 Ca 0.17 -0.93 -0.21 0.00 -0.52 0.00 0.00 57.07 55.59 3bvx s TYR 70 Cb -0.10 -0.40 -0.01 0.00 0.38 0.00 0.00 41.96 41.83 3bvx s TYR 70 CO 0.09 -0.28 0.65 0.34 -1.52 0.00 0.00 175.55 174.83 3bvx s ASP 71 N -2.68 6.56 0.59 -0.18 -1.08 -1.26 -4.94 116.67 113.69 3bvx s ASP 71 Ca 0.04 0.59 0.32 0.00 -0.52 0.00 0.00 52.55 52.97 3bvx s ASP 71 Cb 0.04 -2.34 1.86 0.00 -1.46 0.00 0.00 42.92 41.01 3bvx s ASP 71 CO -0.07 -0.45 2.25 1.55 0.52 0.00 0.00 175.17 178.97 3bvx h PRO 72 N 8.05 0.00 0.00 4.34 0.13 -2.00 -1.42 132.00 141.09 3bvx h PRO 72 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3bvx h PRO 72 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3bvx h PRO 72 CO 0.80 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.87 3bvx n LEU 73 N -3.70 0.00 -0.31 1.56 4.77 -1.26 -3.61 117.00 114.44 3bvx n LEU 73 Ca -0.03 0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3bvx n LEU 73 Cb 0.10 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3bvx n LEU 73 CO 0.27 -0.00 1.16 0.50 -1.33 0.00 0.00 177.39 177.99 3bvx h LYS 74 N 0.00 1.17 -5.88 3.23 3.64 -1.67 -3.41 116.57 113.65 3bvx h LYS 74 Ca 0.00 -0.13 -0.66 0.00 -1.27 0.00 0.00 60.65 58.59 3bvx h LYS 74 Cb 0.03 -0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 31.52 3bvx h LYS 74 CO 0.00 0.85 -0.55 0.71 -2.27 0.00 0.00 179.45 178.19 3bvx s TYR 75 N -5.87 3.36 0.14 1.91 2.02 -1.24 -4.94 117.35 112.73 3bvx s TYR 75 Ca -0.13 0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 3bvx s TYR 75 Cb 0.16 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.93 3bvx s TYR 75 CO 0.82 0.59 0.28 0.27 -1.57 0.00 0.00 175.55 175.93 3bvx n ASN 76 N 1.61 -0.80 0.15 2.29 0.23 -0.44 -4.89 115.26 113.42 3bvx n ASN 76 Ca -0.16 -1.58 0.10 0.00 -0.53 0.00 0.00 54.58 52.41 3bvx n ASN 76 Cb 0.54 1.34 0.62 0.00 -2.08 0.00 0.00 39.78 40.19 3bvx n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bvx h ALA 77 N 1.98 2.07 -0.39 -2.53 0.00 -1.95 -1.00 119.26 117.43 3bvx h ALA 77 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3bvx h ALA 77 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bvx h ALA 77 CO 0.15 -0.11 0.00 0.72 0.00 0.00 0.00 179.25 180.01 3bvx n HIS 78 N -4.50 0.50 -3.02 0.00 8.25 -1.26 -4.60 115.22 110.59 3bvx n HIS 78 Ca 0.01 -0.25 -0.07 0.00 -0.26 0.00 0.00 57.72 57.14 3bvx n HIS 78 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 3bvx n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3bvx s HIS 79 N -1.50 -1.13 0.36 4.41 5.04 -0.38 -5.15 115.29 116.94 3bvx s HIS 79 Ca 0.38 -0.65 -0.02 0.00 -1.54 0.00 0.00 55.06 53.23 3bvx s HIS 79 Cb 0.21 0.07 -0.04 0.00 0.04 0.00 0.00 32.58 32.86 3bvx s HIS 79 CO 0.30 -1.16 0.60 0.15 -2.34 0.00 0.00 174.74 172.28 3bvx s LYS 80 N 1.05 3.54 -0.23 2.88 1.02 -1.22 -1.32 119.74 125.46 3bvx s LYS 80 Ca 0.26 -0.13 -0.19 0.00 0.02 0.00 0.00 55.97 55.92 3bvx s LYS 80 Cb -0.02 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 3bvx s LYS 80 CO -0.07 0.10 0.57 -1.17 -0.92 0.00 0.00 175.35 173.86 3bvx s LEU 81 N -4.17 4.10 -0.19 3.17 2.96 0.30 -4.87 118.68 119.97 3bvx s LEU 81 Ca 0.42 0.68 -0.18 0.00 -0.22 0.00 0.00 54.13 54.83 3bvx s LEU 81 Cb -0.10 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 3bvx s LEU 81 CO 0.36 -0.28 0.50 -0.75 -1.32 0.00 0.00 176.35 174.86 3bvx s LYS 82 N 2.10 4.21 -0.14 1.98 2.47 0.32 -0.83 119.74 129.85 3bvx s LYS 82 Ca 0.25 0.40 0.02 0.00 -1.56 0.00 0.00 55.97 55.08 3bvx s LYS 82 Cb -0.16 -3.54 0.01 0.00 -1.46 0.00 0.00 37.83 32.68 3bvx s LYS 82 CO 0.09 -0.09 -0.21 0.08 0.16 0.00 0.00 175.35 175.37 3bvx s VAL 83 N 1.46 2.01 -0.31 4.02 1.01 -0.13 -0.00 120.40 128.47 3bvx s VAL 83 Ca 0.24 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3bvx s VAL 83 Cb -0.15 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3bvx s VAL 83 CO 0.10 0.54 0.08 -0.36 0.00 0.00 0.00 175.10 175.46 3bvx s PHE 84 N 0.85 3.19 -0.27 5.22 0.40 -0.01 -1.44 117.98 125.91 3bvx s PHE 84 Ca -0.06 -1.18 -0.18 0.00 -0.60 0.00 0.00 56.93 54.91 3bvx s PHE 84 Cb -0.15 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 3bvx s PHE 84 CO -0.02 -0.64 0.50 0.08 0.70 0.00 0.00 175.22 175.83 3bvx s VAL 85 N 1.45 5.07 -0.39 -0.44 1.01 -0.41 -0.64 120.40 126.06 3bvx s VAL 85 Ca 0.01 0.78 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 3bvx s VAL 85 Cb -0.18 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.48 3bvx s VAL 85 CO 0.02 0.06 0.15 -0.69 0.00 0.00 0.00 175.10 174.64 3bvx s VAL 86 N 2.30 2.93 0.33 2.92 1.01 0.03 -0.53 120.40 129.39 3bvx s VAL 86 Ca 0.20 -2.17 -0.29 0.00 0.00 0.00 0.00 61.98 59.72 3bvx s VAL 86 Cb -0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 3bvx s VAL 86 CO 0.10 -0.66 1.27 -2.84 0.00 0.00 0.00 175.10 172.96 3bvx s PRO 87 N 1.04 4.37 0.20 2.72 0.02 -1.26 -0.57 135.00 141.53 3bvx s PRO 87 Ca 0.09 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 3bvx s PRO 87 Cb -0.21 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.26 3bvx s PRO 87 CO -0.06 -0.14 0.50 -3.38 -0.33 0.00 0.00 177.00 173.59 3bvx s HIS 88 N -1.16 -0.00 -0.15 6.54 -3.43 -0.61 -1.75 115.29 114.72 3bvx s HIS 88 Ca 0.49 -0.35 -0.04 0.00 -0.80 0.00 0.00 55.06 54.36 3bvx s HIS 88 Cb -0.38 0.33 0.07 0.00 -1.43 0.00 0.00 32.58 31.17 3bvx s HIS 88 CO 0.50 -0.92 0.21 0.45 -2.00 0.00 0.00 174.74 172.98 3bvx s SER 89 N -2.90 1.02 -0.33 7.38 0.15 -1.26 -3.78 113.70 113.98 3bvx s SER 89 Ca 0.12 0.09 -0.27 0.00 0.70 0.00 0.00 55.95 56.59 3bvx s SER 89 Cb -0.01 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 3bvx s SER 89 CO -0.01 -0.29 0.95 -2.28 1.20 0.00 0.00 173.24 172.82 3bvx s HIS 90 N 2.33 3.15 -0.36 3.44 2.46 -0.44 -4.76 115.29 121.12 3bvx s HIS 90 Ca 0.05 0.99 0.00 0.00 0.47 0.00 0.00 55.06 56.56 3bvx s HIS 90 Cb -0.14 -3.53 0.09 0.00 -0.13 0.00 0.00 32.58 28.87 3bvx s HIS 90 CO -0.10 -0.72 0.10 -0.80 -2.47 0.00 0.00 174.74 170.76 3bvx s ASN 91 N 1.69 4.97 -0.04 9.88 0.01 -1.26 -0.30 114.94 129.90 3bvx s ASN 91 Ca 0.40 -1.92 -0.30 0.00 -0.71 0.00 0.00 52.86 50.33 3bvx s ASN 91 Cb -0.13 -1.72 -0.05 0.00 0.41 0.00 0.00 41.25 39.77 3bvx s ASN 91 CO 0.15 -0.42 1.37 -1.81 -1.51 0.00 0.00 177.10 174.88 3bvx s ASP 92 N 1.36 6.88 -1.39 -1.22 1.01 -1.26 -4.88 116.67 117.16 3bvx s ASP 92 Ca 0.06 2.02 -0.14 0.00 0.71 0.00 0.00 52.55 55.20 3bvx s ASP 92 Cb -0.21 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.17 3bvx s ASP 92 CO -0.05 -0.72 2.28 -2.65 0.21 0.00 0.00 175.17 174.24 3bvx n PRO 93 N 5.67 2.79 0.00 8.23 -0.02 -1.26 -4.60 135.00 145.81 3bvx n PRO 93 Ca 0.13 -2.45 0.00 0.00 -2.02 0.00 0.00 63.50 59.16 3bvx n PRO 93 Cb 0.44 -3.18 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 3bvx n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bvx n GLY 94 N 4.08 1.71 0.00 -1.23 0.00 -1.26 -4.55 105.19 103.95 3bvx n GLY 94 Ca 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3bvx n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3bvx n TRP 95 N 2.04 0.00 0.61 1.61 -0.00 -1.26 -4.69 117.44 115.75 3bvx n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 3bvx n TRP 95 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.37 3bvx n TRP 95 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 3bvx n ILE 96 N -0.41 0.19 -4.20 5.87 2.08 -1.26 -0.92 119.36 120.70 3bvx n ILE 96 Ca 0.00 -0.23 -0.18 0.00 0.56 0.00 0.00 62.75 62.90 3bvx n ILE 96 Cb 0.00 0.17 -0.12 0.00 -0.75 0.00 0.00 39.64 38.94 3bvx n ILE 96 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3bvx s GLN 97 N -3.17 0.90 0.92 0.38 -1.52 -1.26 -4.84 119.66 111.06 3bvx s GLN 97 Ca 0.05 -1.08 -0.12 0.00 -1.95 0.00 0.00 55.36 52.26 3bvx s GLN 97 Cb 0.14 -0.85 0.14 0.00 -0.22 0.00 0.00 33.01 32.23 3bvx s GLN 97 CO 0.78 0.18 1.09 0.95 -0.25 0.00 0.00 175.29 178.04 3bvx s THR 98 N -1.67 2.56 0.18 -0.19 -4.23 -1.26 -4.01 115.64 107.02 3bvx s THR 98 Ca 0.03 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.53 3bvx s THR 98 Cb -0.08 -2.62 0.13 0.00 1.34 0.00 0.00 72.50 71.28 3bvx s THR 98 CO 0.02 -0.24 1.61 0.15 -0.54 0.00 0.00 174.62 175.63 3bvx h PHE 99 N -1.65 -0.62 -0.12 3.99 3.57 -1.89 0.05 116.94 120.27 3bvx h PHE 99 Ca -0.50 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 60.93 3bvx h PHE 99 Cb 1.29 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 3bvx h PHE 99 CO 0.41 -0.32 -0.48 1.49 -2.23 0.00 0.00 178.31 177.18 3bvx h GLU 100 N -0.13 0.32 -0.11 1.11 4.57 -1.97 0.22 114.58 118.60 3bvx h GLU 100 Ca 0.23 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3bvx h GLU 100 Cb 0.49 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3bvx h GLU 100 CO -0.58 0.73 0.04 0.93 -1.18 0.00 0.00 179.01 178.96 3bvx h GLU 101 N 0.26 0.17 -0.93 1.92 5.08 -1.78 -0.52 114.58 118.77 3bvx h GLU 101 Ca 0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3bvx h GLU 101 Cb 0.94 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 3bvx h GLU 101 CO 0.08 0.28 0.61 1.88 -1.00 0.00 0.00 179.01 180.86 3bvx h TYR 102 N 0.01 1.18 -0.29 4.33 0.05 -0.88 -0.52 116.97 120.85 3bvx h TYR 102 Ca 0.04 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.86 3bvx h TYR 102 Cb 0.18 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 3bvx h TYR 102 CO -0.01 0.75 0.15 -0.92 -1.05 0.00 0.00 178.16 177.07 3bvx h TYR 103 N 1.26 0.27 -0.24 4.88 3.20 -0.61 0.17 116.97 125.91 3bvx h TYR 103 Ca 0.34 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.05 3bvx h TYR 103 Cb -0.14 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3bvx h TYR 103 CO -0.01 0.15 -0.53 1.96 -1.64 0.00 0.00 178.16 178.09 3bvx h GLN 104 N 0.31 0.71 0.00 1.82 1.08 -0.86 -0.51 115.11 117.65 3bvx h GLN 104 Ca 0.12 -0.44 -0.25 0.00 -1.45 0.00 0.00 58.65 56.63 3bvx h GLN 104 Cb 0.03 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3bvx h GLN 104 CO -0.08 1.06 -1.35 1.25 -0.95 0.00 0.00 178.83 178.76 3bvx h HIS 105 N 0.55 0.00 0.00 2.96 2.76 -0.97 -3.45 115.15 117.00 3bvx h HIS 105 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3bvx h HIS 105 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.06 3bvx h HIS 105 CO 0.06 0.99 0.00 -0.25 -1.30 0.00 0.00 177.93 177.43 3bvx n ASP 106 N -3.19 0.22 0.04 3.26 8.00 0.41 -4.87 116.55 120.42 3bvx n ASP 106 Ca -0.08 0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 3bvx n ASP 106 Cb 0.99 0.09 0.20 0.00 -0.02 0.00 0.00 41.12 42.38 3bvx n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3bvx h THR 107 N 0.00 1.28 0.00 -3.53 2.02 -1.01 -0.88 112.91 110.79 3bvx h THR 107 Ca 0.00 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 65.76 3bvx h THR 107 Cb 0.00 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3bvx h THR 107 CO 0.00 0.42 -0.34 0.07 0.37 0.00 0.00 175.52 176.04 3bvx h LYS 108 N 0.36 0.00 -0.08 6.66 2.10 -1.32 -0.35 116.57 123.94 3bvx h LYS 108 Ca 0.05 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.46 3bvx h LYS 108 Cb 0.72 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.07 3bvx h LYS 108 CO 0.06 0.34 -0.89 0.45 -2.00 0.00 0.00 179.45 177.40 3bvx h HIS 109 N 0.00 1.03 -0.43 0.07 3.86 -1.51 -1.35 115.15 116.82 3bvx h HIS 109 Ca -0.00 -0.50 0.03 0.00 -1.16 0.00 0.00 60.37 58.74 3bvx h HIS 109 Cb 0.60 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3bvx h HIS 109 CO 0.00 1.34 0.21 0.82 0.86 0.00 0.00 177.93 181.16 3bvx h ILE 110 N 0.46 0.97 -0.15 2.45 2.04 -0.69 0.08 117.51 122.67 3bvx h ILE 110 Ca -0.08 -0.15 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 3bvx h ILE 110 Cb 1.53 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3bvx h ILE 110 CO 0.18 0.08 -0.69 -0.07 0.00 0.00 0.00 178.15 177.65 3bvx h LEU 111 N 0.43 0.71 0.01 1.44 3.38 -1.09 0.12 115.31 120.31 3bvx h LEU 111 Ca 0.18 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3bvx h LEU 111 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3bvx h LEU 111 CO -0.13 1.20 -0.03 0.28 0.09 0.00 0.00 178.44 179.84 3bvx h SER 112 N 0.44 -0.10 0.59 -0.43 0.02 -1.09 -1.32 113.55 111.66 3bvx h SER 112 Ca -0.02 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 3bvx h SER 112 Cb 1.27 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 3bvx h SER 112 CO 0.13 -0.05 -0.62 0.78 -1.14 0.00 0.00 176.83 175.93 3bvx h ASN 113 N -0.07 0.03 -0.63 3.07 2.35 -0.88 -1.68 115.58 117.77 3bvx h ASN 113 Ca 0.01 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3bvx h ASN 113 Cb 0.08 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3bvx h ASN 113 CO -0.03 0.64 0.37 0.00 -1.65 0.00 0.00 177.43 176.76 3bvx h ALA 114 N 1.36 0.80 -0.28 -0.83 0.00 -0.61 0.18 119.26 119.89 3bvx h ALA 114 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bvx h ALA 114 Cb 1.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3bvx h ALA 114 CO 0.08 0.29 0.19 1.25 0.00 0.00 0.00 179.25 181.06 3bvx h LEU 115 N 0.85 0.32 0.22 0.00 5.85 -0.50 -0.20 115.31 121.86 3bvx h LEU 115 Ca 0.22 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3bvx h LEU 115 Cb -0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3bvx h LEU 115 CO -0.04 0.24 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.10 3bvx h ARG 116 N 0.38 -0.29 -0.29 1.25 2.43 -1.06 -1.35 114.38 115.46 3bvx h ARG 116 Ca 0.10 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3bvx h ARG 116 Cb -0.04 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3bvx h ARG 116 CO -0.02 -0.11 -0.22 1.25 -1.51 0.00 0.00 179.97 179.36 3bvx h HIS 117 N -0.40 0.77 -0.65 2.20 2.76 -0.48 -1.51 115.15 117.83 3bvx h HIS 117 Ca -0.03 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 57.92 3bvx h HIS 117 Cb 0.31 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3bvx h HIS 117 CO -0.03 0.93 0.38 -0.07 -1.30 0.00 0.00 177.93 177.84 3bvx h LEU 118 N 0.39 0.79 -0.65 0.26 3.38 -1.07 -0.35 115.31 118.06 3bvx h LEU 118 Ca 0.05 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3bvx h LEU 118 Cb 0.77 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3bvx h LEU 118 CO 0.06 0.63 0.31 -0.74 0.09 0.00 0.00 178.44 178.79 3bvx h HIS 119 N 0.88 0.55 0.00 1.13 2.76 -1.02 -2.76 115.15 116.70 3bvx h HIS 119 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 3bvx h HIS 119 Cb -0.01 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.81 3bvx h HIS 119 CO -0.01 0.20 -0.21 -0.25 -1.30 0.00 0.00 177.93 176.35 3bvx n ASP 120 N -4.90 0.48 -3.61 3.26 8.00 -0.59 -4.53 116.55 114.66 3bvx n ASP 120 Ca 0.09 0.32 -0.29 0.00 0.71 0.00 0.00 54.79 55.63 3bvx n ASP 120 Cb 0.25 -0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 40.90 3bvx n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3bvx s ASN 121 N -3.73 3.15 0.64 -2.24 0.01 -0.22 -5.02 114.94 107.53 3bvx s ASN 121 Ca 0.11 -2.78 0.39 0.00 -0.71 0.00 0.00 52.86 49.87 3bvx s ASN 121 Cb 0.16 -0.84 2.18 0.00 0.41 0.00 0.00 41.25 43.16 3bvx s ASN 121 CO 0.62 -0.23 2.30 -0.65 -1.51 0.00 0.00 177.10 177.63 3bvx h PRO 122 N 6.39 0.00 0.00 -0.60 0.11 -1.80 -0.75 132.00 135.35 3bvx h PRO 122 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3bvx h PRO 122 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3bvx h PRO 122 CO 0.44 0.00 -0.56 0.39 -0.21 0.00 0.00 178.00 178.06 3bvx n GLU 123 N -3.34 0.05 -2.47 1.05 -0.58 -1.26 -4.90 120.64 109.19 3bvx n GLU 123 Ca -0.03 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.37 3bvx n GLU 123 Cb 0.10 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.42 3bvx n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3bvx s MET 124 N -3.03 3.81 0.19 3.49 1.75 -0.29 -4.66 119.30 120.56 3bvx s MET 124 Ca 0.10 1.47 0.02 0.00 -1.25 0.00 0.00 55.69 56.04 3bvx s MET 124 Cb 0.17 -2.21 -0.05 0.00 2.84 0.00 0.00 34.83 35.58 3bvx s MET 124 CO 0.71 -0.44 -0.01 0.15 -0.65 0.00 0.00 175.02 174.79 3bvx s LYS 125 N -3.02 1.17 -0.27 4.11 -0.14 -1.26 -4.80 119.74 115.53 3bvx s LYS 125 Ca 0.66 -1.57 -0.25 0.00 -1.36 0.00 0.00 55.97 53.45 3bvx s LYS 125 Cb -0.20 -0.39 0.08 0.00 -1.68 0.00 0.00 37.83 35.64 3bvx s LYS 125 CO 0.24 -0.11 0.79 0.12 -0.76 0.00 0.00 175.35 175.64 3bvx s PHE 126 N -3.57 -0.72 0.10 3.18 5.36 -0.42 -4.36 117.98 117.56 3bvx s PHE 126 Ca 0.25 1.76 0.07 0.00 -0.96 0.00 0.00 56.93 58.04 3bvx s PHE 126 Cb 0.06 0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 43.00 3bvx s PHE 126 CO 0.05 -0.35 -0.09 0.96 -1.46 0.00 0.00 175.22 174.33 3bvx s ILE 127 N 0.38 3.43 -0.03 3.12 -4.36 -0.72 -1.20 121.20 121.82 3bvx s ILE 127 Ca 0.00 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 3bvx s ILE 127 Cb -0.05 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.07 3bvx s ILE 127 CO -0.01 0.11 -0.04 0.86 0.24 0.00 0.00 174.94 176.09 3bvx s TRP 128 N -1.23 0.64 -0.14 1.37 -0.11 -0.28 -4.36 118.94 114.83 3bvx s TRP 128 Ca 0.22 -0.15 0.02 0.00 1.22 0.00 0.00 56.10 57.41 3bvx s TRP 128 Cb -0.11 -0.55 -0.10 0.00 -1.50 0.00 0.00 33.47 31.21 3bvx s TRP 128 CO 0.14 -0.14 -0.11 0.00 -4.62 0.00 0.00 176.95 172.22 3bvx n ALA 129 N 3.78 1.69 -2.87 5.86 0.00 -1.26 -0.94 120.51 126.78 3bvx n ALA 129 Ca -0.23 -0.63 -0.44 0.00 0.00 0.00 0.00 53.44 52.14 3bvx n ALA 129 Cb 0.52 0.15 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 3bvx n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bvx s GLU 130 N -2.29 3.09 0.40 0.00 8.01 -1.26 -3.97 118.70 122.68 3bvx s GLU 130 Ca -0.18 -1.04 0.22 0.00 0.01 0.00 0.00 54.97 53.98 3bvx s GLU 130 Cb 0.05 -4.15 0.55 0.00 -4.31 0.00 0.00 34.13 26.27 3bvx s GLU 130 CO 0.35 -1.30 1.67 0.82 0.01 0.00 0.00 175.26 176.80 3bvx h ILE 131 N 5.87 0.47 -0.74 -1.63 1.08 -1.03 -2.75 117.51 118.78 3bvx h ILE 131 Ca -0.28 -1.39 0.13 0.00 -0.39 0.00 0.00 64.86 62.92 3bvx h ILE 131 Cb 1.09 2.01 -0.09 0.00 -3.07 0.00 0.00 36.82 36.77 3bvx h ILE 131 CO 1.00 0.24 0.33 0.77 -0.69 0.00 0.00 178.15 179.79 3bvx h SER 132 N 0.00 0.36 -0.18 1.72 4.64 -1.33 0.15 113.55 118.91 3bvx h SER 132 Ca -0.00 0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 61.20 3bvx h SER 132 Cb 0.99 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3bvx h SER 132 CO 0.03 0.16 -0.69 1.88 -0.87 0.00 0.00 176.83 177.35 3bvx h TYR 133 N 0.51 1.04 -0.64 4.77 0.99 -1.75 -2.68 116.97 119.21 3bvx h TYR 133 Ca 0.39 -0.44 -0.07 0.00 2.00 0.00 0.00 58.73 60.62 3bvx h TYR 133 Cb 0.54 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 38.07 3bvx h TYR 133 CO -0.14 1.27 0.14 0.35 -0.00 0.00 0.00 178.16 179.77 3bvx h PHE 134 N 0.52 1.10 -0.64 4.88 3.57 -1.16 -1.08 116.94 124.13 3bvx h PHE 134 Ca -0.03 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.26 3bvx h PHE 134 Cb 1.32 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3bvx h PHE 134 CO 0.09 0.92 0.13 0.00 -2.23 0.00 0.00 178.31 177.21 3bvx h ALA 135 N 1.05 1.01 -0.76 2.41 0.00 -0.77 0.18 119.26 122.37 3bvx h ALA 135 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3bvx h ALA 135 Cb 0.39 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3bvx h ALA 135 CO 0.01 0.64 0.40 -0.09 0.00 0.00 0.00 179.25 180.20 3bvx h ARG 136 N 0.98 1.08 -0.02 0.00 9.65 -1.10 -2.18 114.38 122.78 3bvx h ARG 136 Ca 0.20 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3bvx h ARG 136 Cb 0.39 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.76 3bvx h ARG 136 CO 0.01 0.81 -0.01 0.35 2.80 0.00 0.00 179.97 183.93 3bvx h PHE 137 N 1.06 0.04 0.25 2.20 3.57 -0.90 -3.29 116.94 119.88 3bvx h PHE 137 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3bvx h PHE 137 Cb 0.07 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3bvx h PHE 137 CO 0.00 0.47 -0.48 -0.92 -2.23 0.00 0.00 178.31 175.15 3bvx h TYR 138 N -0.39 -1.36 0.00 0.41 3.20 -0.57 -1.81 116.97 116.45 3bvx h TYR 138 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3bvx h TYR 138 Cb 0.46 0.56 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3bvx h TYR 138 CO 0.08 -0.57 0.35 1.25 -1.64 0.00 0.00 178.16 177.62 3bvx h HIS 139 N -0.78 0.00 -0.00 -3.82 2.76 -1.52 0.51 115.15 112.30 3bvx h HIS 139 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3bvx h HIS 139 Cb 0.74 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.70 3bvx h HIS 139 CO -0.36 0.00 -0.72 -0.25 -1.30 0.00 0.00 177.93 175.30 3bvx n ASP 140 N -2.56 0.86 -4.77 3.26 9.92 -0.70 -4.94 116.55 117.62 3bvx n ASP 140 Ca -0.01 -0.72 -0.39 0.00 -0.53 0.00 0.00 54.79 53.14 3bvx n ASP 140 Cb 0.38 0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 41.45 3bvx n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bvx s LEU 141 N -2.94 4.28 0.79 0.64 1.43 0.18 -5.04 118.68 118.02 3bvx s LEU 141 Ca 0.11 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 3bvx s LEU 141 Cb 0.17 -3.94 0.06 0.00 0.03 0.00 0.00 46.19 42.52 3bvx s LEU 141 CO 0.76 -0.51 1.09 -0.83 0.23 0.00 0.00 176.35 177.09 3bvx s GLY 142 N -1.12 1.66 0.27 -3.19 0.00 -1.26 -4.76 107.32 98.93 3bvx s GLY 142 Ca 0.54 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 3bvx s GLY 142 CO 0.38 0.55 1.90 -2.09 0.00 0.00 0.00 173.10 173.84 3bvx h GLU 143 N -1.16 1.14 -0.57 2.90 4.57 -1.98 -0.32 114.58 119.17 3bvx h GLU 143 Ca -0.45 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 57.69 3bvx h GLU 143 Cb 1.24 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.53 3bvx h GLU 143 CO 0.53 0.76 0.34 -0.97 -1.18 0.00 0.00 179.01 178.48 3bvx h ASN 144 N 1.18 0.55 0.25 1.04 -0.73 -2.00 -0.64 115.58 115.23 3bvx h ASN 144 Ca 0.41 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.44 3bvx h ASN 144 Cb 0.12 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 3bvx h ASN 144 CO -0.15 0.39 -0.58 0.11 -0.37 0.00 0.00 177.43 176.82 3bvx h LYS 145 N 0.67 0.34 -0.55 6.67 1.79 -1.76 -1.54 116.57 122.19 3bvx h LYS 145 Ca 0.23 -0.22 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3bvx h LYS 145 Cb 0.03 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 3bvx h LYS 145 CO -0.10 0.82 0.30 0.87 -1.08 0.00 0.00 179.45 180.26 3bvx h LYS 146 N 0.25 0.57 -0.62 3.15 1.57 -0.63 0.13 116.57 121.00 3bvx h LYS 146 Ca -0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3bvx h LYS 146 Cb 1.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3bvx h LYS 146 CO 0.10 0.38 0.02 -0.07 -0.57 0.00 0.00 179.45 179.30 3bvx h LEU 147 N 0.59 1.06 -0.87 2.94 3.38 -0.95 -0.33 115.31 121.11 3bvx h LEU 147 Ca 0.23 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3bvx h LEU 147 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3bvx h LEU 147 CO -0.14 1.10 0.57 1.56 0.09 0.00 0.00 178.44 181.61 3bvx h GLN 148 N 0.98 1.08 -0.30 1.13 4.20 -0.84 -1.05 115.11 120.31 3bvx h GLN 148 Ca 0.18 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 3bvx h GLN 148 Cb 0.54 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3bvx h GLN 148 CO 0.03 0.71 -0.03 1.98 -0.67 0.00 0.00 178.83 180.85 3bvx h MET 149 N 1.11 0.56 -0.45 1.46 4.05 -0.30 -2.31 114.93 119.05 3bvx h MET 149 Ca 0.34 -0.20 0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3bvx h MET 149 Cb -0.02 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 3bvx h MET 149 CO -0.11 0.73 0.30 0.87 0.23 0.00 0.00 176.91 178.93 3bvx h LYS 150 N 0.34 0.59 -0.39 0.39 1.57 -0.70 -2.24 116.57 116.13 3bvx h LYS 150 Ca 0.08 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 3bvx h LYS 150 Cb 0.50 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3bvx h LYS 150 CO 0.02 0.39 -0.18 1.03 -0.57 0.00 0.00 179.45 180.14 3bvx h SER 151 N 0.60 0.83 1.10 0.86 0.87 -0.75 0.36 113.55 117.42 3bvx h SER 151 Ca 0.17 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3bvx h SER 151 Cb -0.05 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3bvx h SER 151 CO -0.04 1.04 0.00 0.16 -0.53 0.00 0.00 176.83 177.47 3bvx h ILE 152 N 0.61 0.00 0.03 2.23 3.07 -1.03 -0.37 117.51 122.05 3bvx h ILE 152 Ca 0.09 -0.51 -0.07 0.00 1.55 0.00 0.00 64.86 65.92 3bvx h ILE 152 Cb 0.73 1.46 0.01 0.00 -0.27 0.00 0.00 36.82 38.74 3bvx h ILE 152 CO 0.05 0.00 -0.29 0.58 -1.05 0.00 0.00 178.15 177.45 3bvx h VAL 153 N 0.00 1.63 -0.31 0.16 2.07 -1.20 -0.70 116.25 117.89 3bvx h VAL 153 Ca 0.00 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 3bvx h VAL 153 Cb 0.55 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 3bvx h VAL 153 CO 0.00 0.60 0.15 0.50 0.02 0.00 0.00 177.57 178.84 3bvx h LYS 154 N -0.65 0.43 -0.51 1.57 3.64 -0.63 -2.27 116.57 118.16 3bvx h LYS 154 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3bvx h LYS 154 Cb 1.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3bvx h LYS 154 CO 0.06 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 3bvx n ASN 155 N -4.44 3.10 0.00 4.20 3.02 -0.17 -4.92 115.26 116.05 3bvx n ASN 155 Ca 0.02 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3bvx n ASN 155 Cb 0.11 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 3bvx n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bvx n GLY 156 N 1.43 0.73 0.11 7.41 0.00 -0.85 -4.95 105.19 109.08 3bvx n GLY 156 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 3bvx n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bvx h GLN 157 N 2.73 0.27 -4.89 1.61 4.20 -1.41 -3.42 115.11 114.20 3bvx h GLN 157 Ca 0.00 -0.31 -0.65 0.00 0.06 0.00 0.00 58.65 57.74 3bvx h GLN 157 Cb 0.00 0.10 -0.21 0.00 0.30 0.00 0.00 27.48 27.67 3bvx h GLN 157 CO 0.00 1.04 -0.58 -1.17 -0.67 0.00 0.00 178.83 177.45 3bvx s LEU 158 N -8.34 3.77 -0.10 1.46 2.96 -0.57 -1.30 118.68 116.56 3bvx s LEU 158 Ca -0.15 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3bvx s LEU 158 Cb 0.02 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3bvx s LEU 158 CO 0.78 -0.08 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.80 3bvx s GLU 159 N 1.66 3.07 0.14 1.98 2.12 -0.34 -4.25 118.70 123.08 3bvx s GLU 159 Ca 0.06 -0.87 -0.29 0.00 0.36 0.00 0.00 54.97 54.24 3bvx s GLU 159 Cb -0.16 -2.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.84 3bvx s GLU 159 CO 0.06 0.18 0.91 -0.06 -0.54 0.00 0.00 175.26 175.81 3bvx s PHE 160 N 0.35 3.86 -0.10 5.30 0.40 -1.26 -1.12 117.98 125.41 3bvx s PHE 160 Ca -0.18 1.77 0.04 0.00 -0.60 0.00 0.00 56.93 57.96 3bvx s PHE 160 Cb -0.18 -2.97 -0.00 0.00 0.51 0.00 0.00 43.02 40.37 3bvx s PHE 160 CO 0.09 0.32 -0.23 0.14 0.70 0.00 0.00 175.22 176.23 3bvx s VAL 161 N -0.45 2.18 0.00 -0.44 -7.23 -0.11 -4.67 120.40 109.68 3bvx s VAL 161 Ca 0.43 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 3bvx s VAL 161 Cb -0.24 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.87 3bvx s VAL 161 CO 0.29 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.05 3bvx n THR 162 N 3.41 0.00 -0.83 5.32 -1.04 0.13 -4.23 114.28 117.04 3bvx n THR 162 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3bvx n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3bvx n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bvx n GLY 163 N 0.00 0.52 3.79 3.41 0.00 -1.26 -4.64 105.19 107.02 3bvx n GLY 163 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3bvx n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bvx s GLY 164 N -2.54 1.64 0.38 -0.02 0.00 -1.26 -1.91 107.32 103.61 3bvx s GLY 164 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.76 3bvx s GLY 164 CO 0.00 0.34 1.94 -0.25 0.00 0.00 0.00 173.10 175.13 3bvx h TRP 165 N -1.06 0.69 -4.54 1.90 -0.00 -1.42 -0.94 115.95 110.58 3bvx h TRP 165 Ca -0.46 0.02 -0.50 0.00 -0.00 0.00 0.00 58.89 57.94 3bvx h TRP 165 Cb 1.25 -0.22 -0.13 0.00 -0.00 0.00 0.00 29.16 30.06 3bvx h TRP 165 CO 0.51 0.33 -0.48 0.14 -0.00 0.00 0.00 178.44 178.94 3bvx s VAL 166 N -5.60 0.08 -0.58 2.65 -7.23 -1.26 -1.13 120.40 107.33 3bvx s VAL 166 Ca -0.09 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 57.96 3bvx s VAL 166 Cb 0.20 -2.46 0.15 0.00 0.56 0.00 0.00 36.38 34.83 3bvx s VAL 166 CO 0.77 0.00 0.49 -0.32 -0.31 0.00 0.00 175.10 175.73 3bvx s MET 167 N -3.44 2.88 0.59 4.82 -2.45 -1.26 -4.87 119.30 115.58 3bvx s MET 167 Ca 0.38 -1.95 -0.15 0.00 -1.25 0.00 0.00 55.69 52.72 3bvx s MET 167 Cb 0.02 -4.14 -0.04 0.00 1.25 0.00 0.00 34.83 31.92 3bvx s MET 167 CO 0.27 -1.26 1.04 -1.25 1.05 0.00 0.00 175.02 174.87 3bvx s PRO 168 N 1.09 3.41 0.49 4.11 0.04 -1.26 -3.00 135.00 139.87 3bvx s PRO 168 Ca 0.08 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 3bvx s PRO 168 Cb -0.24 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 3bvx s PRO 168 CO -0.01 -0.73 0.85 -3.47 0.04 0.00 0.00 177.00 173.68 3bvx n ASP 169 N -2.13 0.47 -0.10 6.66 2.03 0.08 -4.61 116.55 118.95 3bvx n ASP 169 Ca 0.08 0.91 0.05 0.00 0.52 0.00 0.00 54.79 56.35 3bvx n ASP 169 Cb 0.53 -1.30 -0.03 0.00 -0.72 0.00 0.00 41.12 39.60 3bvx n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3bvx n GLU 170 N -0.09 3.15 -0.11 -0.67 1.02 -1.26 -4.42 120.64 118.25 3bvx n GLU 170 Ca 0.11 -0.26 -0.22 0.00 -0.02 0.00 0.00 57.16 56.77 3bvx n GLU 170 Cb 0.42 -1.00 -0.11 0.00 -0.02 0.00 0.00 31.44 30.74 3bvx n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bvx n ALA 171 N -0.80 0.83 0.18 0.62 0.00 -1.26 -4.56 120.51 115.51 3bvx n ALA 171 Ca 0.03 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 53.00 3bvx n ALA 171 Cb 0.17 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 3bvx n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bvx n ASN 172 N -4.41 0.45 -4.77 0.00 3.02 -1.26 -4.53 115.26 103.76 3bvx n ASN 172 Ca -0.34 0.04 -0.40 0.00 -0.03 0.00 0.00 54.58 53.85 3bvx n ASN 172 Cb 0.69 1.18 -0.03 0.00 -0.61 0.00 0.00 39.78 41.02 3bvx n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3bvx s SER 173 N -4.64 6.86 0.28 6.41 1.04 -1.26 -4.76 113.70 117.64 3bvx s SER 173 Ca -0.02 2.49 -0.25 0.00 0.48 0.00 0.00 55.95 58.65 3bvx s SER 173 Cb 0.13 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 3bvx s SER 173 CO 0.84 -0.45 0.88 -2.28 0.98 0.00 0.00 173.24 173.21 3bvx s HIS 174 N -1.21 3.72 0.44 5.02 2.46 -1.26 -4.19 115.29 120.27 3bvx s HIS 174 Ca 0.49 1.69 0.13 0.00 0.47 0.00 0.00 55.06 57.85 3bvx s HIS 174 Cb -0.35 -2.84 1.04 0.00 -0.13 0.00 0.00 32.58 30.29 3bvx s HIS 174 CO 0.46 0.28 2.01 0.11 -2.47 0.00 0.00 174.74 175.13 3bvx h TRP 175 N 3.37 0.39 -0.70 3.88 5.08 -1.14 0.49 115.95 127.32 3bvx h TRP 175 Ca -0.47 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.51 3bvx h TRP 175 Cb 1.19 -0.13 -0.03 0.00 -3.00 0.00 0.00 29.16 27.19 3bvx h TRP 175 CO 0.62 0.20 0.41 0.00 -1.28 0.00 0.00 178.44 178.40 3bvx h ARG 176 N 0.38 0.94 0.00 0.12 3.08 -1.92 -0.71 114.38 116.27 3bvx h ARG 176 Ca 0.23 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 3bvx h ARG 176 Cb 0.41 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3bvx h ARG 176 CO -0.06 0.66 -1.02 -0.91 -1.07 0.00 0.00 179.97 177.58 3bvx h ASN 177 N 0.96 0.00 -0.45 7.04 2.35 -1.34 -0.47 115.58 123.66 3bvx h ASN 177 Ca 0.25 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3bvx h ASN 177 Cb -0.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3bvx h ASN 177 CO -0.05 0.98 0.29 0.58 -1.65 0.00 0.00 177.43 177.58 3bvx h VAL 178 N 0.00 1.09 -0.68 2.81 2.07 -0.86 -1.13 116.25 119.55 3bvx h VAL 178 Ca -0.02 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3bvx h VAL 178 Cb 1.77 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3bvx h VAL 178 CO 0.13 0.11 0.14 0.25 0.02 0.00 0.00 177.57 178.21 3bvx h LEU 179 N 0.58 1.04 -0.32 2.57 5.85 -1.09 -1.61 115.31 122.32 3bvx h LEU 179 Ca 0.17 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3bvx h LEU 179 Cb -0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3bvx h LEU 179 CO -0.06 1.02 0.17 0.25 -0.34 0.00 0.00 178.44 179.48 3bvx h LEU 180 N 1.03 0.25 -0.55 2.25 5.85 -0.78 0.75 115.31 124.12 3bvx h LEU 180 Ca 0.21 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 3bvx h LEU 180 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3bvx h LEU 180 CO 0.01 0.19 -0.59 0.06 -0.34 0.00 0.00 178.44 177.76 3bvx h GLN 181 N 0.35 0.43 -0.46 1.25 -0.00 -1.12 -0.09 115.11 115.47 3bvx h GLN 181 Ca 0.13 -0.29 -0.00 0.00 -0.00 0.00 0.00 58.65 58.49 3bvx h GLN 181 Cb 0.04 0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.54 3bvx h GLN 181 CO -0.09 0.90 0.27 1.25 -0.00 0.00 0.00 178.83 181.16 3bvx h LEU 182 N 0.32 0.56 -0.81 0.06 5.85 -1.02 -0.68 115.31 119.60 3bvx h LEU 182 Ca -0.00 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3bvx h LEU 182 Cb 1.13 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3bvx h LEU 182 CO 0.10 0.47 -0.03 0.74 -0.34 0.00 0.00 178.44 179.38 3bvx h THR 183 N 0.61 1.25 -0.32 1.05 2.02 -0.54 0.18 112.91 117.17 3bvx h THR 183 Ca 0.16 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 3bvx h THR 183 Cb 0.02 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3bvx h THR 183 CO -0.03 0.39 0.11 -0.08 0.37 0.00 0.00 175.52 176.28 3bvx h GLU 184 N 0.80 0.49 -0.31 6.66 4.57 -0.76 0.11 114.58 126.13 3bvx h GLU 184 Ca 0.15 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 3bvx h GLU 184 Cb 0.52 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3bvx h GLU 184 CO 0.03 0.52 -0.28 0.78 -1.18 0.00 0.00 179.01 178.87 3bvx h GLY 185 N 0.36 0.80 2.00 1.92 0.00 -1.23 -2.84 103.07 104.09 3bvx h GLY 185 Ca 0.10 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.48 3bvx h GLY 185 CO -0.01 0.73 -0.68 1.46 0.00 0.00 0.00 176.54 178.04 3bvx h GLN 186 N 0.50 0.00 -0.61 4.80 4.20 -0.25 -0.71 115.11 123.05 3bvx h GLN 186 Ca 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3bvx h GLN 186 Cb 0.85 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3bvx h GLN 186 CO 0.07 0.68 0.10 1.15 -0.67 0.00 0.00 178.83 180.16 3bvx h THR 187 N 0.00 1.26 -0.03 -0.54 2.02 -0.81 0.41 112.91 115.22 3bvx h THR 187 Ca -0.01 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3bvx h THR 187 Cb 1.23 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3bvx h THR 187 CO 0.09 0.37 0.02 -0.25 0.37 0.00 0.00 175.52 176.12 3bvx h TRP 188 N 0.91 0.04 -0.86 3.16 7.01 -1.23 -1.68 115.95 123.30 3bvx h TRP 188 Ca 0.18 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3bvx h TRP 188 Cb 0.43 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 3bvx h TRP 188 CO 0.03 0.05 0.49 -0.07 -2.79 0.00 0.00 178.44 176.15 3bvx h LEU 189 N 0.02 1.05 -0.54 0.65 3.38 -0.88 0.17 115.31 119.17 3bvx h LEU 189 Ca 0.01 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3bvx h LEU 189 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3bvx h LEU 189 CO -0.00 0.83 -0.15 0.50 0.09 0.00 0.00 178.44 179.71 3bvx h LYS 190 N 1.19 1.02 -0.19 1.13 1.63 -0.70 0.14 116.57 120.79 3bvx h LYS 190 Ca 0.30 -0.40 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 3bvx h LYS 190 Cb -0.00 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3bvx h LYS 190 CO -0.05 1.09 -0.07 0.37 -3.45 0.00 0.00 179.45 177.33 3bvx h GLN 191 N 0.89 0.39 0.00 1.90 4.15 -0.87 -2.88 115.11 118.69 3bvx h GLN 191 Ca 0.13 -0.16 -0.36 0.00 0.77 0.00 0.00 58.65 59.02 3bvx h GLN 191 Cb 0.73 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.33 3bvx h GLN 191 CO 0.06 0.67 -2.33 1.19 -1.93 0.00 0.00 178.83 176.49 3bvx n PHE 192 N -4.60 0.10 0.14 3.99 3.01 0.01 -4.55 117.46 115.56 3bvx n PHE 192 Ca -0.05 0.04 0.02 0.00 1.01 0.00 0.00 57.45 58.46 3bvx n PHE 192 Cb 0.30 -1.02 0.01 0.00 -0.01 0.00 0.00 39.48 38.76 3bvx n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3bvx n MET 193 N -2.81 1.05 -3.79 -1.08 2.81 0.31 -5.01 117.12 108.60 3bvx n MET 193 Ca -0.32 -0.52 -0.26 0.00 -1.81 0.00 0.00 57.70 54.79 3bvx n MET 193 Cb 1.14 -0.96 0.03 0.00 -0.71 0.00 0.00 33.22 32.73 3bvx n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3bvx n ASN 194 N -0.12 -3.26 -3.95 7.83 5.15 -0.18 -4.89 115.26 115.85 3bvx n ASN 194 Ca 0.02 -0.78 -0.10 0.00 -0.60 0.00 0.00 54.58 53.12 3bvx n ASN 194 Cb 0.07 -4.05 -0.10 0.00 -0.53 0.00 0.00 39.78 35.17 3bvx n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3bvx s VAL 195 N -3.47 0.12 -0.23 3.44 -7.23 -1.18 -4.99 120.40 106.86 3bvx s VAL 195 Ca 0.36 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.56 3bvx s VAL 195 Cb -0.18 -0.53 0.07 0.00 0.56 0.00 0.00 36.38 36.30 3bvx s VAL 195 CO 0.81 -0.52 0.04 -0.89 -0.31 0.00 0.00 175.10 174.23 3bvx s THR 196 N -1.85 0.74 0.51 5.32 2.01 -1.26 -3.39 115.64 117.71 3bvx s THR 196 Ca -0.12 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 3bvx s THR 196 Cb -0.06 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 3bvx s THR 196 CO -0.02 -0.32 1.35 -2.65 -0.69 0.00 0.00 174.62 172.29 3bvx n PRO 197 N 4.95 1.83 0.00 4.92 -0.02 -1.26 -4.92 135.00 140.50 3bvx n PRO 197 Ca -0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3bvx n PRO 197 Cb 0.45 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3bvx n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3bvx n THR 198 N -0.74 0.31 -5.20 3.45 -2.24 -1.26 -4.76 114.28 103.84 3bvx n THR 198 Ca 0.09 -0.62 -0.32 0.00 -2.27 0.00 0.00 64.05 60.93 3bvx n THR 198 Cb 0.43 0.90 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 3bvx n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bvx s ALA 199 N -0.31 2.24 0.01 6.98 0.00 -1.26 -0.55 121.76 128.87 3bvx s ALA 199 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3bvx s ALA 199 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3bvx s ALA 199 CO 0.00 0.42 0.05 0.45 0.00 0.00 0.00 175.76 176.68 3bvx s SER 200 N -0.18 5.45 -0.20 0.00 0.15 -0.35 -0.69 113.70 117.88 3bvx s SER 200 Ca -0.03 0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 3bvx s SER 200 Cb -0.14 -1.50 0.05 0.00 -1.71 0.00 0.00 66.02 62.73 3bvx s SER 200 CO 0.03 0.26 -0.04 0.86 1.20 0.00 0.00 173.24 175.55 3bvx s TRP 201 N -1.19 1.89 -0.51 3.44 -0.11 -1.26 -0.62 118.94 120.58 3bvx s TRP 201 Ca 0.23 -1.33 0.05 0.00 1.22 0.00 0.00 56.10 56.27 3bvx s TRP 201 Cb -0.12 -1.38 0.19 0.00 -1.50 0.00 0.00 33.47 30.66 3bvx s TRP 201 CO 0.14 -0.68 0.44 0.00 -4.62 0.00 0.00 176.95 172.22 3bvx n ALA 202 N 4.82 3.05 0.61 5.86 0.00 -0.39 -4.84 120.51 129.62 3bvx n ALA 202 Ca -0.12 -3.67 0.12 0.00 0.00 0.00 0.00 53.44 49.78 3bvx n ALA 202 Cb 0.46 -0.85 0.27 0.00 0.00 0.00 0.00 19.45 19.33 3bvx n ALA 202 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3bvx n ILE 203 N 2.26 0.44 0.00 0.00 -5.35 -1.26 -3.16 119.36 112.29 3bvx n ILE 203 Ca 0.26 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3bvx n ILE 203 Cb 0.44 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 3bvx n ILE 203 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bvx n ALA 204 N -1.80 1.86 -1.42 -1.28 0.00 -1.26 -4.36 120.51 112.25 3bvx n ALA 204 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 3bvx n ALA 204 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.98 3bvx n ALA 204 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3bvx n PRO 205 N -1.32 0.64 -2.79 0.00 -0.02 -1.26 -4.85 135.00 125.40 3bvx n PRO 205 Ca 0.00 0.28 -0.44 0.00 -2.02 0.00 0.00 63.50 61.33 3bvx n PRO 205 Cb 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 3bvx n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3bvx n PHE 206 N -2.58 4.10 0.00 6.00 3.72 -1.26 -4.38 117.46 123.06 3bvx n PHE 206 Ca 0.15 -3.16 0.00 0.00 -0.05 0.00 0.00 57.45 54.38 3bvx n PHE 206 Cb 0.49 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 3bvx n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bvx n GLY 207 N 3.27 1.95 3.02 1.37 0.00 -0.93 -4.57 105.19 109.30 3bvx n GLY 207 Ca 0.36 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 3bvx n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bvx s HIS 208 N -2.88 0.62 -0.00 1.61 3.76 -1.08 -4.63 115.29 112.69 3bvx s HIS 208 Ca 0.00 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 3bvx s HIS 208 Cb 0.00 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 3bvx s HIS 208 CO 0.00 -0.04 -0.15 0.45 -0.85 0.00 0.00 174.74 174.14 3bvx s SER 209 N -0.92 3.99 0.00 1.40 0.15 -1.26 -0.94 113.70 116.11 3bvx s SER 209 Ca -0.04 -0.29 0.18 0.00 0.70 0.00 0.00 55.95 56.50 3bvx s SER 209 Cb -0.06 -0.77 0.92 0.00 -1.71 0.00 0.00 66.02 64.40 3bvx s SER 209 CO 0.00 0.30 1.55 -0.81 1.20 0.00 0.00 173.24 175.48 3bvx n PRO 210 N 1.89 0.26 0.16 5.44 -0.04 -1.26 -1.94 135.00 139.51 3bvx n PRO 210 Ca -0.16 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 3bvx n PRO 210 Cb 0.52 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 3bvx n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3bvx h THR 211 N 0.00 1.05 0.40 0.52 2.02 -1.95 -2.28 112.91 112.67 3bvx h THR 211 Ca 0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3bvx h THR 211 Cb 0.17 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3bvx h THR 211 CO 0.00 0.05 -0.19 0.24 0.37 0.00 0.00 175.52 175.99 3bvx h MET 212 N 0.21 -0.52 -0.30 6.66 2.86 -1.80 -1.34 114.93 120.69 3bvx h MET 212 Ca 0.06 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3bvx h MET 212 Cb 0.00 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3bvx h MET 212 CO -0.01 -0.24 0.21 -1.00 1.06 0.00 0.00 176.91 176.93 3bvx h PRO 213 N -0.77 0.27 0.19 -0.22 0.13 -1.74 0.97 132.00 130.83 3bvx h PRO 213 Ca -0.06 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3bvx h PRO 213 Cb 0.53 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 3bvx h PRO 213 CO 0.09 0.18 -0.26 -0.92 -0.23 0.00 0.00 178.00 176.86 3bvx h TYR 214 N 0.28 -0.71 -0.21 1.56 3.20 -1.15 0.99 116.97 120.94 3bvx h TYR 214 Ca 0.13 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3bvx h TYR 214 Cb 0.16 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 3bvx h TYR 214 CO -0.00 -0.38 -0.15 0.82 -1.64 0.00 0.00 178.16 176.82 3bvx h ILE 215 N -0.52 1.32 -0.63 1.81 2.04 -0.74 -3.05 117.51 117.73 3bvx h ILE 215 Ca 0.01 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3bvx h ILE 215 Cb 0.51 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3bvx h ILE 215 CO -0.10 0.38 0.25 -0.07 0.00 0.00 0.00 178.15 178.61 3bvx h LEU 216 N 0.16 0.87 -1.43 1.44 3.38 -0.74 -2.10 115.31 116.89 3bvx h LEU 216 Ca 0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3bvx h LEU 216 Cb 0.66 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3bvx h LEU 216 CO 0.04 0.81 -0.19 -0.61 0.09 0.00 0.00 178.44 178.58 3bvx h GLN 217 N 0.88 0.14 -0.07 1.13 -0.00 -0.85 0.11 115.11 116.46 3bvx h GLN 217 Ca 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 3bvx h GLN 217 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.68 3bvx h GLN 217 CO -0.02 0.33 0.00 1.63 0.00 0.00 0.00 178.83 180.77 3bvx n LYS 218 N -4.26 1.30 -0.27 1.69 5.02 -0.93 -3.59 118.16 117.13 3bvx n LYS 218 Ca -0.01 -0.45 0.08 0.00 -2.02 0.00 0.00 58.31 55.90 3bvx n LYS 218 Cb 0.29 -1.34 0.14 0.00 -0.02 0.00 0.00 35.03 34.10 3bvx n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3bvx n SER 219 N -0.33 1.95 0.00 4.39 7.64 -0.08 -1.75 113.62 125.44 3bvx n SER 219 Ca 0.15 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.89 3bvx n SER 219 Cb 0.17 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3bvx n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bvx n GLY 220 N -1.18 1.00 3.80 0.23 0.00 -1.11 -4.90 105.19 103.04 3bvx n GLY 220 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3bvx n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bvx s PHE 221 N -2.61 2.95 -0.00 1.61 0.40 -0.55 -4.81 117.98 114.97 3bvx s PHE 221 Ca 0.00 1.52 0.01 0.00 -0.60 0.00 0.00 56.93 57.85 3bvx s PHE 221 Cb 0.00 -3.03 -0.01 0.00 0.51 0.00 0.00 43.02 40.49 3bvx s PHE 221 CO 0.00 -1.17 0.01 1.63 0.70 0.00 0.00 175.22 176.40 3bvx n LYS 222 N -2.01 0.50 -3.72 0.44 4.76 0.29 -4.56 118.16 113.86 3bvx n LYS 222 Ca 0.09 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 3bvx n LYS 222 Cb 0.53 -0.98 -0.08 0.00 -1.84 0.00 0.00 35.03 32.66 3bvx n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3bvx s ASN 223 N -1.99 -0.24 0.06 4.39 0.01 -1.02 -3.89 114.94 112.26 3bvx s ASN 223 Ca -0.00 0.06 -0.09 0.00 -0.71 0.00 0.00 52.86 52.12 3bvx s ASN 223 Cb 0.00 0.37 -0.00 0.00 0.41 0.00 0.00 41.25 42.03 3bvx s ASN 223 CO 0.02 -0.55 0.18 0.00 -1.51 0.00 0.00 177.10 175.25 3bvx s MET 224 N -1.83 0.76 -0.02 -0.60 0.23 0.05 -1.21 119.30 116.68 3bvx s MET 224 Ca -0.10 -0.81 0.04 0.00 -1.03 0.00 0.00 55.69 53.80 3bvx s MET 224 Cb -0.03 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.57 3bvx s MET 224 CO 0.02 -0.23 -0.15 -1.17 -2.03 0.00 0.00 175.02 171.46 3bvx s LEU 225 N -2.49 1.99 0.20 0.18 0.20 0.21 -0.63 118.68 118.35 3bvx s LEU 225 Ca 0.00 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.59 3bvx s LEU 225 Cb 0.02 -0.77 -0.05 0.00 -0.43 0.00 0.00 46.19 44.96 3bvx s LEU 225 CO -0.08 0.17 -0.03 0.27 -0.29 0.00 0.00 176.35 176.39 3bvx s ILE 226 N -0.26 1.04 0.00 6.68 -4.36 -0.24 -1.26 121.20 122.80 3bvx s ILE 226 Ca 0.04 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3bvx s ILE 226 Cb -0.07 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.47 3bvx s ILE 226 CO -0.00 -0.46 0.00 1.67 0.24 0.00 0.00 174.94 176.38 3bvx n GLN 227 N -0.33 0.00 -2.90 0.37 -0.06 -1.19 -1.33 117.38 111.94 3bvx n GLN 227 Ca -0.07 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.50 3bvx n GLN 227 Cb 0.63 -0.22 -0.02 0.00 -4.06 0.00 0.00 30.24 26.57 3bvx n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3bvx s ARG 228 N -1.60 3.79 0.18 3.69 0.52 -1.26 -4.74 118.95 119.52 3bvx s ARG 228 Ca 0.00 -2.02 0.08 0.00 -0.52 0.00 0.00 55.73 53.28 3bvx s ARG 228 Cb 0.00 -5.02 -0.04 0.00 0.52 0.00 0.00 34.95 30.41 3bvx s ARG 228 CO 0.00 -1.82 -0.18 0.95 0.02 0.00 0.00 175.30 174.28 3bvx s THR 229 N 2.50 1.83 0.22 0.02 -4.23 -1.26 -2.18 115.64 112.53 3bvx s THR 229 Ca 0.38 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.58 3bvx s THR 229 Cb -0.03 -1.90 -0.15 0.00 1.34 0.00 0.00 72.50 71.76 3bvx s THR 229 CO -0.05 -0.38 1.24 1.57 -0.54 0.00 0.00 174.62 176.46 3bvx n HIS 230 N 0.12 1.64 0.17 3.99 -0.00 -1.26 -4.75 115.22 115.12 3bvx n HIS 230 Ca -0.12 0.59 0.09 0.00 0.46 0.00 0.00 57.72 58.74 3bvx n HIS 230 Cb 0.58 -2.35 0.61 0.00 -0.12 0.00 0.00 29.99 28.71 3bvx n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3bvx h TYR 231 N 3.48 0.10 -0.25 1.57 -0.00 -1.80 -0.24 116.97 119.82 3bvx h TYR 231 Ca -0.43 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.18 3bvx h TYR 231 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 38.00 3bvx h TYR 231 CO 0.54 0.06 -0.35 0.77 -0.00 0.00 0.00 178.16 179.18 3bvx h SER 232 N 0.10 0.58 -0.45 0.10 0.02 -1.88 -2.10 113.55 109.92 3bvx h SER 232 Ca 0.07 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 3bvx h SER 232 Cb 0.17 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3bvx h SER 232 CO -0.01 0.89 0.00 0.58 -1.14 0.00 0.00 176.83 177.15 3bvx h VAL 233 N 0.47 1.26 -0.70 2.27 2.07 -1.43 -1.45 116.25 118.75 3bvx h VAL 233 Ca 0.05 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3bvx h VAL 233 Cb 0.83 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3bvx h VAL 233 CO 0.07 0.36 0.44 0.11 0.02 0.00 0.00 177.57 178.57 3bvx h LYS 234 N 0.64 0.85 -0.28 1.57 1.57 -1.15 0.38 116.57 120.16 3bvx h LYS 234 Ca 0.13 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3bvx h LYS 234 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3bvx h LYS 234 CO 0.02 0.56 0.08 -0.22 -0.57 0.00 0.00 179.45 179.33 3bvx h LYS 235 N 0.88 0.44 -0.09 3.15 3.64 -1.22 0.92 116.57 124.28 3bvx h LYS 235 Ca 0.27 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3bvx h LYS 235 Cb -0.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3bvx h LYS 235 CO -0.09 0.52 0.05 1.49 -2.27 0.00 0.00 179.45 179.15 3bvx h GLU 236 N 0.29 0.13 -0.23 1.90 4.57 -0.93 -1.40 114.58 118.91 3bvx h GLU 236 Ca 0.09 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 3bvx h GLU 236 Cb 0.27 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3bvx h GLU 236 CO -0.00 0.17 -0.45 -0.07 -1.18 0.00 0.00 179.01 177.48 3bvx h LEU 237 N 0.06 0.61 -1.15 1.64 3.38 -0.86 -2.80 115.31 116.19 3bvx h LEU 237 Ca 0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3bvx h LEU 237 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3bvx h LEU 237 CO -0.01 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.70 3bvx h ALA 238 N 1.05 1.33 0.00 1.53 0.00 -0.59 0.11 119.26 122.69 3bvx h ALA 238 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3bvx h ALA 238 Cb 0.97 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3bvx h ALA 238 CO 0.09 0.50 -0.22 1.96 0.00 0.00 0.00 179.25 181.57 3bvx h GLN 239 N 0.78 0.00 -0.33 0.00 4.20 -1.00 -2.17 115.11 116.60 3bvx h GLN 239 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3bvx h GLN 239 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3bvx h GLN 239 CO -0.01 0.22 0.00 1.04 -0.67 0.00 0.00 178.83 179.41 3bvx n GLN 240 N -4.04 2.49 -3.94 1.46 1.13 -0.87 -4.96 117.38 108.66 3bvx n GLN 240 Ca -0.02 -2.24 -0.25 0.00 -1.94 0.00 0.00 57.00 52.54 3bvx n GLN 240 Cb 0.29 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.12 3bvx n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3bvx n ARG 241 N 1.49 -3.52 -0.69 -1.09 1.74 -0.53 -4.90 116.66 109.17 3bvx n ARG 241 Ca 0.19 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 3bvx n ARG 241 Cb 0.61 -4.65 0.20 0.00 -1.02 0.00 0.00 32.46 27.61 3bvx n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3bvx n GLN 242 N -4.39 1.83 0.08 5.56 6.02 0.27 -4.61 117.38 122.14 3bvx n GLN 242 Ca -0.29 -3.16 0.13 0.00 -0.01 0.00 0.00 57.00 53.68 3bvx n GLN 242 Cb 0.67 -1.75 0.43 0.00 1.02 0.00 0.00 30.24 30.61 3bvx n GLN 242 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3bvx n LEU 243 N -1.10 0.64 -4.35 1.08 4.77 -1.26 -4.58 117.00 112.21 3bvx n LEU 243 Ca 0.28 0.53 -0.33 0.00 -0.03 0.00 0.00 56.01 56.46 3bvx n LEU 243 Cb 0.92 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 3bvx n LEU 243 CO 0.12 -0.13 -0.46 -1.61 -1.33 0.00 0.00 177.39 173.98 3bvx s GLU 244 N -3.08 3.34 0.15 3.23 2.02 -1.26 -0.26 118.70 122.83 3bvx s GLU 244 Ca 0.11 -0.71 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 3bvx s GLU 244 Cb 0.14 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.81 3bvx s GLU 244 CO 0.59 0.20 0.44 -0.59 0.02 0.00 0.00 175.26 175.92 3bvx s PHE 245 N 0.38 -0.20 -0.52 1.61 -0.12 -0.33 -4.23 117.98 114.57 3bvx s PHE 245 Ca -0.11 -0.12 -0.20 0.00 -0.05 0.00 0.00 56.93 56.45 3bvx s PHE 245 Cb -0.16 0.31 0.06 0.00 -0.63 0.00 0.00 43.02 42.60 3bvx s PHE 245 CO 0.06 -0.76 0.68 -0.51 -0.05 0.00 0.00 175.22 174.63 3bvx s LEU 246 N -2.82 4.90 -0.41 -1.99 1.43 0.10 -0.25 118.68 119.63 3bvx s LEU 246 Ca 0.05 -0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 52.02 3bvx s LEU 246 Cb 0.01 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.78 3bvx s LEU 246 CO -0.10 -0.97 0.70 0.86 0.23 0.00 0.00 176.35 177.07 3bvx s TRP 247 N 2.82 3.07 0.34 0.29 -0.11 -0.23 -1.33 118.94 123.78 3bvx s TRP 247 Ca 0.17 0.17 0.08 0.00 1.22 0.00 0.00 56.10 57.73 3bvx s TRP 247 Cb -0.19 -3.40 -0.04 0.00 -1.50 0.00 0.00 33.47 28.35 3bvx s TRP 247 CO 0.12 -0.83 0.19 -0.98 -4.62 0.00 0.00 176.95 170.83 3bvx s ARG 248 N 2.96 2.49 0.59 5.86 1.70 -0.24 -1.47 118.95 130.85 3bvx s ARG 248 Ca 0.26 -1.45 -0.17 0.00 -0.47 0.00 0.00 55.73 53.89 3bvx s ARG 248 Cb -0.13 -2.28 -0.04 0.00 -0.57 0.00 0.00 34.95 31.93 3bvx s ARG 248 CO 0.19 0.12 1.10 -0.65 -1.08 0.00 0.00 175.30 174.98 3bvx s GLN 249 N -3.89 3.20 0.54 3.89 -1.52 -1.26 -4.32 119.66 116.29 3bvx s GLN 249 Ca 0.38 1.43 0.27 0.00 -1.95 0.00 0.00 55.36 55.50 3bvx s GLN 249 Cb -0.04 -2.00 1.52 0.00 -0.22 0.00 0.00 33.01 32.27 3bvx s GLN 249 CO 0.24 -0.94 2.11 -0.84 -0.25 0.00 0.00 175.29 175.61 3bvx h ILE 250 N 0.68 0.58 -0.05 1.08 3.07 -1.94 -1.13 117.51 119.80 3bvx h ILE 250 Ca -0.48 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.52 3bvx h ILE 250 Cb 1.24 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 3bvx h ILE 250 CO 0.56 0.09 0.00 -2.67 -1.05 0.00 0.00 178.15 175.08 3bvx n TRP 251 N -3.72 0.04 -3.08 0.16 2.14 -1.26 -4.63 117.44 107.09 3bvx n TRP 251 Ca -0.02 -0.02 -0.44 0.00 2.07 0.00 0.00 57.50 59.09 3bvx n TRP 251 Cb 0.20 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.65 3bvx n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3bvx s ASP 252 N -1.95 6.23 0.17 -0.67 2.15 -0.43 -4.71 116.67 117.46 3bvx s ASP 252 Ca 0.33 -0.96 -0.02 0.00 0.43 0.00 0.00 52.55 52.33 3bvx s ASP 252 Cb 0.20 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 40.54 3bvx s ASP 252 CO 0.31 -1.03 1.42 0.78 -0.17 0.00 0.00 175.17 176.48 3bvx h ASN 253 N 9.13 0.49 0.22 -0.34 2.35 -1.88 -3.31 115.58 122.23 3bvx h ASN 253 Ca -0.28 -0.33 -0.32 0.00 -0.55 0.00 0.00 56.30 54.83 3bvx h ASN 253 Cb 1.09 -0.14 0.03 0.00 0.05 0.00 0.00 38.32 39.35 3bvx h ASN 253 CO 1.03 1.07 -1.36 0.50 -1.65 0.00 0.00 177.43 177.02 3bvx h LYS 254 N 0.27 0.57 0.00 0.81 3.64 -1.98 -3.44 116.57 116.44 3bvx h LYS 254 Ca -0.04 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.48 3bvx h LYS 254 Cb 1.33 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3bvx h LYS 254 CO 0.13 1.40 0.00 0.41 -2.27 0.00 0.00 179.45 179.12 3bvx n GLY 255 N 1.54 1.09 0.17 5.01 0.00 -1.25 -5.00 105.19 106.75 3bvx n GLY 255 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3bvx n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bvx h ASP 256 N 0.00 0.00 0.49 1.61 3.32 -1.94 -1.46 116.42 118.44 3bvx h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bvx h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3bvx h ASP 256 CO 0.00 0.00 -0.10 0.35 -1.72 0.00 0.00 179.24 177.77 3bvx n THR 257 N -2.43 0.00 -1.88 0.35 -2.24 -1.26 -4.96 114.28 101.85 3bvx n THR 257 Ca 0.02 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 3bvx n THR 257 Cb 0.23 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3bvx n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bvx s ALA 258 N -2.60 3.40 -0.05 6.98 0.00 -0.55 -4.71 121.76 124.23 3bvx s ALA 258 Ca 0.26 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.67 3bvx s ALA 258 Cb 0.20 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3bvx s ALA 258 CO 0.49 -1.01 -0.05 -1.17 0.00 0.00 0.00 175.76 174.02 3bvx s LEU 259 N -2.32 1.33 0.19 0.00 2.96 -0.54 -4.88 118.68 115.43 3bvx s LEU 259 Ca 0.56 -0.15 -0.32 0.00 -0.22 0.00 0.00 54.13 54.00 3bvx s LEU 259 Cb -0.43 -0.51 -0.11 0.00 0.50 0.00 0.00 46.19 45.64 3bvx s LEU 259 CO 0.57 -0.05 1.63 0.12 -1.32 0.00 0.00 176.35 177.31 3bvx s PHE 260 N 0.96 2.98 -0.03 5.38 5.36 -1.25 -1.07 117.98 130.30 3bvx s PHE 260 Ca -0.10 0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.42 3bvx s PHE 260 Cb -0.14 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 3bvx s PHE 260 CO 0.00 -3.81 -0.11 0.99 -1.46 0.00 0.00 175.22 170.83 3bvx s THR 261 N 1.07 0.98 -0.22 0.12 2.01 0.65 -0.77 115.64 119.48 3bvx s THR 261 Ca 0.71 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 3bvx s THR 261 Cb -0.47 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3bvx s THR 261 CO 0.33 0.30 0.01 -2.28 -0.69 0.00 0.00 174.62 172.28 3bvx s HIS 262 N 0.21 3.03 -0.22 4.92 2.46 0.20 -1.19 115.29 124.71 3bvx s HIS 262 Ca -0.05 -0.55 -0.11 0.00 0.47 0.00 0.00 55.06 54.83 3bvx s HIS 262 Cb -0.10 -2.13 -0.05 0.00 -0.13 0.00 0.00 32.58 30.17 3bvx s HIS 262 CO 0.01 -0.34 0.16 1.41 -2.47 0.00 0.00 174.74 173.52 3bvx s MET 263 N 1.26 4.12 0.45 2.88 1.75 0.64 -1.08 119.30 129.32 3bvx s MET 263 Ca 0.04 -0.22 -0.21 0.00 -1.25 0.00 0.00 55.69 54.04 3bvx s MET 263 Cb -0.15 -3.49 -0.09 0.00 2.84 0.00 0.00 34.83 33.94 3bvx s MET 263 CO 0.01 0.15 1.01 -1.64 -0.65 0.00 0.00 175.02 173.90 3bvx s MET 264 N 0.79 4.03 0.06 4.11 -1.94 -0.45 -4.79 119.30 121.12 3bvx s MET 264 Ca 0.08 1.30 0.23 0.00 -1.71 0.00 0.00 55.69 55.60 3bvx s MET 264 Cb -0.13 -2.21 0.18 0.00 2.01 0.00 0.00 34.83 34.68 3bvx s MET 264 CO 0.02 -0.23 1.15 -0.35 -0.01 0.00 0.00 175.02 175.61 3bvx n PRO 265 N -0.67 0.25 -3.02 2.03 -0.04 -1.26 -4.84 135.00 127.45 3bvx n PRO 265 Ca 0.08 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 3bvx n PRO 265 Cb 0.53 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 3bvx n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bvx n PHE 266 N -1.95 -0.42 0.14 0.54 0.99 -1.26 -4.82 117.46 110.67 3bvx n PHE 266 Ca 0.03 -1.31 -0.00 0.00 -0.00 0.00 0.00 57.45 56.17 3bvx n PHE 266 Cb 0.42 -0.22 0.18 0.00 -1.00 0.00 0.00 39.48 38.86 3bvx n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3bvx h TYR 267 N 0.78 0.00 -4.36 1.38 3.20 -1.94 -3.46 116.97 112.58 3bvx h TYR 267 Ca -0.20 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.49 3bvx h TYR 267 Cb 0.70 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.82 3bvx h TYR 267 CO 0.00 0.59 -0.59 0.45 -1.64 0.00 0.00 178.16 176.98 3bvx s SER 268 N -6.73 0.24 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.95 3bvx s SER 268 Ca -0.01 -1.18 0.21 0.00 0.70 0.00 0.00 55.95 55.67 3bvx s SER 268 Cb 0.12 0.34 0.69 0.00 -1.71 0.00 0.00 66.02 65.45 3bvx s SER 268 CO 0.75 -0.78 1.52 0.00 1.20 0.00 0.00 173.24 175.93 3bvx n TYR 269 N -0.14 0.25 -1.56 3.44 0.18 -1.26 -4.52 117.16 113.55 3bvx n TYR 269 Ca -0.04 -0.13 -0.29 0.00 1.88 0.00 0.00 57.90 59.32 3bvx n TYR 269 Cb 0.64 0.00 0.12 0.00 -0.38 0.00 0.00 39.34 39.72 3bvx n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3bvx s ASP 270 N -1.55 3.77 0.20 9.48 1.47 -1.26 -4.63 116.67 124.15 3bvx s ASP 270 Ca 0.33 1.02 -0.09 0.00 1.18 0.00 0.00 52.55 54.99 3bvx s ASP 270 Cb 0.18 -1.63 0.12 0.00 -0.34 0.00 0.00 42.92 41.26 3bvx s ASP 270 CO 0.27 -2.39 1.76 0.40 0.68 0.00 0.00 175.17 175.88 3bvx h ILE 271 N -1.39 1.25 -0.31 2.11 2.04 -1.88 -1.77 117.51 117.56 3bvx h ILE 271 Ca -0.50 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 64.67 3bvx h ILE 271 Cb 1.32 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3bvx h ILE 271 CO 0.62 0.32 0.29 -0.65 0.00 0.00 0.00 178.15 178.73 3bvx h PRO 272 N 1.03 0.00 -0.30 2.37 0.11 -1.88 -2.11 132.00 131.22 3bvx h PRO 272 Ca 0.24 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 3bvx h PRO 272 Cb 0.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 3bvx h PRO 272 CO -0.02 0.00 -0.00 0.72 -0.21 0.00 0.00 178.00 178.49 3bvx n HIS 273 N -3.95 1.03 -0.03 0.65 8.25 -0.70 -3.90 115.22 116.57 3bvx n HIS 273 Ca 0.05 -1.12 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 3bvx n HIS 273 Cb 0.45 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3bvx n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3bvx n THR 274 N -0.73 0.00 0.30 1.59 -2.24 -0.80 -4.59 114.28 107.81 3bvx n THR 274 Ca 0.26 -0.28 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 3bvx n THR 274 Cb 0.95 1.03 0.12 0.00 -2.10 0.00 0.00 70.33 70.33 3bvx n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bvx n GLY 276 N 1.21 -2.29 0.14 0.00 0.00 -1.26 -3.58 105.19 99.42 3bvx n GLY 276 Ca 0.02 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.92 3bvx n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bvx h PRO 277 N 0.00 0.00 -4.42 1.61 0.13 -1.92 -3.43 132.00 123.97 3bvx h PRO 277 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 3bvx h PRO 277 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 3bvx h PRO 277 CO 0.00 0.00 -0.46 0.34 -0.23 0.00 0.00 178.00 177.65 3bvx s ASP 278 N -4.84 5.63 0.47 1.44 -1.08 -1.26 -3.25 116.67 113.79 3bvx s ASP 278 Ca 0.08 -1.62 0.25 0.00 -0.52 0.00 0.00 52.55 50.74 3bvx s ASP 278 Cb 0.10 -1.98 1.16 0.00 -1.46 0.00 0.00 42.92 40.74 3bvx s ASP 278 CO 0.56 -0.57 1.94 1.55 0.52 0.00 0.00 175.17 179.17 3bvx h PRO 279 N 8.40 0.00 -0.16 4.34 0.13 -1.80 -0.31 132.00 142.61 3bvx h PRO 279 Ca -0.22 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.88 3bvx h PRO 279 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3bvx h PRO 279 CO 0.78 0.19 -0.05 -0.22 -0.23 0.00 0.00 178.00 178.47 3bvx h LYS 280 N 0.00 0.23 0.00 0.86 3.64 -1.93 0.66 116.57 120.04 3bvx h LYS 280 Ca -0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3bvx h LYS 280 Cb 0.55 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3bvx h LYS 280 CO 0.02 0.30 -0.21 0.28 -2.27 0.00 0.00 179.45 177.57 3bvx h VAL 281 N 0.23 1.50 -0.04 2.00 2.07 -1.61 -3.37 116.25 117.02 3bvx h VAL 281 Ca 0.05 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 3bvx h VAL 281 Cb 0.24 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3bvx h VAL 281 CO 0.01 0.51 -0.08 0.00 0.02 0.00 0.00 177.57 178.03 3bvx n GLN 284 N -3.93 0.25 -0.22 0.00 6.02 -0.51 -1.78 117.38 117.22 3bvx n GLN 284 Ca -0.03 0.12 0.07 0.00 -0.01 0.00 0.00 57.00 57.16 3bvx n GLN 284 Cb 0.10 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.03 3bvx n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3bvx n PHE 285 N -1.27 0.43 -3.41 1.08 3.72 0.21 -4.10 117.46 114.11 3bvx n PHE 285 Ca 0.08 -0.81 -0.44 0.00 -0.05 0.00 0.00 57.45 56.23 3bvx n PHE 285 Cb 0.13 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 3bvx n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3bvx s ASP 286 N -1.99 6.17 0.00 4.37 -1.08 -0.74 -4.95 116.67 118.45 3bvx s ASP 286 Ca 0.30 -2.21 0.25 0.00 -0.52 0.00 0.00 52.55 50.38 3bvx s ASP 286 Cb 0.24 -2.13 1.51 0.00 -1.46 0.00 0.00 42.92 41.08 3bvx s ASP 286 CO 0.07 -0.68 1.88 0.49 0.52 0.00 0.00 175.17 177.44 3bvx n PHE 287 N 4.60 0.00 1.25 -5.34 3.01 -1.26 -1.64 117.46 118.08 3bvx n PHE 287 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 3bvx n PHE 287 Cb 0.42 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.56 3bvx n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3bvx n LYS 288 N -0.99 0.37 -1.09 -1.08 4.81 -1.26 -4.19 118.16 114.73 3bvx n LYS 288 Ca 0.19 0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.47 3bvx n LYS 288 Cb 0.09 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 33.81 3bvx n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3bvx n ARG 289 N -1.29 2.30 0.00 1.64 1.74 -0.65 -4.47 116.66 115.92 3bvx n ARG 289 Ca 0.12 -2.74 0.11 0.00 -0.77 0.00 0.00 57.85 54.58 3bvx n ARG 289 Cb 0.21 -2.08 0.07 0.00 -1.02 0.00 0.00 32.46 29.65 3bvx n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3bvx n MET 290 N -0.89 0.83 0.00 5.56 2.81 -1.26 -4.36 117.12 119.82 3bvx n MET 290 Ca 0.52 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3bvx n MET 290 Cb 1.54 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 3bvx n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bvx n GLY 291 N 1.42 4.45 0.25 3.03 0.00 -1.24 -4.98 105.19 108.13 3bvx n GLY 291 Ca 0.09 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 45.43 3bvx n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bvx h SER 292 N 1.91 0.00 -0.17 1.61 4.64 -1.89 -1.62 113.55 118.03 3bvx h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bvx h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bvx h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3bvx n PHE 293 N -2.79 0.20 -1.09 4.77 3.01 -1.26 -4.94 117.46 115.35 3bvx n PHE 293 Ca -0.01 -0.10 -0.03 0.00 1.01 0.00 0.00 57.45 58.32 3bvx n PHE 293 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 3bvx n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bvx n GLY 294 N 1.30 0.63 3.39 1.37 0.00 -0.61 -5.03 105.19 106.23 3bvx n GLY 294 Ca 0.17 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 3bvx n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bvx s LEU 295 N -0.71 2.47 0.31 0.99 1.43 -1.26 -5.06 118.68 116.84 3bvx s LEU 295 Ca 0.00 -0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 52.15 3bvx s LEU 295 Cb 0.00 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3bvx s LEU 295 CO 0.00 0.02 0.43 -0.94 0.23 0.00 0.00 176.35 176.09 3bvx s SER 296 N -2.86 0.65 -0.28 2.29 1.04 -1.26 -3.66 113.70 109.61 3bvx s SER 296 Ca 0.20 -1.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 3bvx s SER 296 Cb -0.06 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 3bvx s SER 296 CO 0.09 -1.20 0.21 0.00 0.98 0.00 0.00 173.24 173.32 3bvx h PRO 298 N 8.35 0.00 0.00 0.00 0.11 -1.97 -0.46 132.00 138.03 3bvx h PRO 298 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3bvx h PRO 298 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bvx h PRO 298 CO 0.56 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.26 3bvx n TRP 299 N -4.06 0.00 -1.02 0.65 8.01 -1.26 -4.91 117.44 114.85 3bvx n TRP 299 Ca -0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 3bvx n TRP 299 Cb 0.21 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3bvx n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3bvx n LYS 300 N -0.89 -0.32 -4.04 -0.99 5.02 -0.18 -4.98 118.16 111.76 3bvx n LYS 300 Ca 0.18 0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 56.36 3bvx n LYS 300 Cb 0.08 -3.54 -0.15 0.00 -0.02 0.00 0.00 35.03 31.40 3bvx n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bvx s VAL 301 N -1.89 1.98 0.76 -0.18 1.01 -1.26 -5.06 120.40 115.76 3bvx s VAL 301 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.46 3bvx s VAL 301 Cb 0.00 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.35 3bvx s VAL 301 CO 0.00 0.05 1.10 -2.16 0.00 0.00 0.00 175.10 174.09 3bvx s PRO 302 N 1.21 2.41 0.57 2.72 0.04 -1.26 -4.49 135.00 136.20 3bvx s PRO 302 Ca -0.06 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.33 3bvx s PRO 302 Cb -0.18 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3bvx s PRO 302 CO -0.07 -1.37 1.23 -2.14 0.04 0.00 0.00 177.00 174.70 3bvx s PRO 303 N -5.25 3.06 -0.03 0.56 0.02 -1.26 -4.74 135.00 127.36 3bvx s PRO 303 Ca 0.60 1.90 0.07 0.00 0.02 0.00 0.00 61.00 63.59 3bvx s PRO 303 Cb -0.13 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 3bvx s PRO 303 CO 0.53 -1.15 -0.24 1.03 -0.33 0.00 0.00 177.00 176.84 3bvx s ARG 304 N -3.19 2.05 0.24 5.54 0.52 -1.26 -4.83 118.95 118.02 3bvx s ARG 304 Ca 0.75 -0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 54.78 3bvx s ARG 304 Cb -0.32 -1.93 -0.13 0.00 0.52 0.00 0.00 34.95 33.09 3bvx s ARG 304 CO 0.36 0.49 1.57 2.41 0.02 0.00 0.00 175.30 180.15 3bvx n THR 305 N 2.58 0.60 -2.64 0.02 -1.04 -1.26 -4.93 114.28 107.61 3bvx n THR 305 Ca -0.16 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 3bvx n THR 305 Cb 0.52 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 3bvx n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3bvx s ILE 306 N 0.39 4.29 0.20 12.58 -1.09 -1.26 -4.97 121.20 131.34 3bvx s ILE 306 Ca 0.70 1.89 0.01 0.00 -2.23 0.00 0.00 60.65 61.02 3bvx s ILE 306 Cb -0.58 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.05 3bvx s ILE 306 CO 0.43 0.28 0.06 -0.94 -1.23 0.00 0.00 174.94 173.55 3bvx s SER 307 N 0.09 0.91 0.43 3.58 1.04 -1.26 -4.99 113.70 113.50 3bvx s SER 307 Ca 0.49 -1.28 0.10 0.00 0.48 0.00 0.00 55.95 55.74 3bvx s SER 307 Cb -0.26 0.20 0.97 0.00 0.10 0.00 0.00 66.02 67.03 3bvx s SER 307 CO 0.31 -0.69 2.05 0.44 0.98 0.00 0.00 173.24 176.33 3bvx h ASP 308 N 2.60 0.37 1.49 7.02 3.32 -2.00 0.86 116.42 130.08 3bvx h ASP 308 Ca -0.37 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3bvx h ASP 308 Cb 1.23 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3bvx h ASP 308 CO 0.60 0.26 -0.01 0.00 -1.72 0.00 0.00 179.24 178.37 3bvx n GLN 309 N -4.48 0.27 0.00 3.56 10.64 -1.26 -3.70 117.38 122.42 3bvx n GLN 309 Ca 0.04 0.22 0.01 0.00 -1.83 0.00 0.00 57.00 55.44 3bvx n GLN 309 Cb 0.15 -1.82 0.00 0.00 -0.86 0.00 0.00 30.24 27.72 3bvx n GLN 309 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3bvx n ASN 310 N -2.30 0.83 0.05 2.61 0.23 -0.97 -4.79 115.26 110.93 3bvx n ASN 310 Ca 0.05 -0.91 0.01 0.00 -0.53 0.00 0.00 54.58 53.20 3bvx n ASN 310 Cb 0.43 0.27 0.35 0.00 -2.08 0.00 0.00 39.78 38.75 3bvx n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3bvx h VAL 311 N 0.18 1.18 -0.42 3.53 3.04 -0.92 -1.17 116.25 121.67 3bvx h VAL 311 Ca 0.00 -0.73 -0.07 0.00 -1.01 0.00 0.00 66.70 64.89 3bvx h VAL 311 Cb 0.05 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 3bvx h VAL 311 CO 0.00 0.24 -0.01 0.00 -1.01 0.00 0.00 177.57 176.79 3bvx h ALA 312 N 1.59 0.57 -0.40 3.17 0.00 -1.85 0.55 119.26 122.88 3bvx h ALA 312 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3bvx h ALA 312 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3bvx h ALA 312 CO 0.01 0.37 0.01 0.00 0.00 0.00 0.00 179.25 179.64 3bvx h ALA 313 N 0.89 0.53 -0.48 0.00 0.00 -1.79 -1.07 119.26 117.34 3bvx h ALA 313 Ca 0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3bvx h ALA 313 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3bvx h ALA 313 CO 0.02 0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 3bvx h ARG 314 N 0.52 0.92 -0.45 0.00 2.47 -1.15 -2.22 114.38 114.48 3bvx h ARG 314 Ca 0.11 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 3bvx h ARG 314 Cb 0.45 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 3bvx h ARG 314 CO 0.02 1.01 0.22 0.77 0.56 0.00 0.00 179.97 182.55 3bvx h SER 315 N 0.81 0.58 -0.39 7.04 0.02 -0.78 -1.01 113.55 119.81 3bvx h SER 315 Ca 0.12 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3bvx h SER 315 Cb 0.70 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.00 3bvx h SER 315 CO 0.05 0.53 -0.26 0.44 -1.14 0.00 0.00 176.83 176.46 3bvx h ASP 316 N 0.58 -0.86 -0.56 3.07 5.19 -0.89 0.12 116.42 123.07 3bvx h ASP 316 Ca 0.15 0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.75 3bvx h ASP 316 Cb 0.10 0.43 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3bvx h ASP 316 CO -0.02 -0.28 0.36 -0.07 -3.12 0.00 0.00 179.24 176.11 3bvx h LEU 317 N -0.19 0.61 -0.14 1.55 3.38 -1.04 -1.96 115.31 117.51 3bvx h LEU 317 Ca 0.19 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3bvx h LEU 317 Cb 0.49 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3bvx h LEU 317 CO -0.51 0.44 -0.58 0.25 0.09 0.00 0.00 178.44 178.13 3bvx h LEU 318 N 0.73 0.76 -1.00 1.67 5.85 -0.80 -2.71 115.31 119.80 3bvx h LEU 318 Ca 0.21 -0.62 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3bvx h LEU 318 Cb -0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3bvx h LEU 318 CO -0.06 1.25 0.20 0.58 -0.34 0.00 0.00 178.44 180.07 3bvx h VAL 319 N 0.31 1.23 -0.80 1.05 2.07 -0.74 -0.37 116.25 118.99 3bvx h VAL 319 Ca -0.03 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3bvx h VAL 319 Cb 1.22 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3bvx h VAL 319 CO 0.12 0.30 0.53 -0.78 0.02 0.00 0.00 177.57 177.76 3bvx h ASP 320 N 0.90 0.91 -0.43 0.57 1.82 -1.29 0.18 116.42 119.09 3bvx h ASP 320 Ca 0.20 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 3bvx h ASP 320 Cb 0.24 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 3bvx h ASP 320 CO -0.01 0.66 0.23 1.56 -1.61 0.00 0.00 179.24 180.07 3bvx h GLN 321 N 1.08 0.60 -0.57 0.28 1.08 -1.02 -1.72 115.11 114.84 3bvx h GLN 321 Ca 0.30 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.43 3bvx h GLN 321 Cb -0.12 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 3bvx h GLN 321 CO -0.07 0.48 0.37 -1.49 -0.95 0.00 0.00 178.83 177.18 3bvx h TRP 322 N 0.56 0.71 -0.05 2.96 6.55 -0.53 -0.96 115.95 125.18 3bvx h TRP 322 Ca 0.15 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.91 3bvx h TRP 322 Cb 0.06 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.10 3bvx h TRP 322 CO -0.02 0.44 -0.40 0.87 -1.05 0.00 0.00 178.44 178.28 3bvx h LYS 323 N 0.76 0.11 -0.21 0.49 1.57 -0.49 0.14 116.57 118.95 3bvx h LYS 323 Ca 0.21 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3bvx h LYS 323 Cb -0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3bvx h LYS 323 CO -0.05 0.50 0.00 0.87 -0.57 0.00 0.00 179.45 180.21 3bvx h LYS 324 N 0.10 0.36 -0.99 3.15 1.57 -0.94 -2.70 116.57 117.13 3bvx h LYS 324 Ca 0.01 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3bvx h LYS 324 Cb 0.76 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3bvx h LYS 324 CO 0.06 0.56 0.64 -0.22 -0.57 0.00 0.00 179.45 179.91 3bvx h LYS 325 N 0.13 1.15 0.00 3.15 3.64 -0.79 -1.86 116.57 121.98 3bvx h LYS 325 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3bvx h LYS 325 Cb 0.39 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3bvx h LYS 325 CO 0.01 0.76 -0.06 0.00 -2.27 0.00 0.00 179.45 177.89 3bvx h ALA 326 N 1.45 1.12 0.00 5.00 0.00 -0.58 -1.63 119.26 124.63 3bvx h ALA 326 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3bvx h ALA 326 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3bvx h ALA 326 CO -0.15 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.10 3bvx h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -1.00 -2.67 114.58 115.29 3bvx h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bvx h GLU 327 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3bvx h GLU 327 CO 0.01 0.00 -0.16 1.28 -1.16 0.00 0.00 179.01 178.98 3bvx n LEU 328 N -2.96 0.76 -4.34 1.33 4.77 -0.61 -4.91 117.00 111.03 3bvx n LEU 328 Ca -0.02 -0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.65 3bvx n LEU 328 Cb 0.13 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 3bvx n LEU 328 CO 0.21 0.14 -0.34 -0.31 -1.33 0.00 0.00 177.39 175.76 3bvx s TYR 329 N -2.44 1.61 -0.26 -1.77 1.51 -1.01 -4.42 117.35 110.57 3bvx s TYR 329 Ca 0.28 -0.88 0.22 0.00 -1.01 0.00 0.00 57.07 55.68 3bvx s TYR 329 Cb 0.20 -0.93 -0.14 0.00 -0.11 0.00 0.00 41.96 40.97 3bvx s TYR 329 CO 0.48 0.02 0.79 0.54 -1.11 0.00 0.00 175.55 176.27 3bvx n ARG 330 N -0.44 0.53 -3.64 -0.62 1.74 -1.26 -4.97 116.66 108.01 3bvx n ARG 330 Ca -0.05 -0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.75 3bvx n ARG 330 Cb 0.64 -1.63 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3bvx n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3bvx s THR 331 N -3.38 2.08 -0.42 0.55 -4.23 -1.26 -4.68 115.64 104.30 3bvx s THR 331 Ca -0.02 -1.37 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 3bvx s THR 331 Cb 0.13 -2.45 0.47 0.00 1.34 0.00 0.00 72.50 71.99 3bvx s THR 331 CO 0.85 0.00 1.41 -0.46 -0.54 0.00 0.00 174.62 175.88 3bvx n ASN 332 N -1.76 3.75 -4.21 3.99 6.94 -1.26 -4.84 115.26 117.86 3bvx n ASN 332 Ca 0.03 -2.77 -0.33 0.00 -0.02 0.00 0.00 54.58 51.49 3bvx n ASN 332 Cb 0.63 -0.66 -0.16 0.00 -2.36 0.00 0.00 39.78 37.23 3bvx n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3bvx s VAL 333 N -2.08 2.47 -0.07 3.53 1.01 -1.26 -0.52 120.40 123.47 3bvx s VAL 333 Ca 0.35 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3bvx s VAL 333 Cb 0.28 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3bvx s VAL 333 CO 0.09 0.52 -0.23 -0.22 0.00 0.00 0.00 175.10 175.25 3bvx s LEU 334 N 1.05 2.18 -0.21 3.92 2.96 1.00 -4.95 118.68 124.63 3bvx s LEU 334 Ca -0.01 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 3bvx s LEU 334 Cb -0.14 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3bvx s LEU 334 CO -0.05 0.23 0.39 -0.22 -1.32 0.00 0.00 176.35 175.37 3bvx s LEU 335 N -0.05 4.14 -0.49 -0.68 2.96 -1.26 -0.83 118.68 122.46 3bvx s LEU 335 Ca -0.06 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 3bvx s LEU 335 Cb -0.15 -2.49 0.13 0.00 0.50 0.00 0.00 46.19 44.19 3bvx s LEU 335 CO 0.05 -0.08 0.25 -0.63 -1.32 0.00 0.00 176.35 174.61 3bvx s ILE 336 N 1.40 2.17 0.51 6.68 -1.09 0.19 -4.97 121.20 126.09 3bvx s ILE 336 Ca 0.18 -3.03 -0.23 0.00 -2.23 0.00 0.00 60.65 55.34 3bvx s ILE 336 Cb -0.15 -2.51 -0.06 0.00 -1.58 0.00 0.00 42.46 38.16 3bvx s ILE 336 CO 0.08 -0.83 1.35 -2.65 -1.23 0.00 0.00 174.94 171.66 3bvx n PRO 337 N 3.29 1.83 -3.65 2.79 -0.02 -1.26 -0.79 135.00 137.18 3bvx n PRO 337 Ca 0.06 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.91 3bvx n PRO 337 Cb 0.33 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.13 3bvx n PRO 337 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3bvx s LEU 338 N -2.97 2.27 0.00 2.45 2.96 0.27 -4.73 118.68 118.92 3bvx s LEU 338 Ca 0.68 -2.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.09 3bvx s LEU 338 Cb -0.44 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.38 3bvx s LEU 338 CO 0.52 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 3bvx n GLY 339 N 3.69 -1.21 1.85 7.98 0.00 -1.26 -1.58 105.19 114.66 3bvx n GLY 339 Ca 0.09 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 3bvx n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bvx n ASP 340 N 0.18 -0.72 -4.71 1.61 -0.08 -1.25 -3.22 116.55 108.37 3bvx n ASP 340 Ca 0.00 -1.30 -0.42 0.00 -1.51 0.00 0.00 54.79 51.56 3bvx n ASP 340 Cb 0.00 1.15 -0.03 0.00 2.34 0.00 0.00 41.12 44.58 3bvx n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3bvx s ASP 341 N -2.23 6.71 -1.53 1.67 1.11 -1.26 -1.32 116.67 119.81 3bvx s ASP 341 Ca 0.12 2.43 -0.15 0.00 0.18 0.00 0.00 52.55 55.13 3bvx s ASP 341 Cb -0.01 -2.58 0.12 0.00 1.07 0.00 0.00 42.92 41.52 3bvx s ASP 341 CO 0.01 -0.75 0.73 0.49 1.18 0.00 0.00 175.17 176.83 3bvx n PHE 342 N 4.31 -1.86 -1.85 4.23 3.01 0.59 -4.81 117.46 121.10 3bvx n PHE 342 Ca 0.13 0.71 -0.29 0.00 1.01 0.00 0.00 57.45 59.01 3bvx n PHE 342 Cb 0.41 -3.09 0.10 0.00 -0.01 0.00 0.00 39.48 36.89 3bvx n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3bvx s ARG 343 N -6.59 1.75 -1.10 -1.08 1.81 -1.15 -4.39 118.95 108.20 3bvx s ARG 343 Ca 0.63 0.10 -0.03 0.00 -1.72 0.00 0.00 55.73 54.71 3bvx s ARG 343 Cb -0.33 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 3bvx s ARG 343 CO 0.77 -1.74 0.93 1.19 -0.68 0.00 0.00 175.30 175.77 3bvx n PHE 344 N -3.42 -2.13 -0.00 -0.53 3.01 -1.26 -4.73 117.46 108.39 3bvx n PHE 344 Ca 0.08 0.85 -0.00 0.00 1.01 0.00 0.00 57.45 59.39 3bvx n PHE 344 Cb 0.61 -4.65 -0.00 0.00 -0.01 0.00 0.00 39.48 35.42 3bvx n PHE 344 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3bvx n LYS 345 N -3.99 0.01 -2.31 -1.08 4.81 -1.26 -4.35 118.16 109.98 3bvx n LYS 345 Ca -0.16 0.20 -0.37 0.00 -0.87 0.00 0.00 58.31 57.10 3bvx n LYS 345 Cb 0.62 -0.71 -0.02 0.00 0.02 0.00 0.00 35.03 34.94 3bvx n LYS 345 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3bvx s GLN 346 N -1.03 3.90 0.27 1.64 1.11 -1.26 -4.45 119.66 119.85 3bvx s GLN 346 Ca -0.00 1.75 -0.01 0.00 0.01 0.00 0.00 55.36 57.11 3bvx s GLN 346 Cb 0.00 -2.50 0.48 0.00 -1.01 0.00 0.00 33.01 29.99 3bvx s GLN 346 CO 0.01 -0.42 1.86 -0.91 0.01 0.00 0.00 175.29 175.83 3bvx h ASN 347 N 2.27 0.97 0.10 5.90 2.35 -1.95 -0.91 115.58 124.31 3bvx h ASN 347 Ca -0.49 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 3bvx h ASN 347 Cb 1.24 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 3bvx h ASN 347 CO 0.61 0.57 -0.12 0.71 -1.65 0.00 0.00 177.43 177.55 3bvx h THR 348 N 1.07 1.11 -0.17 2.81 1.35 -1.99 -1.21 112.91 115.87 3bvx h THR 348 Ca 0.47 -0.48 -0.15 0.00 -0.55 0.00 0.00 66.41 65.69 3bvx h THR 348 Cb 0.34 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3bvx h THR 348 CO -0.22 0.14 -0.49 -0.08 -0.25 0.00 0.00 175.52 174.62 3bvx h GLU 349 N 0.05 0.63 -0.54 4.72 4.81 -1.56 -0.38 114.58 122.30 3bvx h GLU 349 Ca 0.01 -0.45 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 3bvx h GLU 349 Cb 0.24 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3bvx h GLU 349 CO 0.02 1.07 0.21 -1.49 -0.73 0.00 0.00 179.01 178.08 3bvx h TRP 350 N 0.30 0.37 -0.38 0.92 4.06 -0.99 -1.74 115.95 118.48 3bvx h TRP 350 Ca -0.01 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 3bvx h TRP 350 Cb 1.11 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.17 3bvx h TRP 350 CO 0.10 0.12 -0.03 -0.44 -3.56 0.00 0.00 178.44 174.62 3bvx h ASP 351 N 0.40 0.70 -0.18 -3.49 3.32 -1.09 -1.20 116.42 114.87 3bvx h ASP 351 Ca 0.26 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3bvx h ASP 351 Cb 0.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3bvx h ASP 351 CO -0.26 0.86 -0.23 1.62 -1.72 0.00 0.00 179.24 179.52 3bvx h VAL 352 N 0.52 1.27 0.00 -1.35 3.04 -0.76 0.85 116.25 119.82 3bvx h VAL 352 Ca 0.10 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.51 3bvx h VAL 352 Cb 0.52 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 3bvx h VAL 352 CO 0.03 0.42 -0.00 1.56 -1.01 0.00 0.00 177.57 178.57 3bvx h GLN 353 N 0.55 -0.00 -0.09 4.17 1.08 -1.29 -3.14 115.11 116.40 3bvx h GLN 353 Ca 0.08 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3bvx h GLN 353 Cb 0.69 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3bvx h GLN 353 CO 0.05 0.51 0.04 -0.09 -0.95 0.00 0.00 178.83 178.40 3bvx h ARG 354 N -0.51 0.13 -0.30 1.46 2.43 -1.07 -1.91 114.38 114.61 3bvx h ARG 354 Ca -0.00 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3bvx h ARG 354 Cb 0.51 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3bvx h ARG 354 CO 0.00 0.21 -0.35 0.28 -1.51 0.00 0.00 179.97 178.60 3bvx h VAL 355 N 0.02 1.29 -0.24 0.20 2.07 -0.96 0.17 116.25 118.80 3bvx h VAL 355 Ca 0.03 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 65.94 3bvx h VAL 355 Cb 0.12 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3bvx h VAL 355 CO -0.00 0.48 -0.28 0.78 0.02 0.00 0.00 177.57 178.57 3bvx h ASN 356 N 0.56 0.66 -0.57 0.57 2.35 -1.53 -1.77 115.58 115.85 3bvx h ASN 356 Ca 0.06 -0.49 -0.06 0.00 -0.55 0.00 0.00 56.30 55.25 3bvx h ASN 356 Cb 0.87 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3bvx h ASN 356 CO 0.08 1.02 0.12 1.88 -1.65 0.00 0.00 177.43 178.87 3bvx h TYR 357 N 0.32 1.01 -0.97 1.19 -1.99 -1.19 -1.97 116.97 113.36 3bvx h TYR 357 Ca 0.03 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.68 3bvx h TYR 357 Cb 0.85 -0.29 -0.06 0.00 2.00 0.00 0.00 36.73 39.24 3bvx h TYR 357 CO 0.08 0.84 0.64 0.93 -0.00 0.00 0.00 178.16 180.65 3bvx h GLU 358 N 0.91 1.20 -0.57 4.88 5.08 -0.46 0.16 114.58 125.77 3bvx h GLU 358 Ca 0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3bvx h GLU 358 Cb 0.37 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3bvx h GLU 358 CO 0.01 0.79 0.27 0.00 -1.00 0.00 0.00 179.01 179.07 3bvx h ARG 359 N 1.23 0.83 -0.26 2.33 3.08 -0.95 -0.69 114.38 119.95 3bvx h ARG 359 Ca 0.39 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3bvx h ARG 359 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3bvx h ARG 359 CO -0.12 0.69 0.13 -0.07 -1.07 0.00 0.00 179.97 179.53 3bvx h LEU 360 N 0.78 0.33 -0.84 3.04 3.38 -0.77 -2.48 115.31 118.76 3bvx h LEU 360 Ca 0.20 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3bvx h LEU 360 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3bvx h LEU 360 CO -0.02 0.34 0.19 -0.26 0.09 0.00 0.00 178.44 178.78 3bvx h PHE 361 N 0.30 1.08 -0.49 1.13 0.05 -0.45 0.12 116.94 118.68 3bvx h PHE 361 Ca 0.09 -0.11 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3bvx h PHE 361 Cb 0.09 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 37.70 3bvx h PHE 361 CO -0.03 0.87 0.28 1.49 -0.18 0.00 0.00 178.31 180.75 3bvx h GLU 362 N 1.00 0.68 0.20 1.51 4.81 -0.98 -0.50 114.58 121.31 3bvx h GLU 362 Ca 0.22 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3bvx h GLU 362 Cb 0.32 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3bvx h GLU 362 CO -0.00 0.51 -0.10 1.25 -0.73 0.00 0.00 179.01 179.94 3bvx h HIS 363 N 0.65 -0.25 -0.46 0.92 2.76 -1.12 -2.88 115.15 114.77 3bvx h HIS 363 Ca 0.17 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3bvx h HIS 363 Cb 0.02 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 3bvx h HIS 363 CO -0.02 0.06 0.28 0.82 -1.30 0.00 0.00 177.93 177.77 3bvx h ILE 364 N -0.57 1.06 0.00 6.26 2.04 -0.89 -2.17 117.51 123.24 3bvx h ILE 364 Ca -0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3bvx h ILE 364 Cb 0.43 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3bvx h ILE 364 CO 0.05 0.10 0.00 0.78 0.00 0.00 0.00 178.15 179.08 3bvx h ASN 365 N 0.57 0.00 0.13 1.72 2.35 -1.14 -2.74 115.58 116.47 3bvx h ASN 365 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3bvx h ASN 365 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3bvx h ASN 365 CO -0.07 0.00 -0.87 -1.54 -1.65 0.00 0.00 177.43 173.29 3bvx n SER 366 N -2.88 0.86 -4.28 5.81 3.41 -0.87 -4.76 113.62 110.92 3bvx n SER 366 Ca 0.02 -0.80 -0.43 0.00 -0.26 0.00 0.00 58.87 57.40 3bvx n SER 366 Cb 0.33 0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 3bvx n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3bvx s GLN 367 N -3.00 2.73 0.53 4.33 -1.52 -0.90 -4.95 119.66 116.88 3bvx s GLN 367 Ca 0.09 -1.63 0.22 0.00 -1.95 0.00 0.00 55.36 52.08 3bvx s GLN 367 Cb 0.16 -4.04 1.38 0.00 -0.22 0.00 0.00 33.01 30.29 3bvx s GLN 367 CO 0.83 -1.17 2.08 0.00 -0.25 0.00 0.00 175.29 176.77 3bvx h ALA 368 N 8.62 2.20 0.00 6.09 0.00 -1.86 -2.29 119.26 132.03 3bvx h ALA 368 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3bvx h ALA 368 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3bvx h ALA 368 CO 0.90 -0.32 0.00 1.12 0.00 0.00 0.00 179.25 180.95 3bvx h HIS 369 N 0.00 0.00 0.00 0.00 2.07 -1.93 -0.33 115.15 114.96 3bvx h HIS 369 Ca 0.12 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.50 3bvx h HIS 369 Cb 0.50 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 3bvx h HIS 369 CO 0.00 0.00 -0.67 0.74 -3.07 0.00 0.00 177.93 174.93 3bvx h PHE 370 N 0.00 0.00 -6.37 6.12 0.05 -1.71 -3.48 116.94 111.55 3bvx h PHE 370 Ca 0.00 0.00 -0.48 0.00 3.82 0.00 0.00 57.97 61.31 3bvx h PHE 370 Cb 0.14 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.05 3bvx h PHE 370 CO 0.00 0.67 -0.82 0.09 -0.18 0.00 0.00 178.31 178.07 3bvx n ASN 371 N -3.53 -2.64 -4.20 2.17 3.02 -0.14 -4.87 115.26 105.08 3bvx n ASN 371 Ca -0.00 -0.88 -0.26 0.00 -0.03 0.00 0.00 54.58 53.41 3bvx n ASN 371 Cb 0.71 -3.55 -0.15 0.00 -0.61 0.00 0.00 39.78 36.18 3bvx n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bvx s VAL 372 N -3.54 1.53 -0.21 2.41 1.01 -1.26 -0.54 120.40 119.79 3bvx s VAL 372 Ca 0.37 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3bvx s VAL 372 Cb -0.19 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 34.94 3bvx s VAL 372 CO 0.86 0.35 -0.13 -1.58 0.00 0.00 0.00 175.10 174.59 3bvx s GLN 373 N -0.66 2.39 0.06 2.72 2.00 -0.01 -4.34 119.66 121.82 3bvx s GLN 373 Ca 0.07 -1.01 0.10 0.00 -2.00 0.00 0.00 55.36 52.52 3bvx s GLN 373 Cb -0.08 -2.62 -0.03 0.00 0.80 0.00 0.00 33.01 31.08 3bvx s GLN 373 CO -0.00 -0.41 -0.26 0.00 -0.50 0.00 0.00 175.29 174.12 3bvx s ALA 374 N 1.26 2.28 0.13 1.58 0.00 -1.26 -0.95 121.76 124.80 3bvx s ALA 374 Ca -0.02 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 3bvx s ALA 374 Cb -0.17 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.56 3bvx s ALA 374 CO -0.09 0.54 0.62 1.14 0.00 0.00 0.00 175.76 177.97 3bvx s GLN 375 N -1.37 1.24 0.46 0.00 -2.07 -0.52 -4.89 119.66 112.51 3bvx s GLN 375 Ca 0.12 -0.38 -0.24 0.00 -1.82 0.00 0.00 55.36 53.04 3bvx s GLN 375 Cb -0.10 0.57 -0.07 0.00 -1.09 0.00 0.00 33.01 32.32 3bvx s GLN 375 CO 0.03 -0.53 1.28 -0.06 -1.32 0.00 0.00 175.29 174.68 3bvx s PHE 376 N -3.44 2.69 0.33 9.60 2.99 -1.26 -1.29 117.98 127.59 3bvx s PHE 376 Ca -0.00 1.44 -0.06 0.00 0.00 0.00 0.00 56.93 58.30 3bvx s PHE 376 Cb -0.01 -3.61 0.01 0.00 0.00 0.00 0.00 43.02 39.40 3bvx s PHE 376 CO -0.10 -2.13 0.51 0.20 -0.00 0.00 0.00 175.22 173.70 3bvx s GLY 377 N -0.99 1.13 0.45 4.36 0.00 0.31 -4.77 107.32 107.80 3bvx s GLY 377 Ca 0.63 -1.28 0.07 0.00 0.00 0.00 0.00 44.72 44.14 3bvx s GLY 377 CO 0.44 -0.83 0.34 -0.51 0.00 0.00 0.00 173.10 172.54 3bvx s THR 378 N -3.18 2.33 0.16 0.90 -4.23 -1.26 -4.20 115.64 106.16 3bvx s THR 378 Ca 0.27 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 3bvx s THR 378 Cb -0.01 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.09 3bvx s THR 378 CO 0.16 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.16 3bvx h LEU 379 N 1.04 0.83 -1.19 4.79 5.85 -1.96 -2.32 115.31 122.35 3bvx h LEU 379 Ca -0.40 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 3bvx h LEU 379 Cb 1.27 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3bvx h LEU 379 CO 0.60 0.84 0.12 -0.61 -0.34 0.00 0.00 178.44 179.06 3bvx h GLN 380 N 0.77 0.69 -0.67 1.25 5.75 -1.96 -1.78 115.11 119.16 3bvx h GLN 380 Ca 0.17 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3bvx h GLN 380 Cb 0.34 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3bvx h GLN 380 CO 0.00 0.62 0.38 0.93 -2.65 0.00 0.00 178.83 178.11 3bvx h GLU 381 N 0.67 0.92 0.43 1.69 5.08 -1.89 0.68 114.58 122.17 3bvx h GLU 381 Ca 0.15 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3bvx h GLU 381 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3bvx h GLU 381 CO -0.00 0.68 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.47 3bvx h TYR 382 N 0.91 -0.79 -0.82 4.33 3.20 -0.89 -1.87 116.97 121.05 3bvx h TYR 382 Ca 0.24 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3bvx h TYR 382 Cb 0.01 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 3bvx h TYR 382 CO -0.01 -0.45 0.35 0.74 -1.64 0.00 0.00 178.16 177.16 3bvx h PHE 383 N -0.71 1.22 -0.81 -3.82 0.05 -1.10 -0.47 116.94 111.31 3bvx h PHE 383 Ca -0.04 -0.08 0.03 0.00 3.82 0.00 0.00 57.97 61.69 3bvx h PHE 383 Cb 0.60 -0.37 -0.05 0.00 2.00 0.00 0.00 35.95 38.13 3bvx h PHE 383 CO -0.12 0.91 0.53 -0.44 -0.18 0.00 0.00 178.31 179.00 3bvx h ASP 384 N 1.19 0.88 -0.07 2.17 3.32 -0.77 -0.71 116.42 122.43 3bvx h ASP 384 Ca 0.28 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 3bvx h ASP 384 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3bvx h ASP 384 CO -0.03 0.62 -0.44 0.00 -1.72 0.00 0.00 179.24 177.67 3bvx h ALA 385 N 1.33 0.77 -0.65 3.45 0.00 -0.70 -0.73 119.26 122.73 3bvx h ALA 385 Ca 0.32 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3bvx h ALA 385 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3bvx h ALA 385 CO -0.10 0.66 0.42 0.28 0.00 0.00 0.00 179.25 180.51 3bvx h VAL 386 N 0.50 1.18 0.00 0.00 2.07 -0.65 -1.51 116.25 117.83 3bvx h VAL 386 Ca 0.03 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3bvx h VAL 386 Cb 0.97 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3bvx h VAL 386 CO 0.09 0.18 -0.54 0.45 0.02 0.00 0.00 177.57 177.76 3bvx h HIS 387 N 0.88 0.00 -0.78 1.57 -0.00 -0.86 -0.39 115.15 115.57 3bvx h HIS 387 Ca 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.61 3bvx h HIS 387 Cb -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 3bvx h HIS 387 CO -0.02 0.54 0.51 1.96 -0.00 0.00 0.00 177.93 180.92 3bvx h GLN 388 N 0.00 1.04 -0.72 2.45 4.20 -0.83 0.17 115.11 121.41 3bvx h GLN 388 Ca -0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 3bvx h GLN 388 Cb 1.17 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3bvx h GLN 388 CO 0.07 0.70 0.21 0.00 -0.67 0.00 0.00 178.83 179.13 3bvx h ALA 389 N 1.28 0.95 -0.48 3.87 0.00 -0.63 -1.40 119.26 122.85 3bvx h ALA 389 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3bvx h ALA 389 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3bvx h ALA 389 CO -0.06 0.65 0.17 1.49 0.00 0.00 0.00 179.25 181.50 3bvx h GLU 390 N 1.08 0.73 -0.06 0.00 4.81 -0.79 -1.05 114.58 119.31 3bvx h GLU 390 Ca 0.23 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3bvx h GLU 390 Cb 0.33 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3bvx h GLU 390 CO -0.00 0.68 -0.20 0.00 -0.73 0.00 0.00 179.01 178.75 3bvx h ARG 391 N 0.64 0.10 0.00 1.92 3.08 -0.80 -0.92 114.38 118.40 3bvx h ARG 391 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3bvx h ARG 391 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3bvx h ARG 391 CO -0.01 0.30 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 3bvx n ALA 392 N -2.49 2.46 -1.11 0.04 0.00 -0.54 -4.87 120.51 113.99 3bvx n ALA 392 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 3bvx n ALA 392 Cb 0.29 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3bvx n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bvx n GLY 393 N 0.60 0.67 0.11 0.00 0.00 -0.35 -4.95 105.19 101.27 3bvx n GLY 393 Ca 0.17 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.53 3bvx n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvx n GLN 394 N -2.80 0.26 -3.59 1.61 10.64 -0.44 -4.91 117.38 118.15 3bvx n GLN 394 Ca -0.04 0.26 -0.16 0.00 -1.83 0.00 0.00 57.00 55.24 3bvx n GLN 394 Cb 0.13 -1.83 -0.06 0.00 -0.86 0.00 0.00 30.24 27.62 3bvx n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3bvx s ALA 395 N -3.15 -1.44 -0.08 2.61 0.00 -1.26 -4.85 121.76 113.59 3bvx s ALA 395 Ca 0.09 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3bvx s ALA 395 Cb 0.12 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3bvx s ALA 395 CO 0.56 -0.37 -0.07 -2.00 0.00 0.00 0.00 175.76 173.87 3bvx s GLU 396 N -1.48 1.34 0.19 0.00 2.12 -1.26 -4.65 118.70 114.95 3bvx s GLU 396 Ca -0.10 -0.23 -0.11 0.00 0.36 0.00 0.00 54.97 54.89 3bvx s GLU 396 Cb -0.01 -1.33 -0.07 0.00 0.26 0.00 0.00 34.13 32.98 3bvx s GLU 396 CO 0.06 -0.16 0.53 -0.06 -0.54 0.00 0.00 175.26 175.09 3bvx s PHE 397 N 1.31 3.49 0.69 5.30 0.40 -1.26 -5.05 117.98 122.86 3bvx s PHE 397 Ca -0.03 0.91 -0.12 0.00 -0.60 0.00 0.00 56.93 57.08 3bvx s PHE 397 Cb -0.14 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.13 3bvx s PHE 397 CO -0.03 0.35 1.07 -1.25 0.70 0.00 0.00 175.22 176.06 3bvx s PRO 398 N -2.48 2.81 0.07 0.24 0.04 -1.26 -4.79 135.00 129.63 3bvx s PRO 398 Ca 0.43 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 3bvx s PRO 398 Cb -0.13 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3bvx s PRO 398 CO 0.20 -1.21 0.28 0.95 0.04 0.00 0.00 177.00 177.26 3bvx s THR 399 N -2.78 5.30 -0.03 1.26 -4.23 -1.26 -0.72 115.64 113.16 3bvx s THR 399 Ca 0.61 -0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 3bvx s THR 399 Cb -0.16 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.08 3bvx s THR 399 CO 0.50 0.17 0.12 -0.22 -0.54 0.00 0.00 174.62 174.64 3bvx s LEU 400 N -2.34 1.58 0.14 4.79 0.20 -0.44 -1.25 118.68 121.35 3bvx s LEU 400 Ca 0.35 0.13 0.03 0.00 0.69 0.00 0.00 54.13 55.33 3bvx s LEU 400 Cb -0.13 0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 46.03 3bvx s LEU 400 CO 0.23 -0.11 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.17 3bvx s SER 401 N -0.25 1.52 0.00 3.68 1.04 -0.46 -1.08 113.70 118.16 3bvx s SER 401 Ca -0.03 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.36 3bvx s SER 401 Cb -0.02 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3bvx s SER 401 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3bvx n GLY 402 N -0.17 0.41 3.45 7.32 0.00 -1.26 -1.07 105.19 113.87 3bvx n GLY 402 Ca -0.10 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.42 3bvx n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bvx n ASP 403 N 0.62 2.25 -2.67 1.61 5.75 -1.26 -4.36 116.55 118.49 3bvx n ASP 403 Ca 0.00 -3.18 -0.21 0.00 -0.01 0.00 0.00 54.79 51.40 3bvx n ASP 403 Cb 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 3bvx n ASP 403 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3bvx n PHE 404 N -1.07 2.51 -4.42 2.11 3.01 -0.11 -4.90 117.46 114.59 3bvx n PHE 404 Ca -0.13 -3.21 -0.27 0.00 1.01 0.00 0.00 57.45 54.85 3bvx n PHE 404 Cb 0.62 -0.26 -0.12 0.00 -0.01 0.00 0.00 39.48 39.71 3bvx n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3bvx s PHE 405 N -3.30 2.29 -0.10 1.38 0.40 -1.26 -2.63 117.98 114.76 3bvx s PHE 405 Ca 0.41 -0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 56.19 3bvx s PHE 405 Cb 0.40 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 3bvx s PHE 405 CO -0.10 0.48 0.51 0.99 0.70 0.00 0.00 175.22 177.80 3bvx s THR 406 N -1.64 5.15 0.28 0.64 2.01 -1.26 -5.09 115.64 115.73 3bvx s THR 406 Ca 0.20 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 3bvx s THR 406 Cb -0.08 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 3bvx s THR 406 CO 0.09 0.33 1.47 -0.47 -0.69 0.00 0.00 174.62 175.36 3bvx s TYR 407 N 0.56 2.91 -0.05 4.92 5.04 -1.26 -4.78 117.35 124.69 3bvx s TYR 407 Ca 0.28 1.00 0.03 0.00 -2.44 0.00 0.00 57.07 55.94 3bvx s TYR 407 Cb -0.16 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.27 3bvx s TYR 407 CO 0.12 -2.88 -0.14 0.00 -1.34 0.00 0.00 175.55 171.31 3bvx s ALA 408 N -0.19 1.29 -0.20 3.97 0.00 -1.26 -0.45 121.76 124.91 3bvx s ALA 408 Ca 0.59 -0.51 0.22 0.00 0.00 0.00 0.00 51.96 52.27 3bvx s ALA 408 Cb -0.44 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 3bvx s ALA 408 CO 0.47 0.18 0.92 -0.40 0.00 0.00 0.00 175.76 176.94 3bvx n ASP 409 N 3.46 0.66 -3.53 0.00 5.75 -1.21 -2.66 116.55 119.03 3bvx n ASP 409 Ca -0.20 0.25 -0.10 0.00 -0.01 0.00 0.00 54.79 54.72 3bvx n ASP 409 Cb 0.53 0.78 -0.04 0.00 -1.03 0.00 0.00 41.12 41.36 3bvx n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bvx s ARG 410 N -3.39 0.76 4.37 0.11 1.70 -1.26 -4.76 118.95 116.47 3bvx s ARG 410 Ca -0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 3bvx s ARG 410 Cb 0.11 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3bvx s ARG 410 CO 0.82 -0.29 0.00 0.45 -1.08 0.00 0.00 175.30 175.19 3bvx n SER 411 N 0.24 0.00 -1.68 -2.89 2.88 -1.26 -0.70 113.62 110.22 3bvx n SER 411 Ca -0.10 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.48 3bvx n SER 411 Cb 0.60 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.40 3bvx n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3bvx n ASP 412 N 2.56 5.04 -4.49 -3.46 5.75 -1.26 -4.88 116.55 115.81 3bvx n ASP 412 Ca 0.00 -3.05 -0.43 0.00 -0.01 0.00 0.00 54.79 51.30 3bvx n ASP 412 Cb 0.00 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.41 3bvx n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3bvx s ASN 413 N -1.16 6.84 -0.02 -1.12 0.02 0.13 -4.97 114.94 114.66 3bvx s ASN 413 Ca 0.52 -2.45 -0.20 0.00 -1.02 0.00 0.00 52.86 49.71 3bvx s ASN 413 Cb 0.41 -2.45 -0.05 0.00 0.02 0.00 0.00 41.25 39.18 3bvx s ASN 413 CO 0.13 -0.99 0.57 -0.31 0.02 0.00 0.00 177.10 176.52 3bvx s TYR 414 N 2.71 3.65 -1.10 2.20 1.51 -1.26 -3.31 117.35 121.76 3bvx s TYR 414 Ca 0.42 1.14 -0.05 0.00 -1.01 0.00 0.00 57.07 57.57 3bvx s TYR 414 Cb -0.02 -2.59 0.12 0.00 -0.11 0.00 0.00 41.96 39.36 3bvx s TYR 414 CO -0.03 0.33 2.45 0.91 -1.11 0.00 0.00 175.55 178.10 3bvx n TRP 415 N 2.87 2.37 1.06 2.71 7.02 0.40 -2.70 117.44 131.16 3bvx n TRP 415 Ca -0.07 -2.59 0.11 0.00 -1.02 0.00 0.00 57.50 53.93 3bvx n TRP 415 Cb 0.51 -1.69 0.08 0.00 -2.42 0.00 0.00 31.31 27.80 3bvx n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3bvx n SER 416 N 1.41 1.70 -0.07 -0.99 3.41 -1.23 -4.32 113.62 113.54 3bvx n SER 416 Ca 0.58 -1.32 -0.05 0.00 -0.26 0.00 0.00 58.87 57.83 3bvx n SER 416 Cb 0.32 0.43 0.16 0.00 -0.26 0.00 0.00 64.21 64.85 3bvx n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bvx h GLY 417 N 4.88 0.76 1.40 5.00 0.00 -1.18 -2.85 103.07 111.07 3bvx h GLY 417 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3bvx h GLY 417 CO 0.00 0.52 0.00 1.58 0.00 0.00 0.00 176.54 178.64 3bvx n TYR 418 N -4.17 0.00 0.33 5.60 0.18 -1.05 -1.20 117.16 116.86 3bvx n TYR 418 Ca 0.01 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.90 3bvx n TYR 418 Cb 0.36 -0.20 0.49 0.00 -0.38 0.00 0.00 39.34 39.61 3bvx n TYR 418 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3bvx n TYR 419 N -1.20 0.71 0.00 -3.48 0.53 -1.08 -3.84 117.16 108.80 3bvx n TYR 419 Ca 0.13 0.30 0.00 0.00 -1.02 0.00 0.00 57.90 57.32 3bvx n TYR 419 Cb 0.15 -0.99 0.00 0.00 -1.03 0.00 0.00 39.34 37.48 3bvx n TYR 419 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 3bvx n THR 420 N -2.17 0.00 -1.68 -0.72 -1.04 -0.34 -2.39 114.28 105.93 3bvx n THR 420 Ca 0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 3bvx n THR 420 Cb 0.17 -0.15 -0.01 0.00 -1.82 0.00 0.00 70.33 68.52 3bvx n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3bvx n SER 421 N -1.26 2.53 -3.42 8.00 7.64 -0.86 -2.73 113.62 123.52 3bvx n SER 421 Ca 0.00 1.20 -0.20 0.00 1.01 0.00 0.00 58.87 60.88 3bvx n SER 421 Cb 0.16 -1.46 0.05 0.00 -1.01 0.00 0.00 64.21 61.96 3bvx n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bvx n ARG 422 N 0.55 -1.69 0.27 1.43 3.00 -1.26 -4.03 116.66 114.93 3bvx n ARG 422 Ca 0.05 0.78 0.16 0.00 -0.01 0.00 0.00 57.85 58.83 3bvx n ARG 422 Cb 0.36 -5.00 0.62 0.00 0.00 0.00 0.00 32.46 28.44 3bvx n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3bvx h PRO 423 N -1.18 0.00 -0.61 5.56 0.13 -1.84 -2.50 132.00 131.56 3bvx h PRO 423 Ca -0.56 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.62 3bvx h PRO 423 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 3bvx h PRO 423 CO 0.44 0.02 0.34 -0.92 -0.23 0.00 0.00 178.00 177.65 3bvx h TYR 424 N 0.00 0.63 0.00 1.56 3.20 -1.90 -1.13 116.97 119.33 3bvx h TYR 424 Ca -0.00 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3bvx h TYR 424 Cb 0.58 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3bvx h TYR 424 CO 0.00 0.32 -0.70 0.45 -1.64 0.00 0.00 178.16 176.60 3bvx h HIS 425 N 0.65 0.00 -0.62 -3.82 3.86 -1.83 -0.62 115.15 112.78 3bvx h HIS 425 Ca 0.26 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3bvx h HIS 425 Cb 0.12 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 3bvx h HIS 425 CO -0.08 0.70 0.37 0.87 0.86 0.00 0.00 177.93 180.65 3bvx h LYS 426 N 0.00 0.85 -0.43 2.45 1.57 -1.20 -0.65 116.57 119.15 3bvx h LYS 426 Ca -0.01 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3bvx h LYS 426 Cb 1.51 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3bvx h LYS 426 CO 0.09 0.61 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.41 3bvx h ARG 427 N 0.84 0.82 -0.73 3.15 9.65 -0.97 -3.02 114.38 124.12 3bvx h ARG 427 Ca 0.22 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3bvx h ARG 427 Cb -0.01 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 3bvx h ARG 427 CO -0.04 0.93 0.48 1.98 2.80 0.00 0.00 179.97 186.12 3bvx h MET 428 N 0.65 0.86 -0.70 0.20 4.05 -0.87 -1.83 114.93 117.29 3bvx h MET 428 Ca 0.11 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 3bvx h MET 428 Cb 0.61 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.16 3bvx h MET 428 CO 0.04 0.57 0.38 0.22 0.23 0.00 0.00 176.91 178.35 3bvx h ASP 429 N 0.88 0.55 -0.48 1.39 1.82 -0.99 0.08 116.42 119.67 3bvx h ASP 429 Ca 0.29 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.92 3bvx h ASP 429 Cb 0.06 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 3bvx h ASP 429 CO -0.08 0.34 0.10 0.03 -1.61 0.00 0.00 179.24 178.02 3bvx h ARG 430 N 0.68 0.78 0.05 0.28 2.47 -1.34 0.12 114.38 117.42 3bvx h ARG 430 Ca 0.32 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3bvx h ARG 430 Cb 0.25 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3bvx h ARG 430 CO -0.21 0.77 -0.02 0.28 0.56 0.00 0.00 179.97 181.35 3bvx h VAL 431 N 0.65 1.01 -0.30 2.04 2.07 -0.92 -2.39 116.25 118.42 3bvx h VAL 431 Ca 0.15 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 3bvx h VAL 431 Cb 0.36 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3bvx h VAL 431 CO 0.01 0.05 -0.12 0.25 0.02 0.00 0.00 177.57 177.77 3bvx h LEU 432 N -0.14 0.48 -0.52 2.57 5.85 -0.90 -1.47 115.31 121.19 3bvx h LEU 432 Ca -0.01 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3bvx h LEU 432 Cb 0.12 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 3bvx h LEU 432 CO 0.01 0.64 -0.04 -0.03 -0.34 0.00 0.00 178.44 178.69 3bvx h MET 433 N 0.46 0.08 -0.26 1.25 4.05 -0.44 0.64 114.93 120.71 3bvx h MET 433 Ca 0.09 -0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.31 3bvx h MET 433 Cb 0.49 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 3bvx h MET 433 CO 0.03 0.05 -0.60 1.25 0.23 0.00 0.00 176.91 177.87 3bvx h HIS 434 N 0.08 1.10 0.00 1.39 -0.00 -0.92 -2.39 115.15 114.41 3bvx h HIS 434 Ca 0.26 -0.41 -0.10 0.00 -0.00 0.00 0.00 60.37 60.12 3bvx h HIS 434 Cb 0.40 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 3bvx h HIS 434 CO -0.36 1.25 -0.49 1.88 -0.00 0.00 0.00 177.93 180.21 3bvx h TYR 435 N 0.65 0.00 -0.18 5.26 0.99 -0.76 0.83 116.97 123.77 3bvx h TYR 435 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3bvx h TYR 435 Cb 1.21 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.93 3bvx h TYR 435 CO 0.08 0.49 0.04 0.28 -0.00 0.00 0.00 178.16 179.05 3bvx h VAL 436 N 0.00 1.20 -0.39 -2.88 2.07 -0.84 0.43 116.25 115.84 3bvx h VAL 436 Ca -0.00 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3bvx h VAL 436 Cb 0.99 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3bvx h VAL 436 CO 0.06 0.20 0.12 -0.09 0.02 0.00 0.00 177.57 177.88 3bvx h ARG 437 N 0.09 0.26 -0.44 1.57 2.43 -1.07 -0.62 114.38 116.62 3bvx h ARG 437 Ca 0.06 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3bvx h ARG 437 Cb 0.26 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3bvx h ARG 437 CO 0.00 0.17 -0.17 0.00 -1.51 0.00 0.00 179.97 178.46 3bvx h ALA 438 N 1.26 0.88 -0.50 2.80 0.00 -0.66 -0.56 119.26 122.48 3bvx h ALA 438 Ca 0.18 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3bvx h ALA 438 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bvx h ALA 438 CO -0.20 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.53 3bvx h ALA 439 N 1.07 0.69 -0.37 0.00 0.00 -0.63 0.55 119.26 120.57 3bvx h ALA 439 Ca 0.11 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3bvx h ALA 439 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3bvx h ALA 439 CO 0.05 0.63 -0.32 0.93 0.00 0.00 0.00 179.25 180.54 3bvx h GLU 440 N 0.84 0.82 0.03 0.00 5.08 -0.99 -2.25 114.58 118.12 3bvx h GLU 440 Ca 0.12 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3bvx h GLU 440 Cb 0.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3bvx h GLU 440 CO 0.06 1.03 -0.02 1.98 -1.00 0.00 0.00 179.01 181.06 3bvx h MET 441 N 0.69 -0.04 -0.85 2.33 4.05 -0.98 -1.95 114.93 118.18 3bvx h MET 441 Ca 0.07 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 3bvx h MET 441 Cb 0.88 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.64 3bvx h MET 441 CO 0.08 0.48 0.56 -0.07 0.23 0.00 0.00 176.91 178.18 3bvx h LEU 442 N -0.58 0.93 0.00 3.39 3.38 -0.92 -1.86 115.31 119.64 3bvx h LEU 442 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bvx h LEU 442 Cb 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3bvx h LEU 442 CO 0.01 0.65 -0.23 -1.54 0.09 0.00 0.00 178.44 177.41 3bvx n SER 443 N -4.43 0.35 0.22 -0.43 3.41 -0.85 -3.78 113.62 108.10 3bvx n SER 443 Ca 0.11 0.23 0.09 0.00 -0.26 0.00 0.00 58.87 59.04 3bvx n SER 443 Cb 0.08 -0.22 0.45 0.00 -0.26 0.00 0.00 64.21 64.26 3bvx n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bvx h ALA 444 N 2.87 1.04 0.00 7.33 0.00 -0.51 -3.19 119.26 126.80 3bvx h ALA 444 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3bvx h ALA 444 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3bvx h ALA 444 CO 0.00 0.32 -0.07 -1.49 0.00 0.00 0.00 179.25 178.01 3bvx h TRP 445 N 0.00 0.00 -2.67 0.00 4.06 -1.65 -3.43 115.95 112.25 3bvx h TRP 445 Ca -0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 3bvx h TRP 445 Cb 0.75 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.76 3bvx h TRP 445 CO 0.00 0.07 -0.77 -1.01 -3.56 0.00 0.00 178.44 173.17 3bvx s HIS 446 N -4.42 2.10 0.27 0.49 3.76 -1.21 -5.08 115.29 111.20 3bvx s HIS 446 Ca -0.04 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.21 3bvx s HIS 446 Cb 0.14 -0.96 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 3bvx s HIS 446 CO 0.58 0.55 0.89 -1.12 -0.85 0.00 0.00 174.74 174.79 3bvx s SER 447 N -3.21 7.38 -0.02 1.40 0.01 -1.26 -4.99 113.70 113.00 3bvx s SER 447 Ca 0.25 1.78 0.08 0.00 1.31 0.00 0.00 55.95 59.36 3bvx s SER 447 Cb -0.05 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 3bvx s SER 447 CO 0.11 0.04 -0.25 0.26 0.41 0.00 0.00 173.24 173.81 3bvx s TRP 448 N -1.44 2.28 0.53 2.43 0.52 -1.26 -5.04 118.94 116.96 3bvx s TRP 448 Ca 0.45 -0.47 -0.21 0.00 0.02 0.00 0.00 56.10 55.89 3bvx s TRP 448 Cb -0.21 -1.47 -0.06 0.00 -1.15 0.00 0.00 33.47 30.58 3bvx s TRP 448 CO 0.26 -0.06 1.20 -3.47 0.02 0.00 0.00 176.95 174.89 3bvx n ASP 449 N 2.53 1.97 0.31 2.95 -0.08 -1.26 -4.39 116.55 118.58 3bvx n ASP 449 Ca -0.16 0.95 0.17 0.00 -1.51 0.00 0.00 54.79 54.24 3bvx n ASP 449 Cb 0.51 -1.49 0.98 0.00 2.34 0.00 0.00 41.12 43.46 3bvx n ASP 449 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3bvx h GLY 450 N 1.24 0.00 2.00 0.27 0.00 -2.01 -0.57 103.07 104.00 3bvx h GLY 450 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3bvx h GLY 450 CO 0.56 0.00 -0.02 -0.33 0.00 0.00 0.00 176.54 176.74 3bvx h MET 451 N 0.00 0.00 0.00 4.80 2.86 -2.05 -1.70 114.93 118.84 3bvx h MET 451 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3bvx h MET 451 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3bvx h MET 451 CO 0.00 0.02 0.00 0.00 1.06 0.00 0.00 176.91 177.99 3bvx n ALA 452 N -2.18 1.97 -2.12 6.32 0.00 -0.22 -4.91 120.51 119.37 3bvx n ALA 452 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3bvx n ALA 452 Cb 0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3bvx n ALA 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bvx n ARG 453 N -2.18 -1.53 0.01 0.00 1.74 -0.64 -4.89 116.66 109.17 3bvx n ARG 453 Ca 0.04 1.05 -0.13 0.00 -0.77 0.00 0.00 57.85 58.04 3bvx n ARG 453 Cb 0.32 -5.57 -0.09 0.00 -1.02 0.00 0.00 32.46 26.10 3bvx n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bvx h ILE 454 N 0.00 1.25 -0.65 0.55 1.08 -1.84 -1.88 117.51 116.02 3bvx h ILE 454 Ca -0.45 -0.88 -0.02 0.00 -0.39 0.00 0.00 64.86 63.11 3bvx h ILE 454 Cb 1.34 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.89 3bvx h ILE 454 CO 0.57 0.22 0.31 -0.33 -0.69 0.00 0.00 178.15 178.24 3bvx h GLU 455 N -0.42 0.93 -0.00 2.37 3.07 -1.94 -0.79 114.58 117.79 3bvx h GLU 455 Ca -0.00 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3bvx h GLU 455 Cb 0.40 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3bvx h GLU 455 CO 0.01 0.72 0.00 1.49 -1.40 0.00 0.00 179.01 179.83 3bvx h GLU 456 N 0.92 0.01 -0.62 2.33 4.81 -1.95 -0.01 114.58 120.07 3bvx h GLU 456 Ca 0.23 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3bvx h GLU 456 Cb 0.10 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3bvx h GLU 456 CO -0.03 0.08 0.23 0.00 -0.73 0.00 0.00 179.01 178.56 3bvx h ARG 457 N -0.07 0.93 -0.39 1.92 -0.00 -1.03 -1.84 114.38 113.90 3bvx h ARG 457 Ca 0.00 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.98 59.17 3bvx h ARG 457 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.89 3bvx h ARG 457 CO -0.00 0.80 -0.27 -0.07 0.00 0.00 0.00 179.97 180.43 3bvx h LEU 458 N 0.87 0.86 -0.56 3.04 3.38 -1.05 -1.21 115.31 120.64 3bvx h LEU 458 Ca 0.20 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3bvx h LEU 458 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3bvx h LEU 458 CO -0.01 1.07 0.31 -0.08 0.09 0.00 0.00 178.44 179.82 3bvx h GLU 459 N 0.71 0.77 -0.28 1.13 4.81 -0.84 0.42 114.58 121.30 3bvx h GLU 459 Ca 0.09 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3bvx h GLU 459 Cb 0.81 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3bvx h GLU 459 CO 0.07 0.58 0.15 0.37 -0.73 0.00 0.00 179.01 179.45 3bvx h GLN 460 N 0.75 0.30 -0.33 1.92 4.15 -1.10 -0.72 115.11 120.08 3bvx h GLN 460 Ca 0.20 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3bvx h GLN 460 Cb 0.03 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3bvx h GLN 460 CO -0.03 0.20 0.14 0.00 -1.93 0.00 0.00 178.83 177.21 3bvx h ALA 461 N 1.14 0.42 -0.90 3.38 0.00 -0.89 -0.94 119.26 121.47 3bvx h ALA 461 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bvx h ALA 461 Cb 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3bvx h ALA 461 CO -0.07 0.01 0.51 0.00 0.00 0.00 0.00 179.25 179.69 3bvx h ARG 462 N 0.39 1.25 -0.08 0.00 3.08 -0.79 -2.10 114.38 116.12 3bvx h ARG 462 Ca 0.11 -0.14 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 3bvx h ARG 462 Cb 0.15 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3bvx h ARG 462 CO -0.01 0.90 -0.73 0.00 -1.07 0.00 0.00 179.97 179.06 3bvx h ARG 463 N 1.26 0.44 -0.07 0.04 3.08 -0.71 0.07 114.38 118.50 3bvx h ARG 463 Ca 0.32 -0.36 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 3bvx h ARG 463 Cb 0.01 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3bvx h ARG 463 CO -0.05 1.00 -0.77 0.93 -1.07 0.00 0.00 179.97 180.00 3bvx h GLU 464 N 0.30 0.42 -0.44 0.04 4.39 -1.03 -0.16 114.58 118.10 3bvx h GLU 464 Ca -0.03 -0.36 -0.14 0.00 0.34 0.00 0.00 59.36 59.17 3bvx h GLU 464 Cb 1.32 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 3bvx h GLU 464 CO 0.13 1.01 -0.27 1.25 -1.16 0.00 0.00 179.01 179.97 3bvx h LEU 465 N 0.28 0.99 -0.71 1.33 5.85 -1.36 -2.64 115.31 119.04 3bvx h LEU 465 Ca -0.04 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3bvx h LEU 465 Cb 1.36 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3bvx h LEU 465 CO 0.13 1.18 0.40 0.28 -0.34 0.00 0.00 178.44 180.10 3bvx h SER 466 N 0.81 0.88 -0.96 1.25 0.02 -0.84 -2.41 113.55 112.30 3bvx h SER 466 Ca 0.09 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3bvx h SER 466 Cb 0.84 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 3bvx h SER 466 CO 0.07 0.71 0.63 0.25 -1.14 0.00 0.00 176.83 177.36 3bvx h LEU 467 N 0.98 1.10 -1.08 5.07 5.85 -0.89 -1.82 115.31 124.52 3bvx h LEU 467 Ca 0.25 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3bvx h LEU 467 Cb 0.01 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3bvx h LEU 467 CO -0.04 0.80 0.00 0.15 -0.34 0.00 0.00 178.44 179.01 3bvx h PHE 468 N 1.30 0.00 0.00 1.25 3.57 -1.07 -1.65 116.94 120.35 3bvx h PHE 468 Ca 0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3bvx h PHE 468 Cb -0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3bvx h PHE 468 CO 0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 3bvx n GLN 469 N -2.52 0.03 -1.44 1.11 1.13 -0.68 -0.85 117.38 114.16 3bvx n GLN 469 Ca 0.01 0.19 -0.40 0.00 -1.94 0.00 0.00 57.00 54.86 3bvx n GLN 469 Cb 0.23 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.09 3bvx n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3bvx n HIS 470 N -1.47 -0.73 1.25 1.08 -0.00 -0.62 -0.74 115.22 113.99 3bvx n HIS 470 Ca 0.05 0.55 0.06 0.00 -0.00 0.00 0.00 57.72 58.37 3bvx n HIS 470 Cb 0.19 -1.96 0.35 0.00 -0.00 0.00 0.00 29.99 28.58 3bvx n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3bvx n HIS 471 N -1.13 0.00 -0.06 1.57 1.44 -1.16 -0.54 115.22 115.35 3bvx n HIS 471 Ca 0.11 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.84 3bvx n HIS 471 Cb 0.42 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.59 3bvx n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3bvx n ASP 472 N -0.80 2.30 0.00 4.39 8.00 -1.26 -4.65 116.55 124.53 3bvx n ASP 472 Ca 0.09 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3bvx n ASP 472 Cb 0.04 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3bvx n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bvx n GLY 473 N -0.13 0.01 0.31 0.44 0.00 0.30 -3.24 105.19 102.89 3bvx n GLY 473 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3bvx n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3bvx h ILE 474 N 0.00 0.58 0.00 -0.61 2.10 -0.99 0.06 117.51 118.65 3bvx h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3bvx h ILE 474 Cb 0.00 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 3bvx h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3bvx h THR 475 N 0.00 0.00 -0.63 2.19 1.35 -1.82 -3.43 112.91 110.57 3bvx h THR 475 Ca 0.05 -0.19 -0.12 0.00 -0.55 0.00 0.00 66.41 65.60 3bvx h THR 475 Cb 0.26 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 3bvx h THR 475 CO -0.00 0.00 -0.14 0.61 -0.25 0.00 0.00 175.52 175.74 3bvx n GLY 476 N -0.59 0.40 0.89 5.82 0.00 0.01 -4.40 105.19 107.33 3bvx n GLY 476 Ca -0.01 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.37 3bvx n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bvx n THR 477 N -3.54 2.32 -3.66 2.61 -2.24 -1.25 -4.58 114.28 103.94 3bvx n THR 477 Ca -0.07 -2.12 -0.20 0.00 -2.27 0.00 0.00 64.05 59.40 3bvx n THR 477 Cb 0.41 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3bvx n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bvx s ALA 478 N -2.94 4.09 0.78 6.98 0.00 -1.20 -4.86 121.76 124.61 3bvx s ALA 478 Ca 0.42 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 3bvx s ALA 478 Cb 0.35 -1.61 0.07 0.00 0.00 0.00 0.00 23.12 21.92 3bvx s ALA 478 CO 0.06 0.05 1.14 0.15 0.00 0.00 0.00 175.76 177.17 3bvx s LYS 479 N -4.09 1.99 0.23 0.00 1.02 -0.10 -4.69 119.74 114.10 3bvx s LYS 479 Ca 0.41 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.82 3bvx s LYS 479 Cb -0.09 -1.84 0.41 0.00 -0.52 0.00 0.00 37.83 35.79 3bvx s LYS 479 CO 0.30 -1.89 1.70 1.15 -0.92 0.00 0.00 175.35 175.69 3bvx h THR 480 N -0.89 0.59 0.00 2.17 2.02 -1.94 0.92 112.91 115.78 3bvx h THR 480 Ca -0.45 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3bvx h THR 480 Cb 1.26 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3bvx h THR 480 CO 0.49 0.06 -0.10 1.12 0.37 0.00 0.00 175.52 177.46 3bvx h HIS 481 N 0.31 0.00 0.07 3.16 2.07 -1.96 -1.38 115.15 117.43 3bvx h HIS 481 Ca 0.38 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.62 3bvx h HIS 481 Cb 0.61 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.62 3bvx h HIS 481 CO -0.23 0.10 -1.15 0.28 -3.07 0.00 0.00 177.93 173.85 3bvx h VAL 482 N 0.00 1.30 -0.97 6.12 2.07 -1.20 -2.37 116.25 121.21 3bvx h VAL 482 Ca -0.00 -2.42 0.04 0.00 0.82 0.00 0.00 66.70 65.14 3bvx h VAL 482 Cb 0.68 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 3bvx h VAL 482 CO 0.01 0.74 0.63 0.58 0.02 0.00 0.00 177.57 179.55 3bvx h VAL 483 N 0.30 1.16 -0.90 2.57 2.07 -0.81 -0.31 116.25 120.33 3bvx h VAL 483 Ca -0.16 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3bvx h VAL 483 Cb 1.82 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3bvx h VAL 483 CO 0.22 0.22 0.49 0.58 0.02 0.00 0.00 177.57 179.10 3bvx h VAL 484 N 1.22 1.26 -0.44 2.57 2.07 -1.19 -0.22 116.25 121.52 3bvx h VAL 484 Ca 0.39 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3bvx h VAL 484 Cb 0.02 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3bvx h VAL 484 CO -0.13 0.30 0.22 -0.78 0.02 0.00 0.00 177.57 177.20 3bvx h ASP 485 N 1.27 0.58 -0.77 0.57 -0.00 -0.74 -0.16 116.42 117.15 3bvx h ASP 485 Ca 0.32 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3bvx h ASP 485 Cb 0.04 -0.15 -0.04 0.00 -0.00 0.00 0.00 39.33 39.18 3bvx h ASP 485 CO -0.05 0.53 0.48 1.88 -0.00 0.00 0.00 179.24 182.08 3bvx h TYR 486 N 0.58 1.00 -0.48 0.28 0.99 -0.59 -0.98 116.97 117.78 3bvx h TYR 486 Ca 0.15 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 3bvx h TYR 486 Cb 0.10 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 37.48 3bvx h TYR 486 CO -0.01 0.66 0.08 1.49 -0.00 0.00 0.00 178.16 180.38 3bvx h GLU 487 N 1.05 0.79 -0.67 4.88 4.81 -0.64 -0.06 114.58 124.75 3bvx h GLU 487 Ca 0.28 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3bvx h GLU 487 Cb -0.06 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3bvx h GLU 487 CO -0.05 0.79 0.34 1.96 -0.73 0.00 0.00 179.01 181.32 3bvx h GLN 488 N 0.66 0.95 -0.34 1.92 4.20 -0.75 0.95 115.11 122.69 3bvx h GLN 488 Ca 0.15 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3bvx h GLN 488 Cb 0.38 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3bvx h GLN 488 CO 0.01 0.74 0.20 0.00 -0.67 0.00 0.00 178.83 179.11 3bvx h ARG 489 N 0.92 0.47 -0.11 1.46 3.08 -0.95 -1.33 114.38 117.93 3bvx h ARG 489 Ca 0.23 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 3bvx h ARG 489 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3bvx h ARG 489 CO -0.03 0.37 -0.33 0.52 -1.07 0.00 0.00 179.97 179.43 3bvx h MET 490 N 0.44 0.21 -0.59 0.04 2.86 -0.50 -0.97 114.93 116.42 3bvx h MET 490 Ca 0.12 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3bvx h MET 490 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3bvx h MET 490 CO -0.02 0.52 0.16 1.96 1.06 0.00 0.00 176.91 180.59 3bvx h GLN 491 N 0.19 0.93 -0.49 1.72 4.20 -0.47 0.46 115.11 121.65 3bvx h GLN 491 Ca 0.02 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 3bvx h GLN 491 Cb 0.67 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3bvx h GLN 491 CO 0.05 0.85 0.02 0.93 -0.67 0.00 0.00 178.83 180.01 3bvx h GLU 492 N 0.84 0.79 -0.63 1.46 4.39 -0.83 -1.86 114.58 118.74 3bvx h GLU 492 Ca 0.19 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3bvx h GLU 492 Cb 0.33 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3bvx h GLU 492 CO -0.00 0.78 0.05 0.00 -1.16 0.00 0.00 179.01 178.69 3bvx h ALA 493 N 1.28 0.85 -0.76 3.43 0.00 -0.70 -0.57 119.26 122.77 3bvx h ALA 493 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3bvx h ALA 493 Cb 0.42 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3bvx h ALA 493 CO 0.02 0.65 0.40 -0.07 0.00 0.00 0.00 179.25 180.25 3bvx h LEU 494 N 0.99 0.96 -0.84 0.00 3.38 -0.51 -0.38 115.31 118.91 3bvx h LEU 494 Ca 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3bvx h LEU 494 Cb 0.50 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3bvx h LEU 494 CO 0.02 0.80 0.43 0.11 0.09 0.00 0.00 178.44 179.89 3bvx h LYS 495 N 1.06 1.20 -0.46 1.13 1.57 -1.00 0.23 116.57 120.29 3bvx h LYS 495 Ca 0.27 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3bvx h LYS 495 Cb 0.06 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3bvx h LYS 495 CO -0.04 0.90 0.19 0.00 -0.57 0.00 0.00 179.45 179.93 3bvx h ALA 496 N 1.23 0.60 -0.50 3.86 0.00 -0.68 -1.43 119.26 122.34 3bvx h ALA 496 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3bvx h ALA 496 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3bvx h ALA 496 CO -0.04 0.20 0.22 0.00 0.00 0.00 0.00 179.25 179.64 3bvx h GLN 498 N 0.66 0.62 -0.18 0.00 4.15 -0.77 0.72 115.11 120.31 3bvx h GLN 498 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3bvx h GLN 498 Cb 0.15 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3bvx h GLN 498 CO -0.02 0.41 0.12 1.98 -1.93 0.00 0.00 178.83 179.40 3bvx h MET 499 N 0.64 0.24 -0.28 1.69 4.05 -0.92 -0.25 114.93 120.10 3bvx h MET 499 Ca 0.27 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 3bvx h MET 499 Cb 0.14 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3bvx h MET 499 CO -0.16 0.16 0.07 0.28 0.23 0.00 0.00 176.91 177.50 3bvx h VAL 500 N 0.25 1.21 -0.39 -5.77 2.07 -1.03 -1.93 116.25 110.65 3bvx h VAL 500 Ca 0.07 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3bvx h VAL 500 Cb -0.03 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3bvx h VAL 500 CO -0.01 0.23 0.26 0.24 0.02 0.00 0.00 177.57 178.30 3bvx h MET 501 N 0.29 0.51 -0.07 1.57 2.07 -0.62 -1.41 114.93 117.27 3bvx h MET 501 Ca 0.09 -0.03 -0.18 0.00 -2.07 0.00 0.00 59.70 57.51 3bvx h MET 501 Cb 0.28 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 3bvx h MET 501 CO 0.00 0.33 -0.72 -0.56 1.07 0.00 0.00 176.91 177.03 3bvx h GLN 502 N 0.52 0.36 -0.83 1.72 -0.00 -0.95 -0.49 115.11 115.44 3bvx h GLN 502 Ca 0.15 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.48 3bvx h GLN 502 Cb -0.05 0.06 -0.04 0.00 -0.00 0.00 0.00 27.48 27.45 3bvx h GLN 502 CO -0.04 0.94 0.42 1.96 -0.00 0.00 0.00 178.83 182.11 3bvx h GLN 503 N 0.25 1.17 -0.53 0.06 1.08 -1.26 -1.89 115.11 113.99 3bvx h GLN 503 Ca -0.03 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 56.92 3bvx h GLN 503 Cb 1.29 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 3bvx h GLN 503 CO 0.12 0.89 -0.03 0.77 -0.95 0.00 0.00 178.83 179.63 3bvx h SER 504 N 1.17 0.94 -0.37 1.46 0.02 -0.75 -1.82 113.55 114.19 3bvx h SER 504 Ca 0.29 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3bvx h SER 504 Cb 0.08 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3bvx h SER 504 CO -0.04 1.03 0.18 0.58 -1.14 0.00 0.00 176.83 177.44 3bvx h VAL 505 N 0.82 1.17 -0.51 2.27 2.07 -0.94 0.57 116.25 121.69 3bvx h VAL 505 Ca 0.15 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.27 3bvx h VAL 505 Cb 0.57 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3bvx h VAL 505 CO 0.03 0.18 0.13 0.22 0.02 0.00 0.00 177.57 178.15 3bvx h TYR 506 N 0.46 0.21 -0.48 1.57 3.20 -1.21 -1.50 116.97 119.23 3bvx h TYR 506 Ca 0.13 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3bvx h TYR 506 Cb 0.12 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3bvx h TYR 506 CO -0.01 0.02 -0.07 -0.09 -1.64 0.00 0.00 178.16 176.36 3bvx h ARG 507 N 0.27 0.89 0.00 1.82 2.43 -0.80 -2.13 114.38 116.86 3bvx h ARG 507 Ca 0.26 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3bvx h ARG 507 Cb 0.34 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3bvx h ARG 507 CO -0.32 0.97 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.86 3bvx h LEU 508 N 0.74 0.00 -2.98 3.80 3.38 -0.52 -3.27 115.31 116.46 3bvx h LEU 508 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3bvx h LEU 508 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3bvx h LEU 508 CO 0.04 0.18 -0.01 0.18 0.09 0.00 0.00 178.44 178.92 3bvx n LEU 509 N -3.29 2.27 -4.38 1.67 4.77 -0.60 -4.85 117.00 112.60 3bvx n LEU 509 Ca 0.01 -2.91 -0.31 0.00 -0.03 0.00 0.00 56.01 52.76 3bvx n LEU 509 Cb 0.44 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 3bvx n LEU 509 CO 0.33 0.67 -0.53 -0.89 -1.33 0.00 0.00 177.39 175.64 3bvx s THR 510 N -2.59 2.43 0.00 -5.08 2.01 -0.82 -0.41 115.64 111.19 3bvx s THR 510 Ca 0.27 -1.06 -0.36 0.00 0.31 0.00 0.00 61.69 60.85 3bvx s THR 510 Cb 0.24 -1.92 -0.15 0.00 0.01 0.00 0.00 72.50 70.68 3bvx s THR 510 CO 0.03 0.52 1.57 1.17 -0.69 0.00 0.00 174.62 177.22 3bvx n LYS 511 N 2.18 1.59 -0.24 4.92 4.81 -0.15 -4.72 118.16 126.56 3bvx n LYS 511 Ca -0.16 0.58 0.08 0.00 -0.87 0.00 0.00 58.31 57.93 3bvx n LYS 511 Cb 0.52 -2.30 0.34 0.00 0.02 0.00 0.00 35.03 33.61 3bvx n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3bvx h PRO 512 N 6.22 0.76 0.00 1.64 0.11 -1.92 0.18 132.00 138.99 3bvx h PRO 512 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bvx h PRO 512 Cb 1.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3bvx h PRO 512 CO 0.87 0.50 0.00 -1.13 -0.21 0.00 0.00 178.00 178.03 3bvx n SER 513 N -4.51 0.00 -0.07 -2.05 3.41 -1.26 -3.23 113.62 105.90 3bvx n SER 513 Ca 0.14 -0.79 -0.08 0.00 -0.26 0.00 0.00 58.87 57.88 3bvx n SER 513 Cb 0.31 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 3bvx n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3bvx n ILE 514 N -1.04 1.00 -1.67 -1.33 5.41 -0.04 -5.02 119.36 116.67 3bvx n ILE 514 Ca 0.21 -0.60 -0.53 0.00 1.00 0.00 0.00 62.75 62.82 3bvx n ILE 514 Cb 0.12 -0.65 -0.06 0.00 -0.71 0.00 0.00 39.64 38.34 3bvx n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3bvx n TYR 515 N -2.57 1.99 -3.12 1.39 9.36 -0.65 -4.92 117.16 118.64 3bvx n TYR 515 Ca -0.24 0.43 -0.20 0.00 3.32 0.00 0.00 57.90 61.21 3bvx n TYR 515 Cb 0.97 -2.47 -0.05 0.00 -0.63 0.00 0.00 39.34 37.15 3bvx n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3bvx n SER 516 N 4.70 -0.88 -4.77 2.98 2.88 -1.26 -5.05 113.62 112.22 3bvx n SER 516 Ca 0.23 -2.74 -0.38 0.00 -1.33 0.00 0.00 58.87 54.65 3bvx n SER 516 Cb 0.19 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.66 3bvx n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3bvx s PRO 517 N -0.35 4.23 -0.35 -1.46 0.04 -1.26 -5.02 135.00 130.83 3bvx s PRO 517 Ca 0.34 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 3bvx s PRO 517 Cb 0.13 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.99 3bvx s PRO 517 CO -0.15 -0.12 0.14 0.34 0.04 0.00 0.00 177.00 177.25 3bvx s ASP 518 N -1.31 5.45 0.00 6.66 -1.08 -1.26 -5.01 116.67 120.12 3bvx s ASP 518 Ca 0.55 -1.04 0.16 0.00 -0.52 0.00 0.00 52.55 51.69 3bvx s ASP 518 Cb -0.26 -1.93 0.84 0.00 -1.46 0.00 0.00 42.92 40.11 3bvx s ASP 518 CO 0.33 -0.33 1.42 0.49 0.52 0.00 0.00 175.17 177.60 3bvx n PHE 519 N 4.89 0.00 1.00 -5.34 3.72 -1.26 -1.51 117.46 118.96 3bvx n PHE 519 Ca -0.12 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.38 3bvx n PHE 519 Cb 0.45 -0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 3bvx n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3bvx n SER 520 N -1.20 1.00 -4.87 4.37 3.41 -1.26 -4.99 113.62 110.08 3bvx n SER 520 Ca 0.09 -0.94 -0.31 0.00 -0.26 0.00 0.00 58.87 57.45 3bvx n SER 520 Cb 0.10 0.89 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 3bvx n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3bvx s PHE 521 N -2.97 3.45 -0.60 7.33 5.36 -0.57 -5.03 117.98 124.95 3bvx s PHE 521 Ca 0.09 1.10 -0.16 0.00 -0.96 0.00 0.00 56.93 57.00 3bvx s PHE 521 Cb 0.16 -2.47 0.15 0.00 -0.34 0.00 0.00 43.02 40.52 3bvx s PHE 521 CO 0.83 -0.07 0.56 -1.12 -1.46 0.00 0.00 175.22 173.96 3bvx s SER 522 N -2.97 6.31 0.19 6.13 0.01 -1.26 -4.89 113.70 117.22 3bvx s SER 522 Ca 0.52 -1.98 0.01 0.00 1.31 0.00 0.00 55.95 55.81 3bvx s SER 522 Cb -0.10 -2.21 0.08 0.00 0.21 0.00 0.00 66.02 64.00 3bvx s SER 522 CO 0.28 -0.80 1.44 1.88 0.41 0.00 0.00 173.24 176.46 3bvx h TYR 523 N 8.65 0.42 -3.89 2.43 -1.99 -1.94 -3.42 116.97 117.23 3bvx h TYR 523 Ca -0.21 -0.19 -0.28 0.00 2.00 0.00 0.00 58.73 60.05 3bvx h TYR 523 Cb 1.09 -0.06 -0.19 0.00 2.00 0.00 0.00 36.73 39.56 3bvx h TYR 523 CO 0.80 0.94 -0.73 -0.06 -0.00 0.00 0.00 178.16 179.11 3bvx s PHE 524 N -3.52 0.83 0.09 4.88 0.40 -1.26 -0.37 117.98 119.02 3bvx s PHE 524 Ca -0.04 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.72 3bvx s PHE 524 Cb 0.11 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 3bvx s PHE 524 CO 0.83 -0.08 -0.08 0.95 0.70 0.00 0.00 175.22 177.54 3bvx s THR 525 N -2.10 3.48 0.37 0.64 -4.23 -0.65 -4.86 115.64 108.29 3bvx s THR 525 Ca -0.01 -1.18 -0.25 0.00 -1.18 0.00 0.00 61.69 59.07 3bvx s THR 525 Cb -0.05 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.08 3bvx s THR 525 CO -0.01 0.15 1.05 -0.76 -0.54 0.00 0.00 174.62 174.51 3bvx s LEU 526 N -2.12 4.24 -0.19 4.79 1.43 -1.26 -0.80 118.68 124.76 3bvx s LEU 526 Ca 0.21 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3bvx s LEU 526 Cb -0.11 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 42.07 3bvx s LEU 526 CO 0.14 -0.38 -0.17 -0.62 0.23 0.00 0.00 176.35 175.54 3bvx s ASP 527 N -1.44 3.39 -0.19 2.29 2.15 -0.02 -4.93 116.67 117.93 3bvx s ASP 527 Ca 0.54 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 52.88 3bvx s ASP 527 Cb -0.24 -1.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.89 3bvx s ASP 527 CO 0.30 -0.02 -0.13 -0.62 -0.17 0.00 0.00 175.17 174.54 3bvx s ASP 528 N 1.31 3.24 0.23 -0.34 -1.08 -1.26 -4.19 116.67 114.57 3bvx s ASP 528 Ca 0.04 -0.78 0.25 0.00 -0.52 0.00 0.00 52.55 51.54 3bvx s ASP 528 Cb -0.14 -1.28 0.90 0.00 -1.46 0.00 0.00 42.92 40.94 3bvx s ASP 528 CO -0.11 -0.10 1.75 -1.20 0.52 0.00 0.00 175.17 176.02 3bvx n SER 529 N 4.68 0.73 0.00 -0.34 7.64 -1.26 -3.94 113.62 121.13 3bvx n SER 529 Ca -0.16 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.33 3bvx n SER 529 Cb 0.48 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3bvx n SER 529 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bvx n ARG 530 N -2.23 0.97 -3.69 1.43 1.74 -1.26 -4.52 116.66 109.10 3bvx n ARG 530 Ca 0.04 -0.87 -0.11 0.00 -0.77 0.00 0.00 57.85 56.14 3bvx n ARG 530 Cb 0.34 -0.86 -0.12 0.00 -1.02 0.00 0.00 32.46 30.80 3bvx n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3bvx s TRP 531 N -0.42 -0.55 -1.01 -1.55 -0.11 -1.25 -4.04 118.94 110.01 3bvx s TRP 531 Ca 0.00 1.16 0.20 0.00 1.22 0.00 0.00 56.10 58.68 3bvx s TRP 531 Cb 0.00 0.17 0.84 0.00 -1.50 0.00 0.00 33.47 32.98 3bvx s TRP 531 CO 0.00 -0.35 1.63 -2.30 -4.62 0.00 0.00 176.95 171.31 3bvx n PRO 532 N 4.67 0.00 0.00 5.86 -0.02 -1.26 -4.71 135.00 139.54 3bvx n PRO 532 Ca -0.18 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3bvx n PRO 532 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3bvx n PRO 532 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bvx n GLY 533 N 0.53 0.77 3.80 -1.23 0.00 -1.26 -4.26 105.19 103.55 3bvx n GLY 533 Ca 0.05 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 3bvx n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bvx s SER 534 N -0.90 6.91 0.00 1.61 0.01 -1.26 0.63 113.70 120.70 3bvx s SER 534 Ca 0.00 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.08 3bvx s SER 534 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3bvx s SER 534 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 3bvx n GLY 535 N -0.12 1.27 0.12 3.44 0.00 -1.26 -4.82 105.19 103.81 3bvx n GLY 535 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3bvx n GLY 535 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3bvx n VAL 536 N -2.00 1.52 -3.78 1.61 3.14 0.21 -4.94 118.33 114.09 3bvx n VAL 536 Ca 0.00 -0.18 -0.13 0.00 -2.96 0.00 0.00 64.34 61.07 3bvx n VAL 536 Cb 0.00 -2.05 -0.11 0.00 -1.06 0.00 0.00 33.84 30.61 3bvx n VAL 536 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3bvx s GLU 537 N -2.61 0.33 -1.46 1.45 2.12 -0.72 -4.96 118.70 112.84 3bvx s GLU 537 Ca -0.34 0.39 -0.08 0.00 0.36 0.00 0.00 54.97 55.30 3bvx s GLU 537 Cb 0.11 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.68 3bvx s GLU 537 CO 0.47 -0.04 2.65 -3.47 -0.54 0.00 0.00 175.26 174.33 3bvx n ASP 538 N 2.92 8.35 0.05 -1.70 -0.08 -1.26 -4.58 116.55 120.24 3bvx n ASP 538 Ca -0.13 -2.88 -0.00 0.00 -1.51 0.00 0.00 54.79 50.27 3bvx n ASP 538 Cb 0.58 -1.45 -0.07 0.00 2.34 0.00 0.00 41.12 42.52 3bvx n ASP 538 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3bvx h SER 539 N 4.80 0.00 -3.02 1.67 4.64 -1.97 -3.46 113.55 116.21 3bvx h SER 539 Ca 0.78 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.56 3bvx h SER 539 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3bvx h SER 539 CO 1.62 0.60 0.74 -0.13 -0.87 0.00 0.00 176.83 178.79 3bvx s ARG 540 N -2.91 4.33 0.29 4.77 0.52 -1.26 -4.97 118.95 119.71 3bvx s ARG 540 Ca -0.02 1.84 -0.28 0.00 -0.52 0.00 0.00 55.73 56.75 3bvx s ARG 540 Cb 0.08 -3.52 -0.09 0.00 0.52 0.00 0.00 34.95 31.94 3bvx s ARG 540 CO 0.80 -0.48 1.00 0.95 0.02 0.00 0.00 175.30 177.60 3bvx s THR 541 N 2.08 3.87 -0.07 0.02 -4.23 -1.26 -5.04 115.64 111.01 3bvx s THR 541 Ca 0.60 1.77 -0.18 0.00 -1.18 0.00 0.00 61.69 62.70 3bvx s THR 541 Cb -0.29 -4.08 -0.05 0.00 1.34 0.00 0.00 72.50 69.42 3bvx s THR 541 CO 0.25 0.33 0.49 -0.89 -0.54 0.00 0.00 174.62 174.27 3bvx s THR 542 N -1.31 5.10 -0.27 3.99 2.01 -1.26 -4.41 115.64 119.49 3bvx s THR 542 Ca 0.46 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 3bvx s THR 542 Cb -0.26 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.42 3bvx s THR 542 CO 0.33 0.39 1.27 -0.63 -0.69 0.00 0.00 174.62 175.29 3bvx s ILE 543 N 0.13 4.21 -0.39 1.82 1.01 0.18 -4.93 121.20 123.23 3bvx s ILE 543 Ca 0.27 1.40 -0.15 0.00 0.00 0.00 0.00 60.65 62.16 3bvx s ILE 543 Cb -0.16 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.18 3bvx s ILE 543 CO 0.12 -0.39 0.31 -0.63 0.00 0.00 0.00 174.94 174.35 3bvx s ILE 544 N 4.10 5.24 0.20 2.92 1.01 -1.26 -1.38 121.20 132.01 3bvx s ILE 544 Ca 0.55 -0.44 0.11 0.00 0.00 0.00 0.00 60.65 60.86 3bvx s ILE 544 Cb -0.18 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3bvx s ILE 544 CO 0.20 -0.23 -0.18 -0.76 0.00 0.00 0.00 174.94 173.97 3bvx s LEU 545 N 1.78 2.65 0.00 2.97 1.43 -1.26 -4.74 118.68 121.50 3bvx s LEU 545 Ca 0.07 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3bvx s LEU 545 Cb -0.18 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3bvx s LEU 545 CO 0.11 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3bvx n GLY 546 N 0.10 1.45 0.30 -3.19 0.00 -0.01 -4.80 105.19 99.04 3bvx n GLY 546 Ca -0.11 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3bvx n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bvx h GLU 547 N 0.00 0.19 -0.58 1.61 4.81 -1.97 -0.23 114.58 118.42 3bvx h GLU 547 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3bvx h GLU 547 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3bvx h GLU 547 CO 0.00 0.13 0.00 -0.25 -0.73 0.00 0.00 179.01 178.16 3bvx n ASP 548 N -4.49 5.03 0.00 1.04 8.00 -1.26 -4.65 116.55 120.22 3bvx n ASP 548 Ca 0.02 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.84 3bvx n ASP 548 Cb 0.19 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3bvx n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bvx n ILE 549 N 0.77 0.00 -3.26 0.53 3.06 -0.54 -5.12 119.36 114.80 3bvx n ILE 549 Ca 0.26 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.54 3bvx n ILE 549 Cb 1.00 -0.32 -0.02 0.00 0.54 0.00 0.00 39.64 40.84 3bvx n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3bvx s LEU 550 N -4.39 -0.79 0.34 9.51 2.96 -0.21 -4.93 118.68 121.17 3bvx s LEU 550 Ca 0.00 0.69 0.18 0.00 -0.22 0.00 0.00 54.13 54.79 3bvx s LEU 550 Cb 0.00 1.74 0.28 0.00 0.50 0.00 0.00 46.19 48.71 3bvx s LEU 550 CO 0.00 -0.15 1.55 -0.65 -1.32 0.00 0.00 176.35 175.78 3bvx h PRO 551 N 7.86 0.00 -3.41 0.98 0.11 -1.91 0.01 132.00 135.64 3bvx h PRO 551 Ca -0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3bvx h PRO 551 Cb 1.15 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 3bvx h PRO 551 CO 0.06 0.35 -0.04 -1.54 -0.21 0.00 0.00 178.00 176.63 3bvx s SER 552 N -6.36 -0.20 -0.09 -2.05 1.04 -1.26 -1.00 113.70 103.78 3bvx s SER 552 Ca 0.04 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 3bvx s SER 552 Cb 0.08 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.78 3bvx s SER 552 CO 0.71 -1.02 0.22 -0.75 0.98 0.00 0.00 173.24 173.38 3bvx s LYS 553 N -3.89 0.19 0.16 4.02 2.47 -0.28 -4.97 119.74 117.44 3bvx s LYS 553 Ca 0.10 0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 54.68 3bvx s LYS 553 Cb -0.00 -0.10 -0.07 0.00 -1.46 0.00 0.00 37.83 36.20 3bvx s LYS 553 CO -0.03 -0.14 0.97 -1.01 0.16 0.00 0.00 175.35 175.30 3bvx s HIS 554 N 1.07 3.85 0.11 4.03 3.76 -1.26 -0.65 115.29 126.20 3bvx s HIS 554 Ca -0.08 1.82 0.06 0.00 -0.15 0.00 0.00 55.06 56.72 3bvx s HIS 554 Cb -0.09 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 3bvx s HIS 554 CO -0.07 0.20 -0.16 0.14 -0.85 0.00 0.00 174.74 174.00 3bvx s VAL 555 N -0.43 1.41 -0.03 -0.90 -7.23 -0.14 -1.63 120.40 111.45 3bvx s VAL 555 Ca 0.45 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3bvx s VAL 555 Cb -0.25 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.26 3bvx s VAL 555 CO 0.31 -0.26 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.08 3bvx s VAL 556 N -1.64 0.65 -0.04 1.32 1.01 0.05 -0.50 120.40 121.25 3bvx s VAL 556 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3bvx s VAL 556 Cb -0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3bvx s VAL 556 CO 0.03 0.22 -0.04 -0.04 0.00 0.00 0.00 175.10 175.27 3bvx s MET 557 N 0.36 2.73 -0.04 2.72 -1.94 -0.07 -0.42 119.30 122.64 3bvx s MET 557 Ca -0.05 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.38 3bvx s MET 557 Cb -0.09 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 3bvx s MET 557 CO 0.00 0.64 -0.13 -1.58 -0.01 0.00 0.00 175.02 173.94 3bvx s HIS 558 N -0.93 2.72 -0.30 -0.03 5.04 -0.15 -1.23 115.29 120.41 3bvx s HIS 558 Ca 0.15 -0.14 0.03 0.00 -1.54 0.00 0.00 55.06 53.56 3bvx s HIS 558 Cb -0.11 -1.61 0.09 0.00 0.04 0.00 0.00 32.58 30.98 3bvx s HIS 558 CO 0.05 0.23 0.01 1.21 -2.34 0.00 0.00 174.74 173.90 3bvx s ASN 559 N -0.89 4.45 0.27 9.88 2.47 -0.28 -0.87 114.94 129.98 3bvx s ASN 559 Ca 0.12 -1.78 0.25 0.00 0.42 0.00 0.00 52.86 51.88 3bvx s ASN 559 Cb -0.11 -1.43 0.91 0.00 -1.45 0.00 0.00 41.25 39.18 3bvx s ASN 559 CO 0.02 -0.33 1.75 0.00 -3.72 0.00 0.00 177.10 174.83 3bvx h THR 560 N 6.63 0.00 -3.94 -5.21 1.03 -1.86 -1.80 112.91 107.76 3bvx h THR 560 Ca -0.10 -0.40 -0.46 0.00 -0.01 0.00 0.00 66.41 65.44 3bvx h THR 560 Cb 1.03 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 69.36 3bvx h THR 560 CO 0.48 0.00 0.33 -0.76 -0.01 0.00 0.00 175.52 175.56 3bvx s LEU 561 N -4.74 4.16 -0.15 0.00 1.43 -1.26 -4.51 118.68 113.61 3bvx s LEU 561 Ca 0.07 1.75 -0.02 0.00 -1.03 0.00 0.00 54.13 54.89 3bvx s LEU 561 Cb 0.10 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 3bvx s LEU 561 CO 0.50 -0.19 2.56 -0.81 0.23 0.00 0.00 176.35 178.64 3bvx n PRO 562 N 0.03 1.69 -3.86 1.29 -0.04 -1.26 -1.23 135.00 131.63 3bvx n PRO 562 Ca 0.04 -1.04 -0.10 0.00 -0.04 0.00 0.00 63.50 62.36 3bvx n PRO 562 Cb 0.52 -1.60 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 3bvx n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3bvx s HIS 563 N -0.47 0.07 0.33 0.54 -3.43 -1.26 -0.84 115.29 110.23 3bvx s HIS 563 Ca 0.35 -0.27 -0.28 0.00 -0.80 0.00 0.00 55.06 54.06 3bvx s HIS 563 Cb 0.21 -0.04 -0.12 0.00 -1.43 0.00 0.00 32.58 31.19 3bvx s HIS 563 CO -0.04 -0.40 1.33 0.91 -2.00 0.00 0.00 174.74 174.54 3bvx n TRP 564 N 0.82 2.36 -3.87 0.38 7.02 -1.26 -3.96 117.44 118.93 3bvx n TRP 564 Ca -0.19 0.52 -0.14 0.00 -1.02 0.00 0.00 57.50 56.67 3bvx n TRP 564 Cb 0.58 -2.44 -0.15 0.00 -2.42 0.00 0.00 31.31 26.89 3bvx n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3bvx s ARG 565 N -1.73 0.06 -0.09 -0.99 3.52 -0.69 -4.95 118.95 114.08 3bvx s ARG 565 Ca 0.57 0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 3bvx s ARG 565 Cb -0.56 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 3bvx s ARG 565 CO 0.61 -0.05 -0.00 -1.21 -0.81 0.00 0.00 175.30 173.83 3bvx s GLU 566 N 0.41 2.99 -0.16 5.12 2.02 -1.26 -0.70 118.70 127.12 3bvx s GLU 566 Ca -0.04 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 3bvx s GLU 566 Cb -0.05 -2.79 0.04 0.00 0.10 0.00 0.00 34.13 31.43 3bvx s GLU 566 CO -0.01 0.69 0.46 -1.14 0.02 0.00 0.00 175.26 175.27 3bvx s GLN 567 N -0.84 0.55 0.33 1.61 0.74 -0.66 -4.98 119.66 116.41 3bvx s GLN 567 Ca 0.13 0.59 -0.28 0.00 0.05 0.00 0.00 55.36 55.85 3bvx s GLN 567 Cb -0.11 0.27 -0.10 0.00 1.10 0.00 0.00 33.01 34.16 3bvx s GLN 567 CO 0.02 -0.07 1.26 -0.51 -0.55 0.00 0.00 175.29 175.44 3bvx s LEU 568 N 0.15 4.41 0.06 3.68 1.43 -1.26 -1.01 118.68 126.14 3bvx s LEU 568 Ca -0.01 2.59 0.06 0.00 -1.03 0.00 0.00 54.13 55.75 3bvx s LEU 568 Cb -0.03 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3bvx s LEU 568 CO 0.01 -0.51 -0.18 0.68 0.23 0.00 0.00 176.35 176.59 3bvx s VAL 569 N -1.17 1.41 0.06 -1.59 -7.23 0.14 -4.90 120.40 107.12 3bvx s VAL 569 Ca 0.49 -1.25 0.07 0.00 -1.81 0.00 0.00 61.98 59.48 3bvx s VAL 569 Cb -0.38 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 3bvx s VAL 569 CO 0.50 -0.01 -0.19 1.51 -0.31 0.00 0.00 175.10 176.60 3bvx s ASP 570 N -1.47 2.25 0.09 4.85 -4.77 -1.26 -1.58 116.67 114.78 3bvx s ASP 570 Ca 0.04 -0.56 0.03 0.00 -3.30 0.00 0.00 52.55 48.75 3bvx s ASP 570 Cb -0.09 -0.15 -0.04 0.00 -1.09 0.00 0.00 42.92 41.55 3bvx s ASP 570 CO 0.02 0.08 -0.08 -0.36 0.70 0.00 0.00 175.17 175.53 3bvx s PHE 571 N -0.95 0.92 0.04 2.11 0.40 -0.21 -4.92 117.98 115.37 3bvx s PHE 571 Ca 0.05 -0.72 -0.21 0.00 -0.60 0.00 0.00 56.93 55.46 3bvx s PHE 571 Cb -0.09 -0.52 -0.06 0.00 0.51 0.00 0.00 43.02 42.86 3bvx s PHE 571 CO 0.02 -0.07 0.60 0.71 0.70 0.00 0.00 175.22 177.19 3bvx s TYR 572 N -2.66 3.76 0.07 0.36 1.51 -1.26 -0.81 117.35 118.32 3bvx s TYR 572 Ca 0.05 1.28 0.02 0.00 -1.01 0.00 0.00 57.07 57.40 3bvx s TYR 572 Cb -0.01 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 3bvx s TYR 572 CO -0.02 0.46 -0.07 0.14 -1.11 0.00 0.00 175.55 174.96 3bvx s VAL 573 N -0.66 0.60 -2.09 0.71 -7.23 0.48 -0.65 120.40 111.56 3bvx s VAL 573 Ca 0.31 -1.59 0.14 0.00 -1.81 0.00 0.00 61.98 59.03 3bvx s VAL 573 Cb -0.19 -1.24 0.35 0.00 0.56 0.00 0.00 36.38 35.85 3bvx s VAL 573 CO 0.19 -0.69 1.36 -1.54 -0.31 0.00 0.00 175.10 174.11 3bvx n SER 574 N 0.57 1.55 -3.83 4.85 3.41 -0.48 -0.92 113.62 118.77 3bvx n SER 574 Ca -0.16 -1.87 -0.12 0.00 -0.26 0.00 0.00 58.87 56.46 3bvx n SER 574 Cb 0.58 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 3bvx n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bvx s SER 575 N -1.22 -0.08 0.05 4.04 0.15 -1.26 -4.70 113.70 110.67 3bvx s SER 575 Ca 0.25 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.16 3bvx s SER 575 Cb 0.13 0.28 0.98 0.00 -1.71 0.00 0.00 66.02 65.70 3bvx s SER 575 CO 0.18 -0.35 1.78 -0.81 1.20 0.00 0.00 173.24 175.25 3bvx n PRO 576 N 1.63 0.07 -3.16 5.44 -0.04 -1.26 -4.45 135.00 133.22 3bvx n PRO 576 Ca -0.21 0.05 -0.44 0.00 -0.04 0.00 0.00 63.50 62.86 3bvx n PRO 576 Cb 0.56 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3bvx n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bvx n PHE 577 N -1.68 4.29 -4.46 0.54 0.99 -1.26 -4.93 117.46 110.94 3bvx n PHE 577 Ca 0.06 -3.43 -0.20 0.00 -0.00 0.00 0.00 57.45 53.88 3bvx n PHE 577 Cb 0.36 -1.64 -0.15 0.00 -1.00 0.00 0.00 39.48 37.05 3bvx n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3bvx s VAL 578 N -1.38 0.86 0.20 -4.37 1.01 -1.26 -0.67 120.40 114.80 3bvx s VAL 578 Ca 0.33 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3bvx s VAL 578 Cb -0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 3bvx s VAL 578 CO -0.01 0.25 -0.13 -0.94 0.00 0.00 0.00 175.10 174.26 3bvx s SER 579 N -0.07 2.51 -0.05 3.32 1.04 -0.42 -4.78 113.70 115.25 3bvx s SER 579 Ca 0.01 -1.03 0.06 0.00 0.48 0.00 0.00 55.95 55.47 3bvx s SER 579 Cb -0.06 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 3bvx s SER 579 CO 0.00 -0.20 -0.23 -0.69 0.98 0.00 0.00 173.24 173.10 3bvx s VAL 580 N -3.01 2.28 0.17 5.02 1.01 -1.26 -0.99 120.40 123.62 3bvx s VAL 580 Ca 0.22 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3bvx s VAL 580 Cb -0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3bvx s VAL 580 CO 0.07 0.58 -0.12 0.42 0.00 0.00 0.00 175.10 176.04 3bvx s THR 581 N -0.40 1.44 0.60 3.92 -4.23 -0.54 -1.05 115.64 115.39 3bvx s THR 581 Ca 0.04 -2.12 -0.05 0.00 -1.18 0.00 0.00 61.69 58.37 3bvx s THR 581 Cb -0.12 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.81 3bvx s THR 581 CO 0.02 -0.67 0.89 1.51 -0.54 0.00 0.00 174.62 175.83 3bvx s ASP 582 N -3.22 5.43 -0.04 3.99 3.84 -0.46 -1.09 116.67 125.12 3bvx s ASP 582 Ca 0.19 0.56 0.00 0.00 -0.00 0.00 0.00 52.55 53.30 3bvx s ASP 582 Cb 0.01 -1.50 0.05 0.00 -1.38 0.00 0.00 42.92 40.10 3bvx s ASP 582 CO 0.04 -1.15 1.09 -0.11 -0.00 0.00 0.00 175.17 175.04 3bvx n LEU 583 N -2.59 3.34 -0.41 2.11 7.94 -1.24 0.33 117.00 126.49 3bvx n LEU 583 Ca 0.05 -1.69 0.04 0.00 -1.11 0.00 0.00 56.01 53.31 3bvx n LEU 583 Cb 0.58 -0.54 0.08 0.00 0.53 0.00 0.00 43.42 44.08 3bvx n LEU 583 CO 0.51 0.55 0.51 0.00 -1.11 0.00 0.00 177.39 177.86 3bvx n ALA 584 N 0.39 2.26 -1.03 1.96 0.00 -1.26 -4.84 120.51 117.99 3bvx n ALA 584 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 53.44 52.58 3bvx n ALA 584 Cb 0.59 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.74 3bvx n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bvx n ASN 585 N 0.32 -4.14 -4.70 0.00 5.15 0.98 -4.99 115.26 107.88 3bvx n ASN 585 Ca 0.07 0.03 -0.44 0.00 -0.60 0.00 0.00 54.58 53.64 3bvx n ASN 585 Cb 0.31 -1.74 -0.03 0.00 -0.53 0.00 0.00 39.78 37.79 3bvx n ASN 585 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3bvx n ASN 586 N -0.25 3.26 -4.76 1.20 3.02 -1.25 -4.82 115.26 111.65 3bvx n ASN 586 Ca -0.01 1.13 -0.38 0.00 -0.03 0.00 0.00 54.58 55.29 3bvx n ASN 586 Cb 0.20 -1.49 0.01 0.00 -0.61 0.00 0.00 39.78 37.89 3bvx n ASN 586 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3bvx s PRO 587 N -0.11 3.52 -0.11 3.52 0.02 -1.26 -1.36 135.00 139.22 3bvx s PRO 587 Ca 0.69 1.98 0.03 0.00 0.02 0.00 0.00 61.00 63.72 3bvx s PRO 587 Cb -0.59 -2.37 0.01 0.00 0.02 0.00 0.00 34.50 31.56 3bvx s PRO 587 CO 0.46 -0.80 -0.22 0.08 -0.33 0.00 0.00 177.00 176.19 3bvx s VAL 588 N -1.43 1.95 0.30 3.83 1.01 -0.21 -4.84 120.40 121.02 3bvx s VAL 588 Ca 0.66 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3bvx s VAL 588 Cb -0.34 -1.71 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 3bvx s VAL 588 CO 0.41 0.53 1.48 -0.70 0.00 0.00 0.00 175.10 176.82 3bvx s GLU 589 N 0.60 4.20 0.06 2.72 2.12 -1.26 -4.24 118.70 122.90 3bvx s GLU 589 Ca -0.13 2.43 -0.00 0.00 0.36 0.00 0.00 54.97 57.62 3bvx s GLU 589 Cb -0.17 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3bvx s GLU 589 CO 0.04 -0.47 -0.04 0.00 -0.54 0.00 0.00 175.26 174.25 3bvx s ALA 590 N -0.41 0.57 -0.04 6.30 0.00 -0.22 -4.25 121.76 123.71 3bvx s ALA 590 Ca 0.58 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3bvx s ALA 590 Cb -0.44 0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3bvx s ALA 590 CO 0.50 -0.33 -0.12 -1.14 0.00 0.00 0.00 175.76 174.67 3bvx s GLN 591 N -3.76 1.43 -0.10 0.00 0.74 -0.02 -1.16 119.66 116.78 3bvx s GLN 591 Ca 0.07 -0.42 -0.02 0.00 0.05 0.00 0.00 55.36 55.04 3bvx s GLN 591 Cb 0.07 -1.25 -0.03 0.00 1.10 0.00 0.00 33.01 32.90 3bvx s GLN 591 CO -0.09 0.11 -0.01 0.08 -0.55 0.00 0.00 175.29 174.84 3bvx s VAL 592 N 0.34 4.23 0.21 1.34 1.01 0.52 -0.31 120.40 127.75 3bvx s VAL 592 Ca -0.08 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3bvx s VAL 592 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3bvx s VAL 592 CO 0.02 0.59 -0.05 -0.44 0.00 0.00 0.00 175.10 175.21 3bvx s SER 593 N -0.67 2.01 0.89 3.32 0.01 -0.08 -1.72 113.70 117.45 3bvx s SER 593 Ca 0.11 -1.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.11 3bvx s SER 593 Cb -0.12 -0.03 0.12 0.00 0.21 0.00 0.00 66.02 66.20 3bvx s SER 593 CO 0.02 -0.41 1.10 -2.84 0.41 0.00 0.00 173.24 171.53 3bvx s PRO 594 N -3.79 1.34 -0.44 12.44 0.02 -1.26 -0.81 135.00 142.50 3bvx s PRO 594 Ca 0.25 0.65 -0.17 0.00 0.02 0.00 0.00 61.00 61.74 3bvx s PRO 594 Cb 0.04 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.76 3bvx s PRO 594 CO 0.07 -2.14 0.45 0.08 -0.33 0.00 0.00 177.00 175.13 3bvx s VAL 595 N -3.05 5.08 -0.15 3.83 1.01 -1.25 -4.46 120.40 121.41 3bvx s VAL 595 Ca 0.63 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 3bvx s VAL 595 Cb -0.17 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3bvx s VAL 595 CO 0.56 -0.49 0.09 0.26 0.00 0.00 0.00 175.10 175.51 3bvx s TRP 596 N 2.13 3.38 -0.17 5.22 0.52 -1.26 -1.18 118.94 127.58 3bvx s TRP 596 Ca 0.11 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.52 3bvx s TRP 596 Cb -0.18 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 3bvx s TRP 596 CO 0.12 0.42 -0.10 -1.12 0.02 0.00 0.00 176.95 176.30 3bvx s SER 597 N -0.30 2.91 0.11 2.95 0.01 -0.44 -4.96 113.70 113.97 3bvx s SER 597 Ca 0.10 -0.64 -0.21 0.00 1.31 0.00 0.00 55.95 56.50 3bvx s SER 597 Cb -0.12 -1.10 -0.07 0.00 0.21 0.00 0.00 66.02 64.94 3bvx s SER 597 CO 0.01 -0.12 0.64 0.26 0.41 0.00 0.00 173.24 174.44 3bvx s TRP 598 N 1.51 3.84 -0.03 2.43 0.52 -1.26 -1.05 118.94 124.90 3bvx s TRP 598 Ca 0.02 1.40 0.02 0.00 0.02 0.00 0.00 56.10 57.56 3bvx s TRP 598 Cb -0.14 -2.59 0.01 0.00 -1.15 0.00 0.00 33.47 29.59 3bvx s TRP 598 CO -0.09 0.56 -0.08 -1.01 0.02 0.00 0.00 176.95 176.35 3bvx s HIS 599 N -1.13 0.88 -0.51 -1.98 3.76 -0.42 -4.96 115.29 110.93 3bvx s HIS 599 Ca 0.31 -0.22 -0.23 0.00 -0.15 0.00 0.00 55.06 54.77 3bvx s HIS 599 Cb -0.21 -0.65 0.04 0.00 1.11 0.00 0.00 32.58 32.87 3bvx s HIS 599 CO 0.22 -0.11 0.84 -1.58 -0.85 0.00 0.00 174.74 173.25 3bvx s HIS 600 N 0.30 2.90 -0.47 1.40 2.46 -1.26 -1.59 115.29 119.03 3bvx s HIS 600 Ca -0.05 -0.05 -0.24 0.00 0.47 0.00 0.00 55.06 55.19 3bvx s HIS 600 Cb -0.09 -3.85 0.03 0.00 -0.13 0.00 0.00 32.58 28.53 3bvx s HIS 600 CO 0.00 -1.18 0.86 0.34 -2.47 0.00 0.00 174.74 172.29 3bvx s ASP 601 N 2.60 6.43 0.32 9.88 -1.08 0.18 -4.89 116.67 130.11 3bvx s ASP 601 Ca 0.28 -0.07 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 3bvx s ASP 601 Cb -0.14 -2.42 0.98 0.00 -1.46 0.00 0.00 42.92 39.89 3bvx s ASP 601 CO 0.19 -1.01 1.78 0.71 0.52 0.00 0.00 175.17 177.35 3bvx h THR 602 N 6.03 0.00 0.08 1.71 1.35 -1.95 0.25 112.91 120.38 3bvx h THR 602 Ca -0.25 -0.40 -0.23 0.00 -0.55 0.00 0.00 66.41 64.98 3bvx h THR 602 Cb 1.08 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 3bvx h THR 602 CO 1.01 0.00 -1.20 -0.07 -0.25 0.00 0.00 175.52 175.01 3bvx h LEU 603 N 0.00 0.25 -0.07 3.87 -0.00 -1.96 -3.37 115.31 114.03 3bvx h LEU 603 Ca 0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 3bvx h LEU 603 Cb 0.52 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3bvx h LEU 603 CO 0.00 1.51 -0.40 0.35 -0.00 0.00 0.00 178.44 179.90 3bvx n THR 604 N -4.11 0.00 -3.59 0.22 -2.24 -1.19 -4.94 114.28 98.42 3bvx n THR 604 Ca -0.24 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 3bvx n THR 604 Cb 0.80 0.18 0.08 0.00 -2.10 0.00 0.00 70.33 69.28 3bvx n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bvx n LYS 605 N -1.37 -7.50 -4.27 -0.78 4.76 0.88 -5.00 118.16 104.88 3bvx n LYS 605 Ca 0.07 0.81 -0.15 0.00 -2.87 0.00 0.00 58.31 56.17 3bvx n LYS 605 Cb 0.33 -5.84 -0.10 0.00 -1.84 0.00 0.00 35.03 27.58 3bvx n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3bvx s THR 606 N -3.33 1.18 -0.29 -0.18 -4.23 -1.16 -4.99 115.64 102.63 3bvx s THR 606 Ca 0.47 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 3bvx s THR 606 Cb -0.21 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.67 3bvx s THR 606 CO 0.74 -0.65 0.07 -0.63 -0.54 0.00 0.00 174.62 173.62 3bvx s ILE 607 N -3.32 3.92 0.07 2.99 1.01 -1.26 -0.65 121.20 123.96 3bvx s ILE 607 Ca 0.20 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 3bvx s ILE 607 Cb 0.03 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.49 3bvx s ILE 607 CO 0.03 0.10 0.22 -1.38 0.00 0.00 0.00 174.94 173.90 3bvx s HIS 608 N 1.50 0.06 0.16 3.97 -3.43 -0.62 -4.36 115.29 112.57 3bvx s HIS 608 Ca 0.03 -0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 53.79 3bvx s HIS 608 Cb -0.17 -0.01 -0.07 0.00 -1.43 0.00 0.00 32.58 30.90 3bvx s HIS 608 CO 0.02 -0.51 0.51 -1.25 -2.00 0.00 0.00 174.74 171.51 3bvx s PRO 609 N -3.28 3.86 0.06 -0.38 0.04 -1.26 -1.30 135.00 132.73 3bvx s PRO 609 Ca 0.00 0.33 0.08 0.00 0.04 0.00 0.00 61.00 61.45 3bvx s PRO 609 Cb 0.02 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3bvx s PRO 609 CO -0.08 0.44 -0.23 -0.65 0.04 0.00 0.00 177.00 176.52 3bvx s GLN 610 N -2.28 1.44 0.05 4.56 -1.52 -0.22 -4.94 119.66 116.75 3bvx s GLN 610 Ca 0.40 -1.06 0.02 0.00 -1.95 0.00 0.00 55.36 52.77 3bvx s GLN 610 Cb -0.13 -1.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.98 3bvx s GLN 610 CO 0.20 0.41 0.06 0.20 -0.25 0.00 0.00 175.29 175.90 3bvx s GLY 611 N -1.41 1.98 0.43 3.09 0.00 -1.26 -1.33 107.32 108.82 3bvx s GLY 611 Ca 0.09 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 3bvx s GLY 611 CO 0.03 -0.92 1.10 -0.45 0.00 0.00 0.00 173.10 172.85 3bvx s SER 612 N -2.10 6.51 -0.01 1.64 0.15 -0.33 -4.89 113.70 114.67 3bvx s SER 612 Ca 0.26 2.15 0.15 0.00 0.70 0.00 0.00 55.95 59.21 3bvx s SER 612 Cb -0.12 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 62.04 3bvx s SER 612 CO 0.18 -0.67 1.37 0.35 1.20 0.00 0.00 173.24 175.66 3bvx n THR 613 N -0.26 1.11 -0.79 6.45 -2.24 -1.26 -4.51 114.28 112.78 3bvx n THR 613 Ca 0.06 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3bvx n THR 613 Cb 0.49 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3bvx n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3bvx n THR 614 N 0.83 0.00 -4.33 4.28 -2.24 -1.26 -4.19 114.28 107.37 3bvx n THR 614 Ca 0.17 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.76 3bvx n THR 614 Cb 0.53 1.54 -0.13 0.00 -2.10 0.00 0.00 70.33 70.17 3bvx n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bvx s LYS 615 N 0.00 0.86 0.07 -0.78 1.02 -1.26 -4.47 119.74 115.17 3bvx s LYS 615 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3bvx s LYS 615 Cb 0.00 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 3bvx s LYS 615 CO 0.00 0.21 -0.04 0.71 -0.92 0.00 0.00 175.35 175.31 3bvx s TYR 616 N -0.78 0.66 -0.19 3.18 1.51 -0.10 -3.97 117.35 117.65 3bvx s TYR 616 Ca 0.01 -1.01 -0.06 0.00 -1.01 0.00 0.00 57.07 55.00 3bvx s TYR 616 Cb -0.07 -0.44 -0.03 0.00 -0.11 0.00 0.00 41.96 41.31 3bvx s TYR 616 CO 0.01 -0.29 0.03 1.03 -1.11 0.00 0.00 175.55 175.21 3bvx s ARG 617 N -3.87 3.77 -0.09 -0.62 0.52 0.01 -0.39 118.95 118.28 3bvx s ARG 617 Ca 0.09 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3bvx s ARG 617 Cb 0.07 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 3bvx s ARG 617 CO -0.08 0.13 -0.07 -1.50 0.02 0.00 0.00 175.30 173.80 3bvx s ILE 618 N 0.72 3.72 -0.05 1.52 2.07 0.01 -0.90 121.20 128.29 3bvx s ILE 618 Ca 0.01 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.83 3bvx s ILE 618 Cb -0.14 -2.54 -0.00 0.00 0.13 0.00 0.00 42.46 39.91 3bvx s ILE 618 CO 0.02 0.58 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.83 3bvx s ILE 619 N -0.54 1.42 0.19 2.00 1.01 0.58 -1.05 121.20 124.81 3bvx s ILE 619 Ca 0.08 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 3bvx s ILE 619 Cb -0.12 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 41.15 3bvx s ILE 619 CO 0.02 0.41 0.51 0.72 0.00 0.00 0.00 174.94 176.60 3bvx s PHE 620 N 0.08 -0.10 -0.25 3.97 -0.12 -0.61 -0.84 117.98 120.11 3bvx s PHE 620 Ca -0.05 -0.25 -0.22 0.00 -0.05 0.00 0.00 56.93 56.37 3bvx s PHE 620 Cb -0.12 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 3bvx s PHE 620 CO 0.02 -0.90 0.69 0.21 -0.05 0.00 0.00 175.22 175.19 3bvx s LYS 621 N -3.88 4.12 0.02 1.99 2.20 -1.26 -0.68 119.74 122.26 3bvx s LYS 621 Ca 0.09 0.67 -0.13 0.00 -0.36 0.00 0.00 55.97 56.23 3bvx s LYS 621 Cb -0.01 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 3bvx s LYS 621 CO -0.03 -0.46 0.40 0.00 -0.36 0.00 0.00 175.35 174.91 3bvx s ALA 622 N 2.62 3.70 -0.19 3.13 0.00 -0.18 -4.92 121.76 125.93 3bvx s ALA 622 Ca 0.29 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3bvx s ALA 622 Cb -0.15 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.63 3bvx s ALA 622 CO 0.08 0.50 -0.17 0.50 0.00 0.00 0.00 175.76 176.67 3bvx s ARG 623 N -1.28 2.97 -0.03 0.00 3.52 -1.26 -1.65 118.95 121.22 3bvx s ARG 623 Ca 0.26 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 3bvx s ARG 623 Cb -0.16 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 3bvx s ARG 623 CO 0.14 -0.24 -0.14 0.08 -0.81 0.00 0.00 175.30 174.33 3bvx s VAL 624 N 1.30 1.18 1.02 7.11 1.01 0.12 -4.80 120.40 127.35 3bvx s VAL 624 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3bvx s VAL 624 Cb -0.14 -1.01 0.20 0.00 0.00 0.00 0.00 36.38 35.44 3bvx s VAL 624 CO -0.11 0.34 1.08 -2.84 0.00 0.00 0.00 175.10 173.57 3bvx s PRO 625 N -0.11 0.20 0.23 2.72 0.02 -1.26 -1.70 135.00 135.10 3bvx s PRO 625 Ca 0.01 0.98 -0.32 0.00 0.02 0.00 0.00 61.00 61.69 3bvx s PRO 625 Cb -0.08 -1.67 -0.12 0.00 0.02 0.00 0.00 34.50 32.64 3bvx s PRO 625 CO 0.01 -3.01 1.64 -2.30 -0.33 0.00 0.00 177.00 173.01 3bvx n PRO 626 N -4.44 2.64 -4.15 5.54 -0.02 -1.25 -1.92 135.00 131.39 3bvx n PRO 626 Ca 0.06 0.95 -0.35 0.00 -2.02 0.00 0.00 63.50 62.14 3bvx n PRO 626 Cb 0.54 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3bvx n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3bvx n MET 627 N 3.16 -3.64 -1.90 -0.52 2.81 -0.36 -4.75 117.12 111.92 3bvx n MET 627 Ca 0.13 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 3bvx n MET 627 Cb 0.35 -5.14 0.00 0.00 -0.71 0.00 0.00 33.22 27.71 3bvx n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bvx n GLY 628 N -1.49 4.14 3.06 3.03 0.00 -0.81 -4.83 105.19 108.29 3bvx n GLY 628 Ca 0.05 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 3bvx n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bvx s LEU 629 N 0.00 2.21 -0.04 0.99 1.43 -0.28 -1.12 118.68 121.86 3bvx s LEU 629 Ca 0.00 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3bvx s LEU 629 Cb 0.00 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 45.99 3bvx s LEU 629 CO 0.00 -0.12 0.10 0.00 0.23 0.00 0.00 176.35 176.56 3bvx s ALA 630 N -1.10 -0.20 -0.10 4.21 0.00 -0.36 -1.42 121.76 122.80 3bvx s ALA 630 Ca -0.06 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 3bvx s ALA 630 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3bvx s ALA 630 CO 0.01 -0.09 0.01 0.99 0.00 0.00 0.00 175.76 176.67 3bvx s THR 631 N 0.56 4.35 0.23 0.00 2.01 -0.46 -0.89 115.64 121.44 3bvx s THR 631 Ca -0.04 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3bvx s THR 631 Cb -0.06 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 3bvx s THR 631 CO -0.02 0.59 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.16 3bvx s TYR 632 N -0.73 1.59 -0.06 4.92 1.51 0.34 -3.63 117.35 121.29 3bvx s TYR 632 Ca 0.12 -0.87 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 3bvx s TYR 632 Cb -0.12 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3bvx s TYR 632 CO 0.02 0.02 -0.16 0.08 -1.11 0.00 0.00 175.55 174.40 3bvx s VAL 633 N -3.34 1.43 -0.20 0.71 1.01 -0.25 -0.96 120.40 118.79 3bvx s VAL 633 Ca 0.27 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3bvx s VAL 633 Cb 0.05 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3bvx s VAL 633 CO 0.08 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 174.90 3bvx s LEU 634 N 0.34 3.68 -0.04 3.92 1.43 0.18 -1.46 118.68 126.73 3bvx s LEU 634 Ca -0.11 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3bvx s LEU 634 Cb -0.14 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 3bvx s LEU 634 CO 0.04 0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.70 3bvx s THR 635 N 0.71 1.24 0.47 5.49 2.01 -0.16 -1.12 115.64 124.28 3bvx s THR 635 Ca 0.03 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 3bvx s THR 635 Cb -0.13 -1.07 -0.08 0.00 0.01 0.00 0.00 72.50 71.23 3bvx s THR 635 CO 0.02 0.36 0.91 -0.51 -0.69 0.00 0.00 174.62 174.71 3bvx s ILE 636 N 0.06 4.60 0.29 1.82 2.07 -0.17 -1.30 121.20 128.58 3bvx s ILE 636 Ca -0.03 1.05 0.04 0.00 -1.41 0.00 0.00 60.65 60.30 3bvx s ILE 636 Cb -0.10 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.74 3bvx s ILE 636 CO 0.02 -0.60 0.22 -0.94 -1.91 0.00 0.00 174.94 171.73 3bvx s SER 637 N -3.02 1.21 0.02 4.50 1.04 0.16 -4.95 113.70 112.67 3bvx s SER 637 Ca 0.57 -1.63 0.27 0.00 0.48 0.00 0.00 55.95 55.64 3bvx s SER 637 Cb -0.10 0.49 0.92 0.00 0.10 0.00 0.00 66.02 67.43 3bvx s SER 637 CO 0.30 -0.98 1.71 0.47 0.98 0.00 0.00 173.24 175.72 3bvx n ASP 638 N -1.11 0.26 -2.74 7.02 10.43 -1.26 -4.72 116.55 124.42 3bvx n ASP 638 Ca 0.05 0.23 -0.10 0.00 2.57 0.00 0.00 54.79 57.54 3bvx n ASP 638 Cb 0.64 -0.23 0.01 0.00 1.84 0.00 0.00 41.12 43.37 3bvx n ASP 638 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3bvx n SER 639 N -1.59 -1.86 -4.69 -2.24 3.41 -1.26 -5.08 113.62 100.31 3bvx n SER 639 Ca 0.06 -2.59 -0.52 0.00 -0.26 0.00 0.00 58.87 55.56 3bvx n SER 639 Cb 0.35 3.19 -0.06 0.00 -0.26 0.00 0.00 64.21 67.43 3bvx n SER 639 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bvx n LYS 640 N -0.52 1.72 -2.07 4.33 5.02 -1.26 -4.83 118.16 120.55 3bvx n LYS 640 Ca -0.05 0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 56.53 3bvx n LYS 640 Cb 0.56 -2.40 0.01 0.00 -0.02 0.00 0.00 35.03 33.18 3bvx n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3bvx s PRO 641 N 3.53 3.26 0.37 1.97 0.02 -1.26 -4.96 135.00 137.93 3bvx s PRO 641 Ca 0.94 1.32 0.05 0.00 0.02 0.00 0.00 61.00 63.33 3bvx s PRO 641 Cb -0.86 -2.02 0.73 0.00 0.02 0.00 0.00 34.50 32.38 3bvx s PRO 641 CO 0.56 -0.87 1.99 1.49 -0.33 0.00 0.00 177.00 179.84 3bvx h GLU 642 N 0.59 0.59 -0.38 5.54 4.81 -1.97 -2.98 114.58 120.77 3bvx h GLU 642 Ca -0.48 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3bvx h GLU 642 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3bvx h GLU 642 CO 0.57 0.46 0.00 0.72 -0.73 0.00 0.00 179.01 180.03 3bvx n HIS 643 N -4.40 1.33 -4.72 0.92 8.25 -1.26 -4.89 115.22 110.45 3bvx n HIS 643 Ca 0.03 -0.81 -0.33 0.00 -0.26 0.00 0.00 57.72 56.36 3bvx n HIS 643 Cb 0.12 -0.37 -0.16 0.00 1.12 0.00 0.00 29.99 30.70 3bvx n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3bvx s THR 644 N -2.72 2.52 0.40 1.59 2.01 -1.13 -1.05 115.64 117.25 3bvx s THR 644 Ca 0.46 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.70 3bvx s THR 644 Cb 0.36 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 3bvx s THR 644 CO 0.12 0.53 0.35 -0.94 -0.69 0.00 0.00 174.62 173.99 3bvx s SER 645 N 0.65 5.10 -0.06 3.53 1.04 -0.31 -4.67 113.70 118.98 3bvx s SER 645 Ca -0.09 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.69 3bvx s SER 645 Cb -0.16 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.29 3bvx s SER 645 CO 0.02 -0.58 -0.18 -0.31 0.98 0.00 0.00 173.24 173.18 3bvx s TYR 646 N -2.43 1.87 0.46 5.02 1.51 -1.26 -0.36 117.35 122.17 3bvx s TYR 646 Ca 0.46 -0.64 -0.22 0.00 -1.01 0.00 0.00 57.07 55.66 3bvx s TYR 646 Cb -0.04 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 3bvx s TYR 646 CO 0.27 -0.25 1.12 0.00 -1.11 0.00 0.00 175.55 175.58 3bvx s ALA 647 N 0.26 2.94 0.48 3.71 0.00 -0.70 -4.90 121.76 123.55 3bvx s ALA 647 Ca -0.10 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 3bvx s ALA 647 Cb -0.14 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3bvx s ALA 647 CO 0.04 -0.54 0.82 -1.54 0.00 0.00 0.00 175.76 174.55 3bvx s SER 648 N -1.55 6.33 -0.02 0.00 1.04 0.06 -4.85 113.70 114.71 3bvx s SER 648 Ca 0.64 1.07 0.01 0.00 0.48 0.00 0.00 55.95 58.15 3bvx s SER 648 Cb -0.25 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3bvx s SER 648 CO 0.30 -0.57 -0.03 0.20 0.98 0.00 0.00 173.24 174.12 3bvx s ASN 649 N -3.84 0.51 -0.09 7.02 0.01 -1.26 -1.09 114.94 116.20 3bvx s ASN 649 Ca 0.50 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.58 3bvx s ASN 649 Cb -0.10 -0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.43 3bvx s ASN 649 CO 0.42 -0.01 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.74 3bvx s LEU 650 N 0.39 0.96 -0.33 0.60 2.96 0.36 -0.85 118.68 122.78 3bvx s LEU 650 Ca -0.04 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 3bvx s LEU 650 Cb -0.07 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 3bvx s LEU 650 CO -0.01 -0.14 0.18 -0.22 -1.32 0.00 0.00 176.35 174.85 3bvx s LEU 651 N 1.70 4.28 -0.33 -0.68 1.98 0.31 -0.57 118.68 125.39 3bvx s LEU 651 Ca 0.03 -0.55 -0.12 0.00 -2.89 0.00 0.00 54.13 50.60 3bvx s LEU 651 Cb -0.13 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.66 3bvx s LEU 651 CO -0.06 -0.23 0.23 -0.76 -1.89 0.00 0.00 176.35 173.64 3bvx s LEU 652 N 1.64 4.40 -0.21 -0.68 1.43 0.74 -1.90 118.68 124.10 3bvx s LEU 652 Ca 0.05 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 3bvx s LEU 652 Cb -0.17 -2.13 0.15 0.00 0.03 0.00 0.00 46.19 44.07 3bvx s LEU 652 CO 0.07 -0.19 1.16 0.00 0.23 0.00 0.00 176.35 177.62 3bvx s ARG 653 N 1.73 0.36 0.68 1.70 1.70 -0.23 -1.76 118.95 123.13 3bvx s ARG 653 Ca 0.06 0.07 -0.12 0.00 -0.47 0.00 0.00 55.73 55.28 3bvx s ARG 653 Cb -0.17 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 3bvx s ARG 653 CO 0.10 -0.11 1.06 0.15 -1.08 0.00 0.00 175.30 175.42 3bvx s LYS 654 N -1.14 2.97 -1.26 3.89 1.02 -1.26 -4.12 119.74 119.83 3bvx s LYS 654 Ca 0.03 1.03 -0.14 0.00 0.02 0.00 0.00 55.97 56.91 3bvx s LYS 654 Cb -0.01 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 3bvx s LYS 654 CO -0.03 -1.08 0.62 0.09 -0.92 0.00 0.00 175.35 174.04 3bvx n ASN 655 N -2.92 -3.08 -4.80 2.83 3.02 -1.26 -4.93 115.26 104.13 3bvx n ASN 655 Ca 0.08 -1.04 -0.31 0.00 -0.03 0.00 0.00 54.58 53.28 3bvx n ASN 655 Cb 0.53 -3.07 0.07 0.00 -0.61 0.00 0.00 39.78 36.70 3bvx n ASN 655 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3bvx s PRO 656 N -6.37 2.56 0.27 3.52 0.04 -1.26 -5.08 135.00 128.69 3bvx s PRO 656 Ca 0.28 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.39 3bvx s PRO 656 Cb -0.11 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3bvx s PRO 656 CO 0.88 -1.38 -0.04 0.95 0.04 0.00 0.00 177.00 177.45 3bvx s THR 657 N -2.99 1.51 0.84 1.26 -4.23 -1.26 -5.14 115.64 105.62 3bvx s THR 657 Ca 0.60 -2.10 -0.10 0.00 -1.18 0.00 0.00 61.69 58.90 3bvx s THR 657 Cb -0.15 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.34 3bvx s THR 657 CO 0.55 -0.29 1.12 -0.94 -0.54 0.00 0.00 174.62 174.52 3bvx s SER 658 N -3.42 3.75 -0.41 3.99 1.04 -1.26 -5.01 113.70 112.38 3bvx s SER 658 Ca 0.29 2.01 0.04 0.00 0.48 0.00 0.00 55.95 58.78 3bvx s SER 658 Cb 0.04 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.79 3bvx s SER 658 CO 0.11 -2.54 0.35 0.18 0.98 0.00 0.00 173.24 172.32 3bvx n LEU 659 N -3.83 -0.58 -4.77 2.42 4.77 -1.26 -5.10 117.00 108.65 3bvx n LEU 659 Ca 0.11 -4.33 -0.35 0.00 -0.03 0.00 0.00 56.01 51.41 3bvx n LEU 659 Cb 0.52 0.56 0.01 0.00 -2.33 0.00 0.00 43.42 42.19 3bvx n LEU 659 CO 0.51 1.86 0.78 -2.16 -1.33 0.00 0.00 177.39 177.05 3bvx s PRO 660 N 0.08 3.20 -0.07 3.23 0.04 -1.26 -4.58 135.00 135.64 3bvx s PRO 660 Ca 0.33 1.57 0.21 0.00 0.04 0.00 0.00 61.00 63.15 3bvx s PRO 660 Cb 0.04 -1.99 0.43 0.00 0.04 0.00 0.00 34.50 33.02 3bvx s PRO 660 CO -0.20 -0.96 1.19 1.28 0.04 0.00 0.00 177.00 178.35 3bvx n LEU 661 N -1.58 1.61 0.00 -3.56 4.77 -1.26 -4.71 117.00 112.27 3bvx n LEU 661 Ca 0.11 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 3bvx n LEU 661 Cb 0.51 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3bvx n LEU 661 CO 0.44 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3bvx n GLY 662 N -0.08 3.42 0.00 -0.72 0.00 -1.26 -2.26 105.19 104.29 3bvx n GLY 662 Ca 0.11 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3bvx n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bvx n GLN 663 N 14.00 0.76 -1.67 1.61 6.02 -1.26 -4.88 117.38 131.95 3bvx n GLN 663 Ca 0.00 0.01 -0.46 0.00 -0.01 0.00 0.00 57.00 56.54 3bvx n GLN 663 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 3bvx n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3bvx n TYR 664 N -1.07 2.32 1.61 1.08 9.36 -0.96 -4.88 117.16 124.63 3bvx n TYR 664 Ca 0.19 0.16 0.14 0.00 3.32 0.00 0.00 57.90 61.71 3bvx n TYR 664 Cb 0.12 -2.59 0.79 0.00 -0.63 0.00 0.00 39.34 37.03 3bvx n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3bvx n PRO 665 N 4.45 0.71 -4.78 2.98 -0.04 -1.26 -4.70 135.00 132.35 3bvx n PRO 665 Ca 0.19 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 3bvx n PRO 665 Cb 0.30 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.09 3bvx n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3bvx s GLU 666 N -2.22 2.90 0.33 0.54 2.56 -1.26 -5.10 118.70 116.45 3bvx s GLU 666 Ca 0.37 -0.82 -0.28 0.00 0.00 0.00 0.00 54.97 54.25 3bvx s GLU 666 Cb 0.19 -2.31 -0.09 0.00 2.00 0.00 0.00 34.13 33.92 3bvx s GLU 666 CO 0.37 0.03 1.14 -0.51 -0.56 0.00 0.00 175.26 175.73 3bvx s ASP 667 N 0.71 6.95 0.39 -1.70 1.01 -1.26 -4.93 116.67 117.84 3bvx s ASP 667 Ca -0.10 2.33 -0.27 0.00 0.71 0.00 0.00 52.55 55.22 3bvx s ASP 667 Cb -0.16 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.05 3bvx s ASP 667 CO 0.01 -0.37 1.37 -0.69 0.21 0.00 0.00 175.17 175.69 3bvx s VAL 668 N -1.28 2.41 0.21 -1.27 1.01 -1.26 -4.71 120.40 115.52 3bvx s VAL 668 Ca 0.50 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.93 3bvx s VAL 668 Cb -0.32 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3bvx s VAL 668 CO 0.41 0.07 0.15 -0.54 0.00 0.00 0.00 175.10 175.20 3bvx s LYS 669 N -2.15 2.87 0.11 2.72 3.01 -0.03 -4.98 119.74 121.28 3bvx s LYS 669 Ca 0.55 -0.99 0.05 0.00 -1.01 0.00 0.00 55.97 54.57 3bvx s LYS 669 Cb -0.41 -2.57 -0.04 0.00 -1.01 0.00 0.00 37.83 33.80 3bvx s LYS 669 CO 0.54 0.44 -0.12 -0.06 0.51 0.00 0.00 175.35 176.65 3bvx s PHE 670 N -1.96 1.25 0.10 3.18 0.40 -1.26 -0.53 117.98 119.15 3bvx s PHE 670 Ca 0.32 -0.58 -0.26 0.00 -0.60 0.00 0.00 56.93 55.80 3bvx s PHE 670 Cb -0.09 -0.67 0.08 0.00 0.51 0.00 0.00 43.02 42.85 3bvx s PHE 670 CO 0.24 0.08 0.91 0.20 0.70 0.00 0.00 175.22 177.35 3bvx s GLY 671 N -2.37 -0.33 0.66 4.36 0.00 -0.80 -4.92 107.32 103.92 3bvx s GLY 671 Ca 0.06 0.45 -0.15 0.00 0.00 0.00 0.00 44.72 45.09 3bvx s GLY 671 CO 0.02 0.13 1.10 0.99 0.00 0.00 0.00 173.10 175.33 3bvx s ASP 672 N -2.77 5.21 0.30 1.64 1.01 -1.26 -1.07 116.67 119.73 3bvx s ASP 672 Ca 0.09 1.93 -0.29 0.00 0.71 0.00 0.00 52.55 54.99 3bvx s ASP 672 Cb -0.01 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 3bvx s ASP 672 CO -0.02 -1.56 1.30 -2.65 0.21 0.00 0.00 175.17 172.44 3bvx n PRO 673 N -2.46 1.99 -3.52 8.23 -0.02 -1.26 -4.67 135.00 133.28 3bvx n PRO 673 Ca 0.10 0.70 -0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3bvx n PRO 673 Cb 0.52 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3bvx n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3bvx s ARG 674 N -1.27 1.34 0.50 -0.52 1.70 -1.26 -4.98 118.95 114.45 3bvx s ARG 674 Ca 0.61 -0.58 -0.21 0.00 -0.47 0.00 0.00 55.73 55.07 3bvx s ARG 674 Cb -0.62 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.27 3bvx s ARG 674 CO 0.57 -0.59 1.16 -1.21 -1.08 0.00 0.00 175.30 174.15 3bvx s GLU 675 N -3.79 3.56 0.06 3.89 2.02 -1.26 -4.10 118.70 119.09 3bvx s GLU 675 Ca 0.03 1.72 -0.06 0.00 0.02 0.00 0.00 54.97 56.68 3bvx s GLU 675 Cb -0.01 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 3bvx s GLU 675 CO -0.10 -0.70 0.10 0.96 0.02 0.00 0.00 175.26 175.55 3bvx s ILE 676 N -1.63 0.16 0.05 -1.63 -4.36 -0.97 -4.98 121.20 107.84 3bvx s ILE 676 Ca 0.68 -1.34 0.05 0.00 -0.26 0.00 0.00 60.65 59.78 3bvx s ILE 676 Cb -0.27 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 3bvx s ILE 676 CO 0.32 -0.74 -0.14 -0.44 0.24 0.00 0.00 174.94 174.18 3bvx s SER 677 N -2.68 1.63 0.00 4.36 0.01 -1.26 -0.10 113.70 115.66 3bvx s SER 677 Ca 0.03 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 3bvx s SER 677 Cb 0.04 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 3bvx s SER 677 CO -0.09 -0.01 0.04 -0.76 0.41 0.00 0.00 173.24 172.83 3bvx s LEU 678 N -1.33 1.94 -0.05 2.44 1.43 0.00 -4.99 118.68 118.13 3bvx s LEU 678 Ca 0.00 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3bvx s LEU 678 Cb -0.08 0.28 0.03 0.00 0.03 0.00 0.00 46.19 46.45 3bvx s LEU 678 CO 0.02 -0.25 0.08 -0.60 0.23 0.00 0.00 176.35 175.83 3bvx s ARG 679 N -1.06 -0.03 -0.17 1.70 3.52 -1.26 -0.96 118.95 120.69 3bvx s ARG 679 Ca -0.12 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.77 3bvx s ARG 679 Cb -0.07 -0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 3bvx s ARG 679 CO -0.00 -0.26 0.07 0.08 -0.81 0.00 0.00 175.30 174.38 3bvx s VAL 680 N 1.76 4.86 0.00 7.11 1.01 -1.26 -5.01 120.40 128.88 3bvx s VAL 680 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3bvx s VAL 680 Cb -0.12 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3bvx s VAL 680 CO -0.04 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3bvx n GLY 681 N 3.30 2.98 0.11 4.51 0.00 -1.26 -1.30 105.19 113.53 3bvx n GLY 681 Ca -0.17 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.65 3bvx n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bvx n ASN 682 N 1.02 0.39 -3.18 1.61 3.02 -1.26 -4.97 115.26 111.89 3bvx n ASN 682 Ca 0.00 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 3bvx n ASN 682 Cb 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3bvx n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bvx n GLY 683 N 1.20 -2.00 3.77 7.41 0.00 -0.42 -4.92 105.19 110.22 3bvx n GLY 683 Ca 0.17 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 3bvx n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bvx s PRO 684 N -0.76 2.76 -0.23 1.61 0.04 -1.26 -4.82 135.00 132.35 3bvx s PRO 684 Ca 0.00 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 3bvx s PRO 684 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3bvx s PRO 684 CO 0.00 -1.29 0.23 0.99 0.04 0.00 0.00 177.00 176.97 3bvx s THR 685 N -2.28 5.32 -0.11 1.26 2.01 -0.15 -4.20 115.64 117.48 3bvx s THR 685 Ca 0.68 0.33 0.01 0.00 0.31 0.00 0.00 61.69 63.01 3bvx s THR 685 Cb -0.21 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 3bvx s THR 685 CO 0.41 0.32 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.78 3bvx s LEU 686 N 1.13 2.79 -0.02 4.42 1.43 -0.13 -0.17 118.68 128.13 3bvx s LEU 686 Ca 0.11 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3bvx s LEU 686 Cb -0.14 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3bvx s LEU 686 CO 0.05 0.22 -0.06 0.00 0.23 0.00 0.00 176.35 176.80 3bvx s ALA 687 N 0.01 3.05 0.08 4.21 0.00 -0.58 -0.82 121.76 127.71 3bvx s ALA 687 Ca -0.04 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.04 3bvx s ALA 687 Cb -0.14 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3bvx s ALA 687 CO 0.04 0.61 -0.23 -0.06 0.00 0.00 0.00 175.76 176.11 3bvx s PHE 688 N -0.96 2.03 0.91 0.00 0.40 0.85 0.23 117.98 121.45 3bvx s PHE 688 Ca 0.16 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 3bvx s PHE 688 Cb -0.11 -1.16 0.14 0.00 0.51 0.00 0.00 43.02 42.40 3bvx s PHE 688 CO 0.06 0.18 1.13 -1.54 0.70 0.00 0.00 175.22 175.75 3bvx s SER 689 N -1.56 3.46 0.17 1.36 1.04 0.34 -2.30 113.70 116.21 3bvx s SER 689 Ca 0.10 1.00 0.18 0.00 0.48 0.00 0.00 55.95 57.70 3bvx s SER 689 Cb -0.10 -1.59 0.80 0.00 0.10 0.00 0.00 66.02 65.24 3bvx s SER 689 CO 0.03 -2.59 1.55 -1.84 0.98 0.00 0.00 173.24 171.38 3bvx n GLU 690 N -3.79 0.11 -0.23 4.02 0.28 -1.26 -0.85 120.64 118.92 3bvx n GLU 690 Ca 0.06 0.42 0.06 0.00 -0.16 0.00 0.00 57.16 57.55 3bvx n GLU 690 Cb 0.59 -1.74 0.17 0.00 1.43 0.00 0.00 31.44 31.89 3bvx n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3bvx n GLN 691 N -1.95 2.01 -0.98 3.44 3.00 -1.26 -4.41 117.38 117.23 3bvx n GLN 691 Ca 0.02 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 3bvx n GLN 691 Cb 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.02 3bvx n GLN 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bvx n GLY 692 N 1.00 0.41 3.54 1.08 0.00 -0.03 -4.90 105.19 106.30 3bvx n GLY 692 Ca 0.13 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 3bvx n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bvx s LEU 693 N 0.00 3.05 0.30 0.99 1.43 -1.26 -4.74 118.68 118.44 3bvx s LEU 693 Ca 0.00 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 3bvx s LEU 693 Cb 0.00 -1.66 -0.13 0.00 0.03 0.00 0.00 46.19 44.43 3bvx s LEU 693 CO 0.00 0.33 1.19 -0.11 0.23 0.00 0.00 176.35 178.00 3bvx n LEU 694 N 2.42 2.70 0.00 1.79 7.94 -1.26 -0.51 117.00 130.08 3bvx n LEU 694 Ca -0.18 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3bvx n LEU 694 Cb 0.53 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.09 3bvx n LEU 694 CO 0.27 -0.88 -0.40 2.29 -1.11 0.00 0.00 177.39 177.56 3bvx n LYS 695 N 0.92 2.05 -3.45 1.96 2.85 0.14 -1.97 118.16 120.65 3bvx n LYS 695 Ca 0.08 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 3bvx n LYS 695 Cb 0.33 -0.90 -0.03 0.00 -0.65 0.00 0.00 35.03 33.78 3bvx n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3bvx s SER 696 N -2.05 -0.58 -0.09 -5.58 1.04 -1.10 -1.35 113.70 103.99 3bvx s SER 696 Ca 0.00 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.64 3bvx s SER 696 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3bvx s SER 696 CO 0.00 -0.85 -0.13 -0.63 0.98 0.00 0.00 173.24 172.62 3bvx s ILE 697 N -3.00 1.27 -0.30 -1.02 1.01 -0.43 -1.52 121.20 117.21 3bvx s ILE 697 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 3bvx s ILE 697 Cb -0.01 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.30 3bvx s ILE 697 CO -0.07 0.40 0.06 -1.58 0.00 0.00 0.00 174.94 173.75 3bvx s GLN 698 N 1.00 2.83 0.14 2.79 0.74 0.76 -0.76 119.66 127.16 3bvx s GLN 698 Ca -0.08 -1.02 -0.11 0.00 0.05 0.00 0.00 55.36 54.20 3bvx s GLN 698 Cb -0.15 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 3bvx s GLN 698 CO -0.01 -0.53 1.49 -0.07 -0.55 0.00 0.00 175.29 175.62 3bvx h LEU 699 N 8.18 0.98 -8.54 3.68 3.38 -1.85 -0.39 115.31 120.75 3bvx h LEU 699 Ca -0.28 -0.44 -0.33 0.00 0.09 0.00 0.00 57.88 56.92 3bvx h LEU 699 Cb 1.10 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.41 3bvx h LEU 699 CO 0.59 1.22 -0.73 0.42 0.09 0.00 0.00 178.44 180.03 3bvx s THR 700 N -4.49 1.06 0.47 0.22 -4.23 -1.26 -4.06 115.64 103.36 3bvx s THR 700 Ca -0.11 -1.81 0.39 0.00 -1.18 0.00 0.00 61.69 58.97 3bvx s THR 700 Cb 0.11 -1.57 0.58 0.00 1.34 0.00 0.00 72.50 72.97 3bvx s THR 700 CO 0.87 -0.62 1.51 0.00 -0.54 0.00 0.00 174.62 175.84 3bvx n GLN 701 N 0.27 -0.02 -0.06 3.99 1.13 -1.26 -2.16 117.38 119.26 3bvx n GLN 701 Ca -0.14 1.15 -0.05 0.00 -1.94 0.00 0.00 57.00 56.02 3bvx n GLN 701 Cb 0.59 -2.41 -0.12 0.00 0.11 0.00 0.00 30.24 28.41 3bvx n GLN 701 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3bvx n ASP 702 N -4.33 1.34 -4.82 1.08 3.85 -1.26 -5.02 116.55 107.39 3bvx n ASP 702 Ca 0.41 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 54.19 3bvx n ASP 702 Cb 1.70 1.02 0.10 0.00 -1.35 0.00 0.00 41.12 42.59 3bvx n ASP 702 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3bvx s SER 703 N -4.65 4.31 0.63 -1.12 1.04 -0.92 -5.03 113.70 107.97 3bvx s SER 703 Ca -0.07 1.09 -0.15 0.00 0.48 0.00 0.00 55.95 57.31 3bvx s SER 703 Cb 0.05 -1.75 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 3bvx s SER 703 CO 0.62 -2.06 1.07 -2.84 0.98 0.00 0.00 173.24 171.01 3bvx s PRO 704 N -5.29 3.08 -0.55 4.02 0.02 -1.26 -4.79 135.00 130.23 3bvx s PRO 704 Ca 0.62 1.23 -0.28 0.00 0.02 0.00 0.00 61.00 62.58 3bvx s PRO 704 Cb -0.14 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3bvx s PRO 704 CO 0.53 -1.01 1.35 -1.01 -0.33 0.00 0.00 177.00 176.53 3bvx s HIS 705 N -2.51 2.39 -0.23 6.54 3.76 -1.26 -4.32 115.29 119.66 3bvx s HIS 705 Ca 0.64 0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 55.77 3bvx s HIS 705 Cb -0.17 -4.42 -0.00 0.00 1.11 0.00 0.00 32.58 29.10 3bvx s HIS 705 CO 0.41 -1.86 0.88 0.08 -0.85 0.00 0.00 174.74 173.39 3bvx s VAL 706 N 5.68 4.81 0.09 -0.90 1.01 0.06 -4.81 120.40 126.34 3bvx s VAL 706 Ca 0.51 1.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 3bvx s VAL 706 Cb -0.10 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 3bvx s VAL 706 CO 0.26 -0.08 1.76 -2.84 0.00 0.00 0.00 175.10 174.20 3bvx s PRO 707 N 2.80 4.16 -0.28 2.72 0.02 -1.26 -1.31 135.00 141.86 3bvx s PRO 707 Ca 0.37 2.47 -0.01 0.00 0.02 0.00 0.00 61.00 63.86 3bvx s PRO 707 Cb -0.15 -3.64 0.13 0.00 0.02 0.00 0.00 34.50 30.85 3bvx s PRO 707 CO 0.08 -0.80 0.27 0.08 -0.33 0.00 0.00 177.00 176.30 3bvx s VAL 708 N 2.83 -0.36 -0.10 3.83 1.01 -0.45 -4.14 120.40 123.01 3bvx s VAL 708 Ca 0.78 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 3bvx s VAL 708 Cb -0.43 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3bvx s VAL 708 CO 0.35 -0.45 0.01 -2.28 0.00 0.00 0.00 175.10 172.72 3bvx s HIS 709 N 2.34 3.18 -0.00 5.22 2.46 -0.30 -3.02 115.29 125.16 3bvx s HIS 709 Ca 0.09 0.15 -0.09 0.00 0.47 0.00 0.00 55.06 55.67 3bvx s HIS 709 Cb -0.14 -1.84 -0.05 0.00 -0.13 0.00 0.00 32.58 30.41 3bvx s HIS 709 CO -0.30 0.40 0.31 -0.06 -2.47 0.00 0.00 174.74 172.61 3bvx s PHE 710 N -0.63 3.62 -0.08 3.88 2.99 -0.83 -0.67 117.98 126.25 3bvx s PHE 710 Ca 0.10 0.71 -0.09 0.00 0.00 0.00 0.00 56.93 57.65 3bvx s PHE 710 Cb -0.12 -2.09 0.02 0.00 0.00 0.00 0.00 43.02 40.84 3bvx s PHE 710 CO 0.02 0.62 0.25 0.21 -0.00 0.00 0.00 175.22 176.33 3bvx s LYS 711 N -1.50 0.36 -0.13 0.44 2.20 -0.15 -4.75 119.74 116.22 3bvx s LYS 711 Ca 0.26 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 56.05 3bvx s LYS 711 Cb -0.14 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 3bvx s LYS 711 CO 0.14 -0.06 -0.00 -0.06 -0.36 0.00 0.00 175.35 175.00 3bvx s PHE 712 N -0.19 3.12 0.27 4.03 0.40 -1.26 -0.30 117.98 124.05 3bvx s PHE 712 Ca -0.03 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 3bvx s PHE 712 Cb -0.03 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 3bvx s PHE 712 CO 0.01 0.22 0.11 -0.51 0.70 0.00 0.00 175.22 175.75 3bvx s LEU 713 N -0.19 1.64 -0.03 -0.37 1.02 -0.40 -1.27 118.68 119.08 3bvx s LEU 713 Ca 0.05 -1.43 0.03 0.00 0.02 0.00 0.00 54.13 52.80 3bvx s LEU 713 Cb -0.13 0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.15 3bvx s LEU 713 CO 0.02 -0.77 -0.11 -1.59 0.02 0.00 0.00 176.35 173.92 3bvx s LYS 714 N -3.98 1.19 0.10 1.70 -2.85 0.24 -1.08 119.74 115.06 3bvx s LYS 714 Ca 0.37 -0.37 -0.05 0.00 -1.00 0.00 0.00 55.97 54.92 3bvx s LYS 714 Cb 0.07 -1.07 -0.05 0.00 -2.06 0.00 0.00 37.83 34.71 3bvx s LYS 714 CO 0.14 0.12 0.34 0.71 0.10 0.00 0.00 175.35 176.77 3bvx s TYR 715 N 0.24 3.51 0.00 1.78 1.51 0.11 -0.87 117.35 123.63 3bvx s TYR 715 Ca -0.05 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 3bvx s TYR 715 Cb -0.10 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 3bvx s TYR 715 CO 0.01 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 3bvx n GLY 716 N 0.38 5.68 3.31 0.71 0.00 -1.26 -1.15 105.19 112.86 3bvx n GLY 716 Ca -0.05 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 3bvx n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bvx s VAL 717 N 1.16 1.78 0.29 1.61 1.01 -1.25 -3.12 120.40 121.88 3bvx s VAL 717 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 61.98 59.98 3bvx s VAL 717 Cb 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.59 3bvx s VAL 717 CO 0.00 -0.16 1.12 -0.13 0.00 0.00 0.00 175.10 175.93 3bvx s ARG 718 N -2.29 4.61 0.16 2.72 0.52 -1.26 -4.63 118.95 118.78 3bvx s ARG 718 Ca 0.11 1.84 0.23 0.00 -0.52 0.00 0.00 55.73 57.39 3bvx s ARG 718 Cb -0.08 -3.17 0.16 0.00 0.52 0.00 0.00 34.95 32.38 3bvx s ARG 718 CO 0.05 0.17 1.18 0.66 0.02 0.00 0.00 175.30 177.38 3bvx h SER 719 N 3.76 0.00 -3.92 0.23 4.64 -1.97 -3.45 113.55 112.83 3bvx h SER 719 Ca -0.47 -0.13 -0.47 0.00 -0.47 0.00 0.00 61.79 60.24 3bvx h SER 719 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 3bvx h SER 719 CO 0.67 0.07 -0.78 -1.38 -0.87 0.00 0.00 176.83 174.53 3bvx s HIS 720 N -3.26 1.59 0.00 4.77 0.00 -1.26 -5.08 115.29 112.06 3bvx s HIS 720 Ca 0.03 -0.50 0.00 0.00 -3.00 0.00 0.00 55.06 51.59 3bvx s HIS 720 Cb 0.12 -0.83 0.00 0.00 -4.00 0.00 0.00 32.58 27.87 3bvx s HIS 720 CO 0.76 0.21 0.00 0.41 -1.00 0.00 0.00 174.74 175.12 3bvx n GLY 721 N 0.58 -1.04 3.76 -1.38 0.00 -1.26 -4.93 105.19 100.92 3bvx n GLY 721 Ca -0.16 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 3bvx n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bvx s ASP 722 N -4.00 7.32 -0.12 1.61 -0.00 -1.26 -4.98 116.67 115.24 3bvx s ASP 722 Ca 0.00 2.05 -0.07 0.00 -0.00 0.00 0.00 52.55 54.53 3bvx s ASP 722 Cb 0.00 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.27 3bvx s ASP 722 CO 0.00 -0.09 0.12 -0.13 -0.00 0.00 0.00 175.17 175.07 3bvx s ARG 723 N -1.64 3.46 0.58 8.23 0.52 -1.26 -4.58 118.95 124.26 3bvx s ARG 723 Ca 0.47 -0.18 -0.20 0.00 -0.52 0.00 0.00 55.73 55.30 3bvx s ARG 723 Cb -0.26 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 3bvx s ARG 723 CO 0.33 0.72 1.13 0.43 0.02 0.00 0.00 175.30 177.93 3bvx n SER 724 N 2.16 1.56 0.00 0.23 7.64 -1.26 -4.59 113.62 119.36 3bvx n SER 724 Ca -0.19 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.56 3bvx n SER 724 Cb 0.55 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3bvx n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bvx n GLY 725 N 1.07 3.80 0.26 0.23 0.00 -0.82 -4.53 105.19 105.20 3bvx n GLY 725 Ca 0.13 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3bvx n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bvx h ALA 726 N 1.66 1.90 0.00 4.61 0.00 -1.84 -3.20 119.26 122.39 3bvx h ALA 726 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 3bvx h ALA 726 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3bvx h ALA 726 CO 0.00 0.04 -1.69 0.66 0.00 0.00 0.00 179.25 178.26 3bvx n TYR 727 N -4.43 0.68 -3.50 0.00 4.02 -1.26 -2.76 117.16 109.90 3bvx n TYR 727 Ca -0.03 0.29 -0.38 0.00 -0.01 0.00 0.00 57.90 57.78 3bvx n TYR 727 Cb 0.12 -1.07 -0.06 0.00 -0.02 0.00 0.00 39.34 38.31 3bvx n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3bvx s LEU 728 N -7.75 4.46 -0.33 7.72 1.43 -1.21 -0.80 118.68 122.19 3bvx s LEU 728 Ca -0.32 0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 53.67 3bvx s LEU 728 Cb 0.09 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.70 3bvx s LEU 728 CO 0.56 0.30 0.09 0.12 0.23 0.00 0.00 176.35 177.65 3bvx s PHE 729 N -1.12 3.25 -0.53 0.29 5.99 -1.10 -1.95 117.98 122.82 3bvx s PHE 729 Ca 0.25 -1.47 0.06 0.00 0.00 0.00 0.00 56.93 55.77 3bvx s PHE 729 Cb -0.16 -2.25 0.21 0.00 0.00 0.00 0.00 43.02 40.82 3bvx s PHE 729 CO 0.14 -0.74 0.53 1.28 -0.00 0.00 0.00 175.22 176.43 3bvx n LEU 730 N 4.79 1.50 -4.78 6.12 4.77 -1.26 -4.65 117.00 123.49 3bvx n LEU 730 Ca -0.13 -4.91 -0.32 0.00 -0.03 0.00 0.00 56.01 50.63 3bvx n LEU 730 Cb 0.45 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 3bvx n LEU 730 CO 0.31 1.95 0.71 -2.16 -1.33 0.00 0.00 177.39 176.87 3bvx s PRO 731 N -1.25 2.52 -1.19 3.23 0.04 -1.26 -3.97 135.00 133.11 3bvx s PRO 731 Ca 0.34 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 3bvx s PRO 731 Cb 0.09 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.86 3bvx s PRO 731 CO -0.12 -1.45 2.28 0.27 0.04 0.00 0.00 177.00 178.02 3bvx n ASN 732 N -3.12 7.79 0.00 6.66 6.94 -1.18 -4.77 115.26 127.58 3bvx n ASN 732 Ca 0.09 -3.28 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 3bvx n ASN 732 Cb 0.53 -1.30 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 3bvx n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bvx n GLY 733 N 1.22 0.51 3.59 4.83 0.00 -1.26 -4.84 105.19 109.24 3bvx n GLY 733 Ca 0.58 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 3bvx n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bvx n PRO 734 N 0.59 -0.12 -2.05 1.61 -0.02 -1.26 -4.80 135.00 128.95 3bvx n PRO 734 Ca 0.00 0.03 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 3bvx n PRO 734 Cb 0.00 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3bvx n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bvx s ALA 735 N -2.33 2.57 -0.08 3.55 0.00 -1.26 -4.92 121.76 119.28 3bvx s ALA 735 Ca 0.66 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 3bvx s ALA 735 Cb -0.26 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3bvx s ALA 735 CO 0.58 -1.09 -0.04 -1.12 0.00 0.00 0.00 175.76 174.09 3bvx s SER 736 N -1.66 4.86 0.38 0.00 0.01 -0.05 -4.85 113.70 112.40 3bvx s SER 736 Ca 0.76 0.02 -0.28 0.00 1.31 0.00 0.00 55.95 57.77 3bvx s SER 736 Cb -0.29 -1.33 -0.11 0.00 0.21 0.00 0.00 66.02 64.50 3bvx s SER 736 CO 0.32 0.35 1.46 -2.65 0.41 0.00 0.00 173.24 173.13 3bvx n PRO 737 N 2.33 2.57 -1.97 12.44 -0.01 -1.26 -0.60 135.00 148.50 3bvx n PRO 737 Ca -0.18 0.90 -0.42 0.00 -0.01 0.00 0.00 63.50 63.79 3bvx n PRO 737 Cb 0.53 -2.62 -0.03 0.00 -0.01 0.00 0.00 33.50 31.37 3bvx n PRO 737 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 3bvx s VAL 738 N -1.12 2.64 -0.24 -1.45 1.01 -0.40 -4.77 120.40 116.07 3bvx s VAL 738 Ca 0.54 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 3bvx s VAL 738 Cb -0.48 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3bvx s VAL 738 CO 0.63 0.06 1.50 -1.61 0.00 0.00 0.00 175.10 175.68 3bvx s GLU 739 N 0.47 3.85 0.02 2.72 0.41 -1.26 -4.90 118.70 120.02 3bvx s GLU 739 Ca 0.65 1.53 0.23 0.00 -0.41 0.00 0.00 54.97 56.97 3bvx s GLU 739 Cb -0.43 -3.97 0.20 0.00 -1.78 0.00 0.00 34.13 28.15 3bvx s GLU 739 CO 0.37 -1.21 1.18 1.28 -0.49 0.00 0.00 175.26 176.38 3bvx n LEU 740 N 8.10 0.64 0.00 1.80 4.77 -1.26 -4.79 117.00 126.26 3bvx n LEU 740 Ca 0.17 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3bvx n LEU 740 Cb 0.46 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3bvx n LEU 740 CO 0.64 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3bvx n GLY 741 N 1.44 2.47 2.93 -0.72 0.00 -1.26 -3.72 105.19 106.33 3bvx n GLY 741 Ca 0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3bvx n GLY 741 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bvx s GLN 742 N 0.00 2.45 0.65 1.61 -0.21 -1.26 -5.08 119.66 117.81 3bvx s GLN 742 Ca 0.00 -3.22 -0.14 0.00 0.02 0.00 0.00 55.36 52.02 3bvx s GLN 742 Cb 0.00 -3.45 -0.01 0.00 1.00 0.00 0.00 33.01 30.55 3bvx s GLN 742 CO 0.00 -1.25 1.07 -1.25 -2.12 0.00 0.00 175.29 171.74 3bvx s PRO 743 N -1.24 3.03 0.02 2.91 0.04 -1.24 -4.96 135.00 133.56 3bvx s PRO 743 Ca 0.24 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 3bvx s PRO 743 Cb -0.08 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3bvx s PRO 743 CO -0.13 -1.04 0.84 0.08 0.04 0.00 0.00 177.00 176.78 3bvx s VAL 744 N -2.60 4.79 -0.10 -0.36 1.01 -1.26 -4.84 120.40 117.02 3bvx s VAL 744 Ca 0.63 1.77 0.04 0.00 0.00 0.00 0.00 61.98 64.41 3bvx s VAL 744 Cb -0.17 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 3bvx s VAL 744 CO 0.44 0.29 -0.23 -0.69 0.00 0.00 0.00 175.10 174.90 3bvx s VAL 745 N 0.37 2.17 -0.18 2.92 1.01 -0.72 -2.51 120.40 123.45 3bvx s VAL 745 Ca 0.43 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3bvx s VAL 745 Cb -0.21 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3bvx s VAL 745 CO 0.24 0.56 -0.13 -0.22 0.00 0.00 0.00 175.10 175.55 3bvx s LEU 746 N 0.34 2.56 -0.21 3.92 2.96 0.49 -0.18 118.68 128.56 3bvx s LEU 746 Ca -0.18 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 3bvx s LEU 746 Cb -0.18 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 3bvx s LEU 746 CO 0.09 0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.40 3bvx s VAL 747 N 1.05 3.13 -0.17 1.68 1.01 0.27 -0.82 120.40 126.54 3bvx s VAL 747 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3bvx s VAL 747 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3bvx s VAL 747 CO -0.03 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.52 3bvx s THR 748 N 1.34 2.99 -0.19 3.92 2.01 -0.21 -0.48 115.64 125.02 3bvx s THR 748 Ca 0.04 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.41 3bvx s THR 748 Cb -0.14 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.09 3bvx s THR 748 CO -0.04 0.49 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.44 3bvx s LYS 749 N 0.96 2.86 0.17 4.92 2.20 -0.25 -0.32 119.74 130.29 3bvx s LYS 749 Ca -0.02 -0.92 0.01 0.00 -0.36 0.00 0.00 55.97 54.68 3bvx s LYS 749 Cb -0.15 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3bvx s LYS 749 CO -0.01 -0.27 0.03 0.20 -0.36 0.00 0.00 175.35 174.94 3bvx s GLY 750 N 1.26 1.24 0.28 5.54 0.00 -0.99 -0.76 107.32 113.89 3bvx s GLY 750 Ca 0.03 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 3bvx s GLY 750 CO -0.12 -1.49 1.81 1.70 0.00 0.00 0.00 173.10 175.00 3bvx h LYS 751 N 2.69 0.75 0.00 2.90 3.64 -1.96 -3.30 116.57 121.28 3bvx h LYS 751 Ca -0.36 -0.17 -0.30 0.00 -1.27 0.00 0.00 60.65 58.54 3bvx h LYS 751 Cb 1.21 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 3bvx h LYS 751 CO 0.61 0.72 -2.22 1.28 -2.27 0.00 0.00 179.45 177.58 3bvx n LEU 752 N -4.25 0.00 -3.69 5.20 4.77 -1.26 -4.50 117.00 113.26 3bvx n LEU 752 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3bvx n LEU 752 Cb 0.26 0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 3bvx n LEU 752 CO 0.40 0.41 0.03 -0.70 -1.33 0.00 0.00 177.39 176.21 3bvx s GLU 753 N -2.53 0.37 0.24 3.23 2.12 -1.24 -4.46 118.70 116.42 3bvx s GLU 753 Ca -0.09 0.78 0.10 0.00 0.36 0.00 0.00 54.97 56.12 3bvx s GLU 753 Cb 0.06 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 3bvx s GLU 753 CO 0.75 -0.17 -0.17 -1.12 -0.54 0.00 0.00 175.26 174.01 3bvx s SER 754 N 1.49 3.07 -0.01 -1.70 0.01 -0.33 -2.34 113.70 113.88 3bvx s SER 754 Ca -0.09 -1.02 -0.16 0.00 1.31 0.00 0.00 55.95 55.99 3bvx s SER 754 Cb -0.09 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.95 3bvx s SER 754 CO -0.12 -0.07 0.34 -0.55 0.41 0.00 0.00 173.24 173.25 3bvx s SER 755 N -3.40 -0.22 -0.12 2.44 0.15 0.57 -0.40 113.70 112.72 3bvx s SER 755 Ca 0.26 0.11 0.01 0.00 0.70 0.00 0.00 55.95 57.04 3bvx s SER 755 Cb -0.03 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 3bvx s SER 755 CO 0.11 -0.47 -0.15 -0.69 1.20 0.00 0.00 173.24 173.23 3bvx s VAL 756 N -1.41 1.53 -0.00 4.45 1.01 -0.14 -1.04 120.40 124.79 3bvx s VAL 756 Ca -0.13 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3bvx s VAL 756 Cb -0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3bvx s VAL 756 CO 0.04 0.45 -0.20 -0.44 0.00 0.00 0.00 175.10 174.95 3bvx s SER 757 N 1.12 2.36 -0.01 3.32 0.01 -0.00 -0.77 113.70 119.73 3bvx s SER 757 Ca -0.04 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.83 3bvx s SER 757 Cb -0.14 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.85 3bvx s SER 757 CO -0.04 0.23 0.01 0.54 0.41 0.00 0.00 173.24 174.38 3bvx s VAL 758 N -0.54 0.00 -0.76 3.43 0.11 0.27 -0.38 120.40 122.53 3bvx s VAL 758 Ca 0.08 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 3bvx s VAL 758 Cb -0.08 -0.05 0.12 0.00 -1.53 0.00 0.00 36.38 34.84 3bvx s VAL 758 CO -0.00 0.04 0.94 -0.83 -3.33 0.00 0.00 175.10 171.91 3bvx s GLY 759 N 0.34 1.82 0.42 6.54 0.00 -1.05 -1.25 107.32 114.14 3bvx s GLY 759 Ca -0.03 -2.44 0.02 0.00 0.00 0.00 0.00 44.72 42.27 3bvx s GLY 759 CO -0.01 1.83 0.61 1.08 0.00 0.00 0.00 173.10 176.61 3bvx s LEU 760 N 2.79 3.74 0.08 0.66 1.43 0.26 -4.35 118.68 123.28 3bvx s LEU 760 Ca 0.23 0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.13 3bvx s LEU 760 Cb -0.14 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 3bvx s LEU 760 CO -0.00 -0.63 1.78 -2.84 0.23 0.00 0.00 176.35 174.89 3bvx s PRO 761 N -4.44 4.16 0.00 1.29 0.02 -1.26 -1.72 135.00 133.05 3bvx s PRO 761 Ca 0.48 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.98 3bvx s PRO 761 Cb -0.10 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.69 3bvx s PRO 761 CO 0.36 -0.83 0.00 0.43 -0.33 0.00 0.00 177.00 176.63 3bvx n SER 762 N 6.11 0.00 -3.68 2.53 7.64 -1.26 -4.97 113.62 120.00 3bvx n SER 762 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.91 3bvx n SER 762 Cb 0.40 -1.09 -0.14 0.00 -1.01 0.00 0.00 64.21 62.37 3bvx n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bvx s VAL 763 N -2.52 -0.29 -0.41 0.44 1.01 -0.70 -0.41 120.40 117.51 3bvx s VAL 763 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 3bvx s VAL 763 Cb 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.01 3bvx s VAL 763 CO 0.00 0.11 0.66 -0.69 0.00 0.00 0.00 175.10 175.18 3bvx s VAL 764 N 2.12 4.83 -0.18 2.92 1.01 -0.21 -0.58 120.40 130.31 3bvx s VAL 764 Ca -0.01 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3bvx s VAL 764 Cb -0.12 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3bvx s VAL 764 CO -0.08 -0.50 0.03 -2.28 0.00 0.00 0.00 175.10 172.28 3bvx s HIS 765 N 2.83 3.16 -0.03 5.22 5.04 -0.38 -0.47 115.29 130.66 3bvx s HIS 765 Ca 0.24 -0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 3bvx s HIS 765 Cb -0.14 -2.05 0.03 0.00 0.04 0.00 0.00 32.58 30.46 3bvx s HIS 765 CO 0.18 0.05 0.01 -1.14 -2.34 0.00 0.00 174.74 171.50 3bvx s GLN 766 N 0.47 0.25 -0.24 2.88 0.74 0.04 -0.57 119.66 123.24 3bvx s GLN 766 Ca 0.01 0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.47 3bvx s GLN 766 Cb -0.13 -0.49 -0.02 0.00 1.10 0.00 0.00 33.01 33.46 3bvx s GLN 766 CO 0.01 -0.17 0.04 0.99 -0.55 0.00 0.00 175.29 175.62 3bvx s THR 767 N 1.19 4.12 -0.06 -0.34 2.01 0.05 -0.50 115.64 122.11 3bvx s THR 767 Ca -0.07 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.74 3bvx s THR 767 Cb -0.13 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 3bvx s THR 767 CO -0.02 0.36 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.43 3bvx s ILE 768 N 1.51 2.41 -0.09 1.82 1.01 0.71 -0.97 121.20 127.60 3bvx s ILE 768 Ca 0.06 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3bvx s ILE 768 Cb -0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.43 3bvx s ILE 768 CO 0.02 0.57 -0.20 -0.04 0.00 0.00 0.00 174.94 175.29 3bvx s MET 769 N -0.33 2.66 -0.01 2.79 -1.94 0.47 -0.68 119.30 122.25 3bvx s MET 769 Ca 0.02 -0.74 0.01 0.00 -1.71 0.00 0.00 55.69 53.27 3bvx s MET 769 Cb -0.12 -2.06 0.02 0.00 2.01 0.00 0.00 34.83 34.67 3bvx s MET 769 CO 0.02 0.11 0.76 0.54 -0.01 0.00 0.00 175.02 176.44 3bvx n ARG 770 N 3.67 1.19 0.00 2.03 1.74 -1.26 -1.19 116.66 122.84 3bvx n ARG 770 Ca -0.20 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 3bvx n ARG 770 Cb 0.52 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3bvx n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bvx n GLY 771 N -0.26 2.01 0.00 -0.13 0.00 -1.26 -4.88 105.19 100.66 3bvx n GLY 771 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3bvx n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvx n GLY 772 N -0.53 5.14 3.73 -0.02 0.00 -1.26 -3.36 105.19 108.88 3bvx n GLY 772 Ca 0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3bvx n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bvx n ALA 773 N -3.00 1.93 -1.17 4.61 0.00 -1.26 -4.59 120.51 117.03 3bvx n ALA 773 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 3bvx n ALA 773 Cb 0.00 -2.36 0.10 0.00 0.00 0.00 0.00 19.45 17.19 3bvx n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bvx s PRO 774 N -1.30 2.03 -0.13 0.00 0.04 -1.24 -4.78 135.00 129.62 3bvx s PRO 774 Ca 0.59 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 3bvx s PRO 774 Cb -0.53 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3bvx s PRO 774 CO 0.57 -1.83 0.03 -2.00 0.04 0.00 0.00 177.00 173.81 3bvx s GLU 775 N -4.70 3.45 -0.12 4.56 2.12 0.15 -1.68 118.70 122.49 3bvx s GLU 775 Ca 0.64 -0.37 -0.00 0.00 0.36 0.00 0.00 54.97 55.60 3bvx s GLU 775 Cb -0.19 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 3bvx s GLU 775 CO 0.54 0.51 -0.10 0.42 -0.54 0.00 0.00 175.26 176.10 3bvx s ILE 776 N -0.33 3.39 -0.08 -3.70 -1.09 -0.33 -0.21 121.20 118.84 3bvx s ILE 776 Ca 0.08 -0.56 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 3bvx s ILE 776 Cb -0.12 -2.42 0.01 0.00 -1.58 0.00 0.00 42.46 38.35 3bvx s ILE 776 CO 0.02 0.54 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.98 3bvx s ARG 777 N 0.03 2.13 -0.18 2.79 0.52 0.34 -0.82 118.95 123.75 3bvx s ARG 777 Ca -0.03 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3bvx s ARG 777 Cb -0.14 -1.69 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3bvx s ARG 777 CO 0.04 0.07 -0.16 -0.80 0.02 0.00 0.00 175.30 174.47 3bvx s ASN 778 N 0.57 3.45 -0.48 0.23 0.01 -0.01 -0.78 114.94 117.93 3bvx s ASN 778 Ca -0.16 -0.57 -0.20 0.00 -0.71 0.00 0.00 52.86 51.22 3bvx s ASN 778 Cb -0.16 -1.55 0.04 0.00 0.41 0.00 0.00 41.25 39.99 3bvx s ASN 778 CO 0.05 0.01 0.64 -0.22 -1.51 0.00 0.00 177.10 176.08 3bvx s LEU 779 N 1.26 4.73 -0.28 0.60 2.96 0.38 -0.89 118.68 127.44 3bvx s LEU 779 Ca 0.03 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.20 3bvx s LEU 779 Cb -0.14 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 3bvx s LEU 779 CO -0.09 -0.86 0.14 -0.69 -1.32 0.00 0.00 176.35 173.53 3bvx s VAL 780 N 2.77 4.78 -0.39 1.68 1.01 0.61 -1.04 120.40 129.82 3bvx s VAL 780 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3bvx s VAL 780 Cb -0.17 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 33.03 3bvx s VAL 780 CO 0.15 0.22 0.19 -0.62 0.00 0.00 0.00 175.10 175.04 3bvx s ASP 781 N 1.67 3.68 0.00 3.32 3.68 0.45 -1.95 116.67 127.51 3bvx s ASP 781 Ca 0.06 -2.26 0.24 0.00 2.13 0.00 0.00 52.55 52.73 3bvx s ASP 781 Cb -0.16 -0.89 1.25 0.00 -1.45 0.00 0.00 42.92 41.67 3bvx s ASP 781 CO 0.07 -0.32 1.80 0.00 0.13 0.00 0.00 175.17 176.85 3bvx n ILE 782 N 4.02 0.20 -2.02 4.11 3.06 -1.26 -4.35 119.36 123.13 3bvx n ILE 782 Ca 0.06 0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 3bvx n ILE 782 Cb 0.37 -0.66 0.00 0.00 0.54 0.00 0.00 39.64 39.89 3bvx n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3bvx n GLY 783 N 0.71 2.65 1.24 4.50 0.00 -1.26 -1.51 105.19 111.51 3bvx n GLY 783 Ca 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 3bvx n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bvx n SER 784 N 3.88 3.12 -4.57 1.61 3.41 -1.26 -4.90 113.62 114.90 3bvx n SER 784 Ca 0.00 -3.52 -0.37 0.00 -0.26 0.00 0.00 58.87 54.72 3bvx n SER 784 Cb 0.00 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.28 3bvx n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bvx s LEU 785 N -3.12 3.47 0.60 1.04 1.43 -0.57 -4.96 118.68 116.57 3bvx s LEU 785 Ca 0.46 -1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 3bvx s LEU 785 Cb 0.40 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3bvx s LEU 785 CO 0.04 -1.86 1.21 -1.81 0.23 0.00 0.00 176.35 174.16 3bvx s ASP 786 N 5.55 5.15 -1.34 2.29 1.11 -1.26 -3.36 116.67 124.81 3bvx s ASP 786 Ca 0.56 2.38 -0.00 0.00 0.18 0.00 0.00 52.55 55.66 3bvx s ASP 786 Cb -0.00 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.39 3bvx s ASP 786 CO -0.00 -1.62 0.64 0.59 1.18 0.00 0.00 175.17 175.96 3bvx n ASN 787 N -1.65 -1.04 -3.94 0.27 3.02 0.38 -4.98 115.26 107.32 3bvx n ASN 787 Ca 0.14 -0.86 -0.16 0.00 -0.03 0.00 0.00 54.58 53.66 3bvx n ASN 787 Cb 0.50 -3.81 -0.15 0.00 -0.61 0.00 0.00 39.78 35.71 3bvx n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3bvx s THR 788 N -3.73 0.38 -0.11 3.41 2.01 -0.55 -3.92 115.64 113.13 3bvx s THR 788 Ca 0.02 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.87 3bvx s THR 788 Cb -0.01 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.17 3bvx s THR 788 CO 0.83 0.12 -0.20 -1.61 -0.69 0.00 0.00 174.62 173.07 3bvx s GLU 789 N 0.03 2.71 -0.24 4.92 2.02 -0.30 -0.89 118.70 126.96 3bvx s GLU 789 Ca 0.00 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 3bvx s GLU 789 Cb -0.04 -2.14 -0.05 0.00 0.10 0.00 0.00 34.13 32.00 3bvx s GLU 789 CO -0.00 0.06 0.20 0.42 0.02 0.00 0.00 175.26 175.96 3bvx s ILE 790 N 0.62 5.33 0.00 -1.63 1.01 -0.29 -0.72 121.20 125.54 3bvx s ILE 790 Ca -0.13 0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.85 3bvx s ILE 790 Cb -0.16 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3bvx s ILE 790 CO 0.04 0.33 -0.19 0.54 0.00 0.00 0.00 174.94 175.65 3bvx s VAL 791 N 1.12 2.66 -0.25 2.92 0.11 -0.24 -0.07 120.40 126.65 3bvx s VAL 791 Ca 0.09 -1.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 3bvx s VAL 791 Cb -0.14 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 3bvx s VAL 791 CO 0.05 0.46 0.11 -0.32 -3.33 0.00 0.00 175.10 172.07 3bvx s MET 792 N -1.05 3.80 0.07 1.54 1.75 -0.31 -1.27 119.30 123.83 3bvx s MET 792 Ca 0.13 -0.40 0.07 0.00 -1.25 0.00 0.00 55.69 54.23 3bvx s MET 792 Cb -0.10 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 3bvx s MET 792 CO 0.02 -0.13 -0.15 0.50 -0.65 0.00 0.00 175.02 174.62 3bvx s ARG 793 N 1.51 2.09 -0.14 4.11 3.52 0.58 -0.75 118.95 129.87 3bvx s ARG 793 Ca 0.06 -1.00 -0.02 0.00 -0.13 0.00 0.00 55.73 54.65 3bvx s ARG 793 Cb -0.15 -2.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 3bvx s ARG 793 CO 0.06 0.53 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.47 3bvx s LEU 794 N -1.76 2.93 -0.13 -0.88 1.43 0.11 -0.98 118.68 119.40 3bvx s LEU 794 Ca 0.17 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3bvx s LEU 794 Cb -0.11 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3bvx s LEU 794 CO 0.09 0.16 -0.12 -1.61 0.23 0.00 0.00 176.35 175.09 3bvx s GLU 795 N 0.39 3.40 0.35 1.70 2.02 0.15 -1.63 118.70 125.07 3bvx s GLU 795 Ca -0.08 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.30 3bvx s GLU 795 Cb -0.15 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3bvx s GLU 795 CO 0.04 0.21 0.25 0.95 0.02 0.00 0.00 175.26 176.73 3bvx s THR 796 N 0.38 0.12 -1.26 3.63 -4.23 -0.20 -1.14 115.64 112.92 3bvx s THR 796 Ca -0.10 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.60 3bvx s THR 796 Cb -0.16 -2.45 0.70 0.00 1.34 0.00 0.00 72.50 71.92 3bvx s THR 796 CO 0.05 0.00 1.60 1.41 -0.54 0.00 0.00 174.62 177.15 3bvx n HIS 797 N -0.69 1.36 -2.03 3.99 8.25 -1.26 -4.59 115.22 120.24 3bvx n HIS 797 Ca 0.05 -0.59 -0.42 0.00 -0.26 0.00 0.00 57.72 56.49 3bvx n HIS 797 Cb 0.63 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3bvx n HIS 797 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3bvx s ILE 798 N -1.69 2.89 -1.31 1.59 1.01 -1.26 -4.89 121.20 117.54 3bvx s ILE 798 Ca 0.50 0.64 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 3bvx s ILE 798 Cb 0.31 -3.41 0.15 0.00 0.01 0.00 0.00 42.46 39.52 3bvx s ILE 798 CO 0.26 0.05 1.99 -0.67 0.00 0.00 0.00 174.94 176.57 3bvx n ASP 799 N 3.85 5.47 0.10 3.58 4.64 -1.26 -2.57 116.55 130.36 3bvx n ASP 799 Ca 0.12 -3.09 0.12 0.00 -1.38 0.00 0.00 54.79 50.57 3bvx n ASP 799 Cb 0.40 -1.48 0.22 0.00 -1.04 0.00 0.00 41.12 39.22 3bvx n ASP 799 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3bvx h SER 800 N 5.58 0.00 0.00 1.67 4.64 -1.90 -3.42 113.55 120.13 3bvx h SER 800 Ca 0.46 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3bvx h SER 800 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3bvx h SER 800 CO 1.63 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 178.25 3bvx n GLY 801 N 1.27 2.83 0.58 -0.77 0.00 -1.26 -1.99 105.19 105.85 3bvx n GLY 801 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.01 3bvx n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bvx n ASP 802 N 9.53 2.90 -4.81 1.61 3.85 -1.26 -3.15 116.55 125.23 3bvx n ASP 802 Ca 0.00 -2.10 -0.35 0.00 -0.71 0.00 0.00 54.79 51.63 3bvx n ASP 802 Cb 0.00 -0.24 -0.07 0.00 -1.35 0.00 0.00 41.12 39.47 3bvx n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3bvx s ILE 803 N -1.18 4.99 0.27 2.12 -1.09 -0.84 0.06 121.20 125.52 3bvx s ILE 803 Ca 0.22 -0.15 -0.15 0.00 -2.23 0.00 0.00 60.65 58.34 3bvx s ILE 803 Cb 0.13 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 3bvx s ILE 803 CO 0.13 0.48 0.56 0.72 -1.23 0.00 0.00 174.94 175.60 3bvx s PHE 804 N -1.10 0.24 -0.02 3.97 -0.12 -0.67 -4.74 117.98 115.54 3bvx s PHE 804 Ca 0.19 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 3bvx s PHE 804 Cb -0.12 0.36 -0.00 0.00 -0.63 0.00 0.00 43.02 42.63 3bvx s PHE 804 CO 0.09 -1.11 -0.11 0.71 -0.05 0.00 0.00 175.22 174.76 3bvx s TYR 805 N -3.83 1.01 0.12 3.49 1.51 -0.09 0.31 117.35 119.88 3bvx s TYR 805 Ca 0.19 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 3bvx s TYR 805 Cb -0.02 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 3bvx s TYR 805 CO 0.09 -0.06 -0.08 0.95 -1.11 0.00 0.00 175.55 175.34 3bvx s THR 806 N -0.05 0.91 0.41 -0.71 -4.23 -0.95 -0.87 115.64 110.15 3bvx s THR 806 Ca 0.01 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3bvx s THR 806 Cb -0.06 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3bvx s THR 806 CO 0.00 -0.78 0.62 1.51 -0.54 0.00 0.00 174.62 175.43 3bvx s ASP 807 N -3.01 6.02 -0.24 3.99 3.84 -0.92 -0.84 116.67 125.50 3bvx s ASP 807 Ca 0.13 0.35 0.00 0.00 -0.00 0.00 0.00 52.55 53.03 3bvx s ASP 807 Cb 0.03 -1.72 0.04 0.00 -1.38 0.00 0.00 42.92 39.89 3bvx s ASP 807 CO -0.02 -0.54 -0.10 -0.76 -0.00 0.00 0.00 175.17 173.75 3bvx s LEU 808 N -4.46 3.12 -1.42 2.11 1.43 0.56 -4.36 118.68 115.64 3bvx s LEU 808 Ca 0.45 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3bvx s LEU 808 Cb -0.10 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3bvx s LEU 808 CO 0.37 -0.13 0.00 0.59 0.23 0.00 0.00 176.35 177.41 3bvx n ASN 809 N 4.58 -4.75 0.00 2.29 4.13 -1.26 -0.83 115.26 119.42 3bvx n ASN 809 Ca -0.16 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.23 3bvx n ASN 809 Cb 0.46 -4.03 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 3bvx n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bvx n GLY 810 N -0.83 0.26 0.09 7.41 0.00 -1.26 -0.51 105.19 110.35 3bvx n GLY 810 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3bvx n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bvx n LEU 811 N 0.00 2.49 -3.65 0.99 7.94 -0.01 -4.90 117.00 119.86 3bvx n LEU 811 Ca 0.00 -0.08 -0.12 0.00 -1.11 0.00 0.00 56.01 54.69 3bvx n LEU 811 Cb 0.24 -0.49 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 3bvx n LEU 811 CO 0.00 0.74 0.17 0.00 -1.11 0.00 0.00 177.39 177.19 3bvx s GLN 812 N -2.37 0.96 -0.14 1.96 -2.07 -1.19 -5.00 119.66 111.82 3bvx s GLN 812 Ca -0.22 -0.42 -0.02 0.00 -1.82 0.00 0.00 55.36 52.88 3bvx s GLN 812 Cb 0.06 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.39 3bvx s GLN 812 CO 0.46 -0.34 -0.08 -0.06 -1.32 0.00 0.00 175.29 173.95 3bvx s PHE 813 N -2.75 2.93 -0.06 9.60 0.40 -1.26 -0.32 117.98 126.52 3bvx s PHE 813 Ca -0.04 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 3bvx s PHE 813 Cb -0.00 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 3bvx s PHE 813 CO -0.04 -0.07 -0.17 -1.50 0.70 0.00 0.00 175.22 174.14 3bvx s ILE 814 N 0.24 2.78 0.14 0.64 2.07 -0.02 -1.86 121.20 125.18 3bvx s ILE 814 Ca -0.05 -0.82 -0.31 0.00 -1.41 0.00 0.00 60.65 58.06 3bvx s ILE 814 Cb -0.15 -2.08 -0.08 0.00 0.13 0.00 0.00 42.46 40.28 3bvx s ILE 814 CO 0.04 0.58 1.39 -0.75 -1.91 0.00 0.00 174.94 174.28 3bvx s LYS 815 N -0.47 4.32 0.08 3.50 2.20 -0.29 -2.24 119.74 126.85 3bvx s LYS 815 Ca 0.06 2.09 0.07 0.00 -0.36 0.00 0.00 55.97 57.83 3bvx s LYS 815 Cb -0.12 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3bvx s LYS 815 CO 0.02 -0.41 -0.13 1.03 -0.36 0.00 0.00 175.35 175.50 3bvx s ARG 816 N 0.83 2.11 -0.15 4.03 1.81 0.15 -4.96 118.95 122.78 3bvx s ARG 816 Ca 0.63 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 53.65 3bvx s ARG 816 Cb -0.37 -2.27 0.02 0.00 -0.45 0.00 0.00 34.95 31.87 3bvx s ARG 816 CO 0.32 0.52 -0.16 0.50 -0.68 0.00 0.00 175.30 175.80 3bvx s ARG 817 N -1.91 2.48 0.19 3.54 3.52 -1.26 -1.67 118.95 123.84 3bvx s ARG 817 Ca 0.19 -0.63 -0.31 0.00 -0.13 0.00 0.00 55.73 54.84 3bvx s ARG 817 Cb -0.11 -2.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.99 3bvx s ARG 817 CO 0.10 -0.19 1.57 0.50 -0.81 0.00 0.00 175.30 176.47 3bvx s ARG 818 N 1.33 4.21 -0.18 5.12 3.52 0.11 -4.99 118.95 128.06 3bvx s ARG 818 Ca 0.02 2.39 0.01 0.00 -0.13 0.00 0.00 55.73 58.02 3bvx s ARG 818 Cb -0.13 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 3bvx s ARG 818 CO -0.09 -0.60 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.11 3bvx s LEU 819 N 0.87 2.11 0.03 -0.88 1.43 -1.26 -4.90 118.68 116.08 3bvx s LEU 819 Ca 0.69 -0.66 0.23 0.00 -1.03 0.00 0.00 54.13 53.37 3bvx s LEU 819 Cb -0.44 -1.42 0.98 0.00 0.03 0.00 0.00 46.19 45.33 3bvx s LEU 819 CO 0.34 -0.02 1.75 0.47 0.23 0.00 0.00 176.35 179.11 3bvx n ASP 820 N 4.64 0.10 0.00 2.29 8.00 -1.26 -1.63 116.55 128.69 3bvx n ASP 820 Ca -0.20 0.52 0.10 0.00 0.71 0.00 0.00 54.79 55.92 3bvx n ASP 820 Cb 0.50 -0.54 0.49 0.00 -0.02 0.00 0.00 41.12 41.55 3bvx n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3bvx n LYS 821 N -1.60 0.13 -4.23 -1.24 2.85 -1.26 -4.74 118.16 108.08 3bvx n LYS 821 Ca 0.05 0.11 -0.27 0.00 -1.05 0.00 0.00 58.31 57.16 3bvx n LYS 821 Cb 0.28 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.08 3bvx n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bvx s LEU 822 N -2.81 3.22 0.82 -5.58 1.43 -0.65 -5.05 118.68 110.06 3bvx s LEU 822 Ca 0.15 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3bvx s LEU 822 Cb 0.14 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.56 3bvx s LEU 822 CO 0.36 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.98 3bvx s PRO 823 N -2.86 1.86 0.22 1.29 0.04 -1.26 -4.87 135.00 129.41 3bvx s PRO 823 Ca 0.26 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 3bvx s PRO 823 Cb -0.09 -1.89 0.31 0.00 0.04 0.00 0.00 34.50 32.87 3bvx s PRO 823 CO 0.17 -1.77 1.68 1.25 0.04 0.00 0.00 177.00 178.38 3bvx h LEU 824 N -1.20 -0.12 -1.77 -3.56 6.46 -1.96 -0.19 115.31 112.97 3bvx h LEU 824 Ca -0.48 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3bvx h LEU 824 Cb 1.28 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 3bvx h LEU 824 CO 0.59 -0.05 0.00 0.06 -0.62 0.00 0.00 178.44 178.42 3bvx h GLN 825 N 0.19 0.00 0.00 1.25 -0.00 -1.92 -0.06 115.11 114.58 3bvx h GLN 825 Ca 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.98 3bvx h GLN 825 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 3bvx h GLN 825 CO -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 178.83 178.34 3bvx h ALA 826 N 2.05 0.99 -0.11 0.06 0.00 -1.37 -3.11 119.26 117.75 3bvx h ALA 826 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bvx h ALA 826 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3bvx h ALA 826 CO 0.00 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3bvx n ASN 827 N -3.10 1.61 -4.78 0.00 3.02 -0.04 -4.59 115.26 107.38 3bvx n ASN 827 Ca 0.04 -1.63 -0.39 0.00 -0.03 0.00 0.00 54.58 52.56 3bvx n ASN 827 Cb 0.53 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 3bvx n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bvx s TYR 828 N -1.86 3.86 0.16 3.10 1.51 -1.18 -4.60 117.35 118.34 3bvx s TYR 828 Ca 0.34 1.51 0.03 0.00 -1.01 0.00 0.00 57.07 57.94 3bvx s TYR 828 Cb 0.19 -2.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.30 3bvx s TYR 828 CO 0.29 0.52 -0.05 0.71 -1.11 0.00 0.00 175.55 175.91 3bvx s TYR 829 N -1.04 1.24 0.34 2.71 1.51 -0.25 -4.66 117.35 117.19 3bvx s TYR 829 Ca 0.34 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 55.23 3bvx s TYR 829 Cb -0.22 -0.68 -0.10 0.00 -0.11 0.00 0.00 41.96 40.84 3bvx s TYR 829 CO 0.24 -0.06 1.38 -2.14 -1.11 0.00 0.00 175.55 173.86 3bvx s PRO 830 N -3.83 4.27 -0.74 -1.71 0.02 -1.26 -1.48 135.00 130.27 3bvx s PRO 830 Ca 0.20 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.59 3bvx s PRO 830 Cb 0.04 -3.04 0.21 0.00 0.02 0.00 0.00 34.50 31.73 3bvx s PRO 830 CO 0.02 -0.32 0.67 -0.89 -0.33 0.00 0.00 177.00 176.15 3bvx n ILE 831 N 0.87 2.27 0.20 2.83 2.08 0.13 -4.50 119.36 123.24 3bvx n ILE 831 Ca 0.01 -5.07 0.06 0.00 0.56 0.00 0.00 62.75 58.30 3bvx n ILE 831 Cb 0.41 -2.19 0.41 0.00 -0.75 0.00 0.00 39.64 37.51 3bvx n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3bvx h PRO 832 N 5.11 0.00 0.00 0.38 0.13 -1.78 -2.55 132.00 133.29 3bvx h PRO 832 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3bvx h PRO 832 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3bvx h PRO 832 CO 0.81 0.34 0.00 -1.13 -0.23 0.00 0.00 178.00 177.79 3bvx n SER 833 N -3.74 0.00 -3.59 1.44 3.41 -1.26 -3.74 113.62 106.13 3bvx n SER 833 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.61 3bvx n SER 833 Cb 0.43 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 3bvx n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bvx s GLY 834 N 0.00 -0.40 0.07 5.00 0.00 -1.26 -0.63 107.32 110.10 3bvx s GLY 834 Ca 0.00 1.18 -0.19 0.00 0.00 0.00 0.00 44.72 45.70 3bvx s GLY 834 CO 0.00 0.30 0.46 -3.16 0.00 0.00 0.00 173.10 170.70 3bvx s MET 835 N -2.15 1.02 0.11 2.90 0.23 -0.33 -2.17 119.30 118.92 3bvx s MET 835 Ca 0.14 -0.41 -0.15 0.00 -1.03 0.00 0.00 55.69 54.24 3bvx s MET 835 Cb 0.04 0.46 0.03 0.00 -1.53 0.00 0.00 34.83 33.83 3bvx s MET 835 CO -0.05 -0.38 0.37 -0.59 -2.03 0.00 0.00 175.02 172.34 3bvx s PHE 836 N -2.87 -0.15 0.14 3.16 -0.12 -0.04 -0.61 117.98 117.48 3bvx s PHE 836 Ca -0.03 -0.16 0.08 0.00 -0.05 0.00 0.00 56.93 56.77 3bvx s PHE 836 Cb -0.00 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 3bvx s PHE 836 CO -0.05 -0.66 -0.17 0.96 -0.05 0.00 0.00 175.22 175.24 3bvx s ILE 837 N -3.69 1.65 0.15 -4.49 -4.36 -0.75 -0.91 121.20 108.81 3bvx s ILE 837 Ca 0.02 -1.79 -0.19 0.00 -0.26 0.00 0.00 60.65 58.44 3bvx s ILE 837 Cb 0.02 -1.70 0.04 0.00 1.25 0.00 0.00 42.46 42.08 3bvx s ILE 837 CO -0.11 -0.30 0.49 -1.83 0.24 0.00 0.00 174.94 173.43 3bvx s GLU 838 N -2.60 1.20 0.00 0.37 -1.05 -1.26 -1.14 118.70 114.22 3bvx s GLU 838 Ca 0.12 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 3bvx s GLU 838 Cb -0.06 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 3bvx s GLU 838 CO 0.05 -0.50 0.00 -0.40 0.95 0.00 0.00 175.26 175.36 3bvx n ASP 839 N -0.30 1.15 0.26 0.83 5.68 -0.15 -4.14 116.55 119.89 3bvx n ASP 839 Ca -0.15 -0.12 0.08 0.00 -0.50 0.00 0.00 54.79 54.10 3bvx n ASP 839 Cb 0.64 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.27 3bvx n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bvx h ALA 840 N 1.00 1.96 0.00 2.12 0.00 -1.97 -3.34 119.26 119.03 3bvx h ALA 840 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3bvx h ALA 840 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3bvx h ALA 840 CO 0.00 0.01 -1.40 0.09 0.00 0.00 0.00 179.25 177.95 3bvx n ASN 841 N -4.49 3.46 -4.00 0.00 3.02 -1.26 -3.50 115.26 108.49 3bvx n ASN 841 Ca -0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.35 3bvx n ASN 841 Cb 0.10 0.81 -0.14 0.00 -0.61 0.00 0.00 39.78 39.93 3bvx n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3bvx s THR 842 N -2.22 0.57 0.01 3.41 2.01 -1.25 -0.60 115.64 117.56 3bvx s THR 842 Ca -0.03 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.60 3bvx s THR 842 Cb 0.02 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 3bvx s THR 842 CO 0.26 0.08 -0.15 -0.60 -0.69 0.00 0.00 174.62 173.53 3bvx s ARG 843 N -0.38 1.10 -0.15 4.92 3.52 -0.02 -0.97 118.95 126.97 3bvx s ARG 843 Ca 0.01 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 3bvx s ARG 843 Cb -0.04 -1.09 0.02 0.00 -1.56 0.00 0.00 34.95 32.28 3bvx s ARG 843 CO -0.00 0.29 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.41 3bvx s LEU 844 N -0.64 2.04 -0.09 -0.88 2.96 -0.29 -0.89 118.68 120.89 3bvx s LEU 844 Ca 0.04 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3bvx s LEU 844 Cb -0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3bvx s LEU 844 CO 0.00 0.03 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.98 3bvx s THR 845 N 1.10 2.57 -0.25 3.68 2.01 -0.01 -1.80 115.64 122.94 3bvx s THR 845 Ca -0.01 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3bvx s THR 845 Cb -0.14 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.38 3bvx s THR 845 CO -0.07 0.56 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.13 3bvx s LEU 846 N 0.02 3.22 0.08 4.42 2.96 0.22 -0.62 118.68 128.99 3bvx s LEU 846 Ca -0.07 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 52.92 3bvx s LEU 846 Cb -0.15 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3bvx s LEU 846 CO 0.05 -0.13 0.30 -0.76 -1.32 0.00 0.00 176.35 174.48 3bvx s LEU 847 N 1.33 4.32 -0.03 -0.68 2.01 -0.16 -1.18 118.68 124.29 3bvx s LEU 847 Ca 0.00 0.48 0.03 0.00 0.01 0.00 0.00 54.13 54.65 3bvx s LEU 847 Cb -0.17 -3.05 -0.00 0.00 0.01 0.00 0.00 46.19 42.98 3bvx s LEU 847 CO -0.04 0.14 -0.12 -0.89 1.01 0.00 0.00 176.35 176.44 3bvx s THR 848 N -1.53 1.03 -1.85 5.49 2.01 0.20 -1.50 115.64 119.48 3bvx s THR 848 Ca 0.36 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.93 3bvx s THR 848 Cb -0.13 -0.89 0.25 0.00 0.01 0.00 0.00 72.50 71.75 3bvx s THR 848 CO 0.24 0.31 1.18 0.61 -0.69 0.00 0.00 174.62 176.26 3bvx n GLY 849 N 3.14 0.51 3.57 4.40 0.00 -0.23 -4.60 105.19 111.97 3bvx n GLY 849 Ca -0.17 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 3bvx n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bvx s GLN 850 N -1.63 0.85 0.12 1.61 0.00 -1.26 -4.75 119.66 114.60 3bvx s GLN 850 Ca 0.19 0.43 -0.30 0.00 -0.00 0.00 0.00 55.36 55.68 3bvx s GLN 850 Cb 0.10 0.40 -0.06 0.00 0.00 0.00 0.00 33.01 33.46 3bvx s GLN 850 CO 0.12 -0.22 1.08 -1.25 0.00 0.00 0.00 175.29 175.02 3bvx s PRO 851 N -0.68 4.57 0.21 9.60 0.04 -1.25 -4.72 135.00 142.78 3bvx s PRO 851 Ca -0.05 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 3bvx s PRO 851 Cb -0.02 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3bvx s PRO 851 CO 0.04 0.01 0.24 -0.51 0.04 0.00 0.00 177.00 176.82 3bvx s LEU 852 N 0.20 0.90 0.26 -3.56 1.43 -0.96 -4.77 118.68 112.17 3bvx s LEU 852 Ca 0.51 -1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 3bvx s LEU 852 Cb -0.27 0.80 -0.07 0.00 0.03 0.00 0.00 46.19 46.68 3bvx s LEU 852 CO 0.32 -0.93 0.57 -0.83 0.23 0.00 0.00 176.35 175.70 3bvx s GLY 853 N -3.12 2.16 0.23 -3.19 0.00 -1.01 0.18 107.32 102.58 3bvx s GLY 853 Ca 0.34 -0.33 -0.21 0.00 0.00 0.00 0.00 44.72 44.52 3bvx s GLY 853 CO 0.11 -0.19 0.97 -0.32 0.00 0.00 0.00 173.10 173.67 3bvx s GLY 854 N -2.59 0.12 0.29 0.20 0.00 -0.55 -0.34 107.32 104.44 3bvx s GLY 854 Ca 0.47 -0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.66 3bvx s GLY 854 CO 0.24 1.47 0.83 -1.26 0.00 0.00 0.00 173.10 174.38 3bvx n SER 855 N -1.15 -1.94 -3.82 1.64 2.88 -0.37 -1.09 113.62 109.76 3bvx n SER 855 Ca -0.05 -2.23 -0.30 0.00 -1.33 0.00 0.00 58.87 54.96 3bvx n SER 855 Cb 0.60 3.21 -0.15 0.00 -0.75 0.00 0.00 64.21 67.11 3bvx n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3bvx s SER 856 N -3.07 4.06 0.00 -3.46 0.15 -1.26 -0.82 113.70 109.29 3bvx s SER 856 Ca 0.17 -1.60 0.26 0.00 0.70 0.00 0.00 55.95 55.48 3bvx s SER 856 Cb -0.04 -1.04 0.74 0.00 -1.71 0.00 0.00 66.02 63.97 3bvx s SER 856 CO 0.09 -0.37 1.56 0.18 1.20 0.00 0.00 173.24 175.89 3bvx n LEU 857 N 4.72 0.98 -3.62 3.45 4.77 -1.26 -4.81 117.00 121.23 3bvx n LEU 857 Ca -0.03 -0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 55.59 3bvx n LEU 857 Cb 0.43 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3bvx n LEU 857 CO 0.15 0.19 0.20 0.00 -1.33 0.00 0.00 177.39 176.59 3bvx s ALA 858 N -2.54 -1.10 0.22 -1.18 0.00 -1.26 -5.09 121.76 110.82 3bvx s ALA 858 Ca 0.23 0.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 3bvx s ALA 858 Cb 0.19 0.47 -0.14 0.00 0.00 0.00 0.00 23.12 23.64 3bvx s ALA 858 CO 0.53 -0.53 1.27 0.45 0.00 0.00 0.00 175.76 177.48 3bvx n SER 859 N 0.24 2.09 0.00 0.00 2.88 -1.19 -1.52 113.62 116.13 3bvx n SER 859 Ca -0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3bvx n SER 859 Cb 0.61 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 3bvx n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bvx n GLY 860 N 1.94 1.17 3.72 0.46 0.00 -1.06 -4.86 105.19 106.56 3bvx n GLY 860 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3bvx n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bvx s GLU 861 N -0.13 2.65 0.07 1.61 2.02 -0.58 -1.04 118.70 123.30 3bvx s GLU 861 Ca 0.00 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.19 3bvx s GLU 861 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 3bvx s GLU 861 CO 0.00 0.52 -0.17 -0.51 0.02 0.00 0.00 175.26 175.12 3bvx s LEU 862 N -2.58 2.25 0.00 1.80 1.43 -0.65 -4.48 118.68 116.46 3bvx s LEU 862 Ca 0.28 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3bvx s LEU 862 Cb -0.11 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.44 3bvx s LEU 862 CO 0.20 0.01 0.29 -1.83 0.23 0.00 0.00 176.35 175.25 3bvx s GLU 863 N -1.60 0.68 -0.10 1.70 -1.05 -0.00 0.07 118.70 118.40 3bvx s GLU 863 Ca 0.02 -0.28 -0.05 0.00 -0.15 0.00 0.00 54.97 54.51 3bvx s GLU 863 Cb -0.09 0.30 0.05 0.00 -0.44 0.00 0.00 34.13 33.94 3bvx s GLU 863 CO 0.03 -0.19 0.23 -1.50 0.95 0.00 0.00 175.26 174.77 3bvx s ILE 864 N -1.61 -0.08 0.27 1.83 2.07 0.07 -1.24 121.20 122.51 3bvx s ILE 864 Ca -0.12 0.17 -0.29 0.00 -1.41 0.00 0.00 60.65 59.00 3bvx s ILE 864 Cb -0.04 -0.37 -0.09 0.00 0.13 0.00 0.00 42.46 42.09 3bvx s ILE 864 CO 0.02 0.07 1.11 -0.32 -1.91 0.00 0.00 174.94 173.91 3bvx s MET 865 N 1.37 4.62 -0.25 3.50 -2.45 0.53 -1.16 119.30 125.47 3bvx s MET 865 Ca -0.08 1.82 -0.08 0.00 -1.25 0.00 0.00 55.69 56.10 3bvx s MET 865 Cb -0.11 -3.19 -0.16 0.00 1.25 0.00 0.00 34.83 32.63 3bvx s MET 865 CO -0.08 0.18 -0.20 1.04 1.05 0.00 0.00 175.02 177.00 3bvx n GLN 866 N 1.29 0.62 -3.69 4.11 1.13 0.90 -4.47 117.38 117.27 3bvx n GLN 866 Ca -0.01 0.24 -0.07 0.00 -1.94 0.00 0.00 57.00 55.23 3bvx n GLN 866 Cb 0.45 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 3bvx n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3bvx s ASP 867 N -7.03 -0.30 -0.12 1.08 2.15 -1.22 -4.83 116.67 106.40 3bvx s ASP 867 Ca -0.35 -0.33 -0.09 0.00 0.43 0.00 0.00 52.55 52.21 3bvx s ASP 867 Cb 0.11 0.57 0.04 0.00 -0.30 0.00 0.00 42.92 43.34 3bvx s ASP 867 CO 0.56 -1.01 0.30 0.00 -0.17 0.00 0.00 175.17 174.86 3bvx s ARG 868 N -3.54 0.32 -0.16 4.34 1.70 -1.26 -1.14 118.95 119.20 3bvx s ARG 868 Ca 0.09 0.50 -0.00 0.00 -0.47 0.00 0.00 55.73 55.84 3bvx s ARG 868 Cb -0.03 0.07 0.04 0.00 -0.57 0.00 0.00 34.95 34.46 3bvx s ARG 868 CO -0.01 -0.09 -0.05 0.50 -1.08 0.00 0.00 175.30 174.57 3bvx s ARG 869 N 0.61 1.45 -0.09 3.89 3.52 -0.07 -4.84 118.95 123.41 3bvx s ARG 869 Ca -0.04 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3bvx s ARG 869 Cb -0.05 -2.00 0.02 0.00 -1.56 0.00 0.00 34.95 31.36 3bvx s ARG 869 CO -0.04 -0.43 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.42 3bvx s LEU 870 N 1.63 1.40 0.36 -0.88 1.43 0.06 -0.47 118.68 122.21 3bvx s LEU 870 Ca 0.01 -0.30 0.19 0.00 -1.03 0.00 0.00 54.13 53.00 3bvx s LEU 870 Cb -0.15 -0.84 0.45 0.00 0.03 0.00 0.00 46.19 45.68 3bvx s LEU 870 CO -0.08 -0.05 1.62 0.00 0.23 0.00 0.00 176.35 178.07 3bvx h ALA 871 N 7.64 0.86 -2.43 4.21 0.00 -1.88 0.26 119.26 127.92 3bvx h ALA 871 Ca -0.31 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 3bvx h ALA 871 Cb 1.16 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3bvx h ALA 871 CO 0.44 0.42 -0.52 -1.12 0.00 0.00 0.00 179.25 178.47 3bvx s SER 872 N -6.33 5.72 0.37 0.00 0.01 -1.26 -4.18 113.70 108.02 3bvx s SER 872 Ca 0.03 -0.12 -0.22 0.00 1.31 0.00 0.00 55.95 56.95 3bvx s SER 872 Cb 0.08 -1.53 -0.10 0.00 0.21 0.00 0.00 66.02 64.68 3bvx s SER 872 CO 0.69 0.01 0.91 -0.62 0.41 0.00 0.00 173.24 174.65 3bvx s ASP 873 N -3.51 7.07 -0.27 2.44 -1.08 -1.26 -3.79 116.67 116.27 3bvx s ASP 873 Ca 0.32 1.69 0.12 0.00 -0.52 0.00 0.00 52.55 54.16 3bvx s ASP 873 Cb -0.09 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.42 3bvx s ASP 873 CO 0.25 -0.22 1.57 -0.90 0.52 0.00 0.00 175.17 176.39 3bvx n ASP 874 N -0.11 3.63 -2.25 -0.34 5.75 -1.26 -4.83 116.55 117.14 3bvx n ASP 874 Ca 0.04 -3.37 -0.18 0.00 -0.01 0.00 0.00 54.79 51.28 3bvx n ASP 874 Cb 0.52 -0.65 0.01 0.00 -1.03 0.00 0.00 41.12 39.98 3bvx n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bvx n GLU 875 N -0.68 -2.75 -0.05 0.11 1.02 -1.26 -4.87 120.64 112.15 3bvx n GLU 875 Ca 0.33 0.79 0.02 0.00 -0.02 0.00 0.00 57.16 58.28 3bvx n GLU 875 Cb 1.12 -5.29 0.05 0.00 -0.02 0.00 0.00 31.44 27.30 3bvx n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bvx n ARG 876 N -3.06 2.66 0.00 3.49 5.12 -1.26 -4.99 116.66 118.62 3bvx n ARG 876 Ca -0.15 -1.60 0.00 0.00 -1.93 0.00 0.00 57.85 54.17 3bvx n ARG 876 Cb 0.63 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 3bvx n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bvx n GLY 877 N -0.13 1.01 0.25 -0.13 0.00 -1.26 -4.98 105.19 99.95 3bvx n GLY 877 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3bvx n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bvx h LEU 878 N 0.00 0.81 0.12 0.99 5.85 -1.94 -3.48 115.31 117.67 3bvx h LEU 878 Ca 0.00 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3bvx h LEU 878 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3bvx h LEU 878 CO 0.00 1.07 -0.04 0.61 -0.34 0.00 0.00 178.44 179.74 3bvx n GLY 879 N -0.05 0.51 3.48 3.75 0.00 -1.26 -4.83 105.19 106.78 3bvx n GLY 879 Ca -0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3bvx n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bvx s GLN 880 N -2.41 0.98 0.00 1.61 -2.07 -1.26 -4.98 119.66 111.52 3bvx s GLN 880 Ca 0.00 -0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 3bvx s GLN 880 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3bvx s GLN 880 CO 0.00 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 3bvx n GLY 881 N -0.22 -0.68 2.96 2.60 0.00 -1.25 -4.20 105.19 104.41 3bvx n GLY 881 Ca -0.12 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 3bvx n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bvx s VAL 882 N -0.07 2.36 -0.07 1.61 1.01 0.90 -4.87 120.40 121.27 3bvx s VAL 882 Ca 0.00 -2.84 0.10 0.00 0.00 0.00 0.00 61.98 59.24 3bvx s VAL 882 Cb 0.00 -2.68 0.17 0.00 0.00 0.00 0.00 36.38 33.87 3bvx s VAL 882 CO 0.00 -0.72 1.08 0.18 0.00 0.00 0.00 175.10 175.64 3bvx n LEU 883 N 3.63 1.23 -1.07 3.92 4.77 -1.26 -0.76 117.00 127.46 3bvx n LEU 883 Ca 0.05 -2.12 -0.00 0.00 -0.03 0.00 0.00 56.01 53.90 3bvx n LEU 883 Cb 0.36 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.45 3bvx n LEU 883 CO 0.28 0.52 0.71 -0.90 -1.33 0.00 0.00 177.39 176.67 3bvx n ASP 884 N -0.68 2.90 -4.64 -1.43 3.85 -1.26 -5.05 116.55 110.24 3bvx n ASP 884 Ca 0.08 -3.53 -0.38 0.00 -0.71 0.00 0.00 54.79 50.25 3bvx n ASP 884 Cb 0.69 -0.61 0.05 0.00 -1.35 0.00 0.00 41.12 39.90 3bvx n ASP 884 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3bvx n ASN 885 N -0.96 1.09 -3.98 -1.12 4.13 -1.26 -5.03 115.26 108.12 3bvx n ASN 885 Ca 0.30 0.84 -0.08 0.00 1.68 0.00 0.00 54.58 57.31 3bvx n ASN 885 Cb 0.99 -1.42 -0.09 0.00 -1.54 0.00 0.00 39.78 37.72 3bvx n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3bvx s LYS 886 N -2.77 0.62 0.30 3.52 -2.85 -1.26 -4.96 119.74 112.34 3bvx s LYS 886 Ca 0.75 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 54.46 3bvx s LYS 886 Cb -0.42 0.23 -0.12 0.00 -2.06 0.00 0.00 37.83 35.46 3bvx s LYS 886 CO 0.47 -0.15 1.46 -2.30 0.10 0.00 0.00 175.35 174.93 3bvx n PRO 887 N 0.42 2.39 -4.13 1.78 -0.02 -1.26 -4.80 135.00 129.37 3bvx n PRO 887 Ca -0.17 0.84 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 3bvx n PRO 887 Cb 0.60 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 3bvx n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bvx s VAL 888 N -0.44 0.38 -0.52 -1.45 0.11 -0.82 -4.87 120.40 112.78 3bvx s VAL 888 Ca 0.62 -0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 3bvx s VAL 888 Cb -0.55 -0.34 0.10 0.00 -1.53 0.00 0.00 36.38 34.06 3bvx s VAL 888 CO 0.54 0.12 0.51 -0.22 -3.33 0.00 0.00 175.10 172.72 3bvx s LEU 889 N 0.02 5.78 0.17 2.54 2.96 -1.26 -0.29 118.68 128.60 3bvx s LEU 889 Ca 0.00 -1.51 -0.23 0.00 -0.22 0.00 0.00 54.13 52.17 3bvx s LEU 889 Cb -0.03 -2.24 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 3bvx s LEU 889 CO -0.00 -0.83 0.74 -1.00 -1.32 0.00 0.00 176.35 173.94 3bvx s HIS 890 N 1.86 3.84 0.07 5.38 3.76 -0.07 -4.91 115.29 125.22 3bvx s HIS 890 Ca 0.06 1.54 0.07 0.00 -0.15 0.00 0.00 55.06 56.58 3bvx s HIS 890 Cb -0.26 -2.71 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 3bvx s HIS 890 CO 0.05 0.48 -0.18 0.96 -0.85 0.00 0.00 174.74 175.21 3bvx s ILE 891 N -1.24 1.43 0.13 0.60 -4.36 -1.26 -0.83 121.20 115.67 3bvx s ILE 891 Ca 0.37 -1.33 -0.11 0.00 -0.26 0.00 0.00 60.65 59.32 3bvx s ILE 891 Cb -0.21 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.20 3bvx s ILE 891 CO 0.24 -0.06 0.29 -0.31 0.24 0.00 0.00 174.94 175.35 3bvx s TYR 892 N -1.09 0.16 0.05 1.37 1.51 0.00 -1.07 117.35 118.29 3bvx s TYR 892 Ca 0.03 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.62 3bvx s TYR 892 Cb -0.09 0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 3bvx s TYR 892 CO 0.03 -0.67 -0.19 1.03 -1.11 0.00 0.00 175.55 174.63 3bvx s ARG 893 N -3.89 1.25 -0.21 -0.62 1.81 -0.56 -1.19 118.95 115.53 3bvx s ARG 893 Ca 0.10 -0.92 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 3bvx s ARG 893 Cb 0.03 -1.35 0.04 0.00 -0.45 0.00 0.00 34.95 33.22 3bvx s ARG 893 CO -0.06 0.34 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.60 3bvx s LEU 894 N -1.24 2.52 -0.28 2.53 2.96 -0.68 -0.98 118.68 123.51 3bvx s LEU 894 Ca 0.06 -0.94 0.02 0.00 -0.22 0.00 0.00 54.13 53.04 3bvx s LEU 894 Cb -0.09 -1.38 0.06 0.00 0.50 0.00 0.00 46.19 45.29 3bvx s LEU 894 CO 0.02 -0.12 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.18 3bvx s VAL 895 N 1.30 2.41 -0.15 1.68 1.01 0.21 -3.60 120.40 123.25 3bvx s VAL 895 Ca -0.01 -1.65 -0.14 0.00 0.00 0.00 0.00 61.98 60.17 3bvx s VAL 895 Cb -0.16 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 3bvx s VAL 895 CO -0.09 -0.12 0.32 -0.22 0.00 0.00 0.00 175.10 175.00 3bvx s LEU 896 N 1.12 4.25 0.02 3.92 2.96 -1.26 -0.83 118.68 128.86 3bvx s LEU 896 Ca -0.06 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3bvx s LEU 896 Cb -0.20 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 3bvx s LEU 896 CO -0.04 0.08 0.03 -1.61 -1.32 0.00 0.00 176.35 173.49 3bvx s GLU 897 N 0.49 0.39 -0.04 1.98 2.02 -0.07 -5.01 118.70 118.46 3bvx s GLU 897 Ca 0.18 -0.56 -0.28 0.00 0.02 0.00 0.00 54.97 54.33 3bvx s GLU 897 Cb -0.13 0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 3bvx s GLU 897 CO 0.05 -0.08 0.92 0.15 0.02 0.00 0.00 175.26 176.32 3bvx s LYS 898 N -1.54 4.50 -0.02 1.61 -0.14 -1.26 -0.84 119.74 122.05 3bvx s LYS 898 Ca -0.15 1.29 0.03 0.00 -1.36 0.00 0.00 55.97 55.78 3bvx s LYS 898 Cb -0.08 -3.48 0.04 0.00 -1.68 0.00 0.00 37.83 32.63 3bvx s LYS 898 CO -0.00 -0.08 0.90 1.33 -0.76 0.00 0.00 175.35 176.73 3bvx n VAL 899 N 4.02 0.81 0.29 3.17 0.24 0.23 -4.76 118.33 122.33 3bvx n VAL 899 Ca 0.05 -0.86 0.17 0.00 -2.04 0.00 0.00 64.34 61.66 3bvx n VAL 899 Cb 0.51 0.52 0.80 0.00 -1.47 0.00 0.00 33.84 34.19 3bvx n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3bvx h ASN 900 N 0.00 0.00 -0.04 -1.34 -1.07 -1.59 -1.56 115.58 109.98 3bvx h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3bvx h ASN 900 Cb 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 3bvx h ASN 900 CO 0.00 0.03 0.00 0.59 0.07 0.00 0.00 177.43 178.12 3bvx n ASN 901 N -3.18 2.11 -4.76 6.14 5.03 -1.26 -4.95 115.26 114.39 3bvx n ASN 901 Ca -0.01 -1.71 -0.39 0.00 0.87 0.00 0.00 54.58 53.35 3bvx n ASN 901 Cb 0.25 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 3bvx n ASN 901 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bvx s VAL 903 N -1.36 4.31 0.30 0.00 1.01 -0.29 -4.99 120.40 119.38 3bvx s VAL 903 Ca 0.46 0.58 0.08 0.00 0.00 0.00 0.00 61.98 63.10 3bvx s VAL 903 Cb -0.24 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 3bvx s VAL 903 CO 0.30 -1.10 0.15 -0.13 0.00 0.00 0.00 175.10 174.32 3bvx s ARG 904 N 4.16 2.55 0.86 2.72 0.52 -1.26 -4.40 118.95 124.10 3bvx s ARG 904 Ca 0.36 -1.36 -0.11 0.00 -0.52 0.00 0.00 55.73 54.10 3bvx s ARG 904 Cb -0.10 -2.32 0.11 0.00 0.52 0.00 0.00 34.95 33.16 3bvx s ARG 904 CO 0.23 0.23 1.16 -2.14 0.02 0.00 0.00 175.30 174.80 3bvx s PRO 905 N -3.84 1.38 0.97 3.54 0.02 -1.26 -4.93 135.00 130.89 3bvx s PRO 905 Ca 0.36 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 3bvx s PRO 905 Cb -0.05 -1.77 0.17 0.00 0.02 0.00 0.00 34.50 32.88 3bvx s PRO 905 CO 0.23 -2.37 1.09 -1.54 -0.33 0.00 0.00 177.00 174.08 3bvx s SER 906 N -2.60 2.69 0.57 2.53 1.04 -1.26 -4.90 113.70 111.76 3bvx s SER 906 Ca 0.68 1.61 0.26 0.00 0.48 0.00 0.00 55.95 58.98 3bvx s SER 906 Cb -0.24 -2.26 1.59 0.00 0.10 0.00 0.00 66.02 65.21 3bvx s SER 906 CO 0.55 -3.15 2.15 0.11 0.98 0.00 0.00 173.24 173.88 3bvx h LYS 907 N -1.90 0.00 -0.00 4.02 1.57 -2.00 -1.26 116.57 117.01 3bvx h LYS 907 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3bvx h LYS 907 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3bvx h LYS 907 CO 0.51 0.00 -0.30 1.28 -0.57 0.00 0.00 179.45 180.37 3bvx n LEU 908 N -4.04 0.46 -4.74 2.94 4.77 -1.26 -4.92 117.00 110.21 3bvx n LEU 908 Ca 0.00 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 3bvx n LEU 908 Cb 0.23 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3bvx n LEU 908 CO 0.30 0.10 0.77 -2.28 -1.33 0.00 0.00 177.39 174.95 3bvx s HIS 909 N -2.85 3.64 -1.81 -1.77 2.46 -0.48 -4.93 115.29 109.55 3bvx s HIS 909 Ca 0.16 1.66 0.31 0.00 0.47 0.00 0.00 55.06 57.66 3bvx s HIS 909 Cb 0.18 -3.23 1.59 0.00 -0.13 0.00 0.00 32.58 30.99 3bvx s HIS 909 CO 0.61 -0.44 2.06 -0.35 -2.47 0.00 0.00 174.74 174.15 3bvx n PRO 910 N 2.12 0.83 -4.13 2.88 -0.05 -1.26 -4.89 135.00 130.51 3bvx n PRO 910 Ca 0.02 -0.13 -0.23 0.00 -0.05 0.00 0.00 63.50 63.11 3bvx n PRO 910 Cb 0.46 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 32.35 3bvx n PRO 910 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3bvx s ALA 911 N -2.26 3.45 0.31 0.55 0.00 -1.26 -1.14 121.76 121.41 3bvx s ALA 911 Ca 0.38 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.67 3bvx s ALA 911 Cb 0.21 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 3bvx s ALA 911 CO 0.41 0.13 0.09 0.20 0.00 0.00 0.00 175.76 176.60 3bvx s GLY 912 N -3.81 2.01 0.01 0.00 0.00 -0.78 -4.75 107.32 100.00 3bvx s GLY 912 Ca 0.35 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 3bvx s GLY 912 CO 0.23 -1.71 0.01 -0.19 0.00 0.00 0.00 173.10 171.43 3bvx s TYR 913 N -3.49 0.12 0.67 1.90 1.51 -1.26 -4.02 117.35 112.77 3bvx s TYR 913 Ca 0.35 -0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 56.05 3bvx s TYR 913 Cb 0.07 -0.09 -0.00 0.00 -0.11 0.00 0.00 41.96 41.83 3bvx s TYR 913 CO 0.15 -0.12 1.06 -0.51 -1.11 0.00 0.00 175.55 175.02 3bvx s LEU 914 N -0.80 3.23 0.74 -1.29 1.43 -1.26 -4.66 118.68 116.07 3bvx s LEU 914 Ca -0.09 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 3bvx s LEU 914 Cb -0.05 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.70 3bvx s LEU 914 CO -0.00 -1.41 1.11 0.42 0.23 0.00 0.00 176.35 176.70 3bvx s THR 915 N -2.86 2.90 0.20 5.49 -4.23 -1.26 -0.63 115.64 115.24 3bvx s THR 915 Ca 0.60 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 3bvx s THR 915 Cb -0.15 -3.28 0.12 0.00 1.34 0.00 0.00 72.50 70.53 3bvx s THR 915 CO 0.50 -0.36 1.76 -1.28 -0.54 0.00 0.00 174.62 174.69 3bvx h SER 916 N -0.78 0.27 -0.07 3.99 0.87 -1.94 -0.58 113.55 115.31 3bvx h SER 916 Ca -0.45 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 3bvx h SER 916 Cb 1.28 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 3bvx h SER 916 CO 0.64 0.17 -0.27 0.00 -0.53 0.00 0.00 176.83 176.85 3bvx h ALA 917 N 1.37 1.05 -0.10 6.23 0.00 -1.99 -0.30 119.26 125.52 3bvx h ALA 917 Ca 0.28 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3bvx h ALA 917 Cb 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3bvx h ALA 917 CO -0.26 0.58 -0.70 0.00 0.00 0.00 0.00 179.25 178.86 3bvx h ALA 918 N 1.27 0.59 -0.21 0.00 0.00 -1.84 -0.65 119.26 118.42 3bvx h ALA 918 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3bvx h ALA 918 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3bvx h ALA 918 CO 0.05 0.74 0.08 1.25 0.00 0.00 0.00 179.25 181.38 3bvx h HIS 919 N 0.33 0.32 -0.69 0.00 2.76 -0.79 -0.56 115.15 116.52 3bvx h HIS 919 Ca -0.03 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3bvx h HIS 919 Cb 1.28 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 3bvx h HIS 919 CO 0.05 0.36 0.41 0.87 -1.30 0.00 0.00 177.93 178.31 3bvx h LYS 920 N 0.18 0.93 -0.54 5.26 1.57 -0.99 -0.85 116.57 122.13 3bvx h LYS 920 Ca 0.07 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3bvx h LYS 920 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3bvx h LYS 920 CO -0.01 0.65 0.02 0.00 -0.57 0.00 0.00 179.45 179.55 3bvx h ALA 921 N 1.51 1.02 -0.53 3.86 0.00 -0.78 -0.48 119.26 123.86 3bvx h ALA 921 Ca 0.25 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3bvx h ALA 921 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3bvx h ALA 921 CO -0.05 0.61 0.15 1.03 0.00 0.00 0.00 179.25 180.99 3bvx h SER 922 N 0.84 0.78 -0.14 0.00 0.87 -0.47 -2.28 113.55 113.16 3bvx h SER 922 Ca 0.16 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3bvx h SER 922 Cb 0.47 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3bvx h SER 922 CO 0.02 0.79 0.02 1.56 -0.53 0.00 0.00 176.83 178.69 3bvx h GLN 923 N 0.73 0.32 0.00 2.24 4.20 -0.73 -0.73 115.11 121.14 3bvx h GLN 923 Ca 0.17 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3bvx h GLN 923 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3bvx h GLN 923 CO -0.00 0.33 -0.22 0.66 -0.67 0.00 0.00 178.83 178.93 3bvx h SER 924 N 0.32 0.00 0.12 1.46 4.64 -0.51 0.49 113.55 120.06 3bvx h SER 924 Ca 0.08 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.14 3bvx h SER 924 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3bvx h SER 924 CO 0.00 0.22 -1.25 -0.07 -0.87 0.00 0.00 176.83 174.86 3bvx h LEU 925 N 0.00 0.39 0.07 5.97 3.38 -1.06 -3.34 115.31 120.73 3bvx h LEU 925 Ca -0.00 -0.87 -0.30 0.00 0.09 0.00 0.00 57.88 56.79 3bvx h LEU 925 Cb 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3bvx h LEU 925 CO 0.03 1.56 -1.63 -0.07 0.09 0.00 0.00 178.44 178.42 3bvx h LEU 926 N -0.34 0.24 -6.00 1.67 3.38 -1.02 -3.40 115.31 109.84 3bvx h LEU 926 Ca -0.26 -0.41 -0.56 0.00 0.09 0.00 0.00 57.88 56.74 3bvx h LEU 926 Cb 1.72 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.99 3bvx h LEU 926 CO 0.08 1.35 -0.97 0.47 0.09 0.00 0.00 178.44 179.46 3bvx n ASP 927 N -3.33 1.44 -4.48 -0.43 8.00 0.15 -4.61 116.55 113.29 3bvx n ASP 927 Ca -0.18 -2.99 -0.29 0.00 0.71 0.00 0.00 54.79 52.04 3bvx n ASP 927 Cb 1.04 -0.64 0.21 0.00 -0.02 0.00 0.00 41.12 41.71 3bvx n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3bvx s PRO 928 N -1.84 -0.34 0.48 -0.24 0.04 -1.24 -4.70 135.00 127.16 3bvx s PRO 928 Ca 0.38 0.48 -0.24 0.00 0.04 0.00 0.00 61.00 61.66 3bvx s PRO 928 Cb 0.20 -1.65 -0.07 0.00 0.04 0.00 0.00 34.50 33.01 3bvx s PRO 928 CO -0.08 -3.24 1.39 1.28 0.04 0.00 0.00 177.00 176.38 3bvx n LEU 929 N -4.53 5.12 -4.84 -3.56 4.77 -1.26 -4.77 117.00 107.93 3bvx n LEU 929 Ca 0.06 1.07 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 3bvx n LEU 929 Cb 0.57 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 3bvx n LEU 929 CO 0.56 -0.37 0.21 -1.81 -1.33 0.00 0.00 177.39 174.65 3bvx s ASP 930 N -0.63 6.83 -0.10 -1.43 1.01 -0.05 -4.90 116.67 117.40 3bvx s ASP 930 Ca 0.65 1.05 0.03 0.00 0.71 0.00 0.00 52.55 54.99 3bvx s ASP 930 Cb -0.44 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3bvx s ASP 930 CO 0.55 0.15 -0.21 -0.54 0.21 0.00 0.00 175.17 175.33 3bvx s LYS 931 N -1.80 2.68 -0.05 8.23 1.02 -1.26 -0.98 119.74 127.58 3bvx s LYS 931 Ca 0.35 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.65 3bvx s LYS 931 Cb -0.15 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3bvx s LYS 931 CO 0.19 0.12 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.45 3bvx s PHE 932 N 0.49 2.15 -0.18 3.18 0.40 0.43 -0.84 117.98 123.61 3bvx s PHE 932 Ca -0.16 -0.65 -0.03 0.00 -0.60 0.00 0.00 56.93 55.48 3bvx s PHE 932 Cb -0.17 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3bvx s PHE 932 CO 0.06 -0.21 -0.06 0.42 0.70 0.00 0.00 175.22 176.13 3bvx s ILE 933 N -0.04 3.42 0.20 0.64 1.01 0.02 -0.77 121.20 125.68 3bvx s ILE 933 Ca -0.05 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 3bvx s ILE 933 Cb -0.13 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 3bvx s ILE 933 CO 0.03 0.46 1.55 0.12 0.00 0.00 0.00 174.94 177.11 3bvx s PHE 934 N 0.94 3.01 -0.16 3.97 5.36 -0.65 -1.63 117.98 128.83 3bvx s PHE 934 Ca -0.01 0.72 0.17 0.00 -0.96 0.00 0.00 56.93 56.85 3bvx s PHE 934 Cb -0.15 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.58 3bvx s PHE 934 CO 0.01 -3.32 1.13 0.00 -1.46 0.00 0.00 175.22 171.58 3bvx h ALA 935 N 6.18 0.66 -6.07 11.12 0.00 -0.96 -3.47 119.26 126.72 3bvx h ALA 935 Ca -0.44 -0.58 -0.43 0.00 0.00 0.00 0.00 54.91 53.46 3bvx h ALA 935 Cb 1.21 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3bvx h ALA 935 CO 0.87 0.68 -0.10 0.39 0.00 0.00 0.00 179.25 181.10 3bvx n GLU 936 N -3.02 0.69 0.08 0.00 -0.58 -1.26 -5.03 120.64 111.53 3bvx n GLU 936 Ca -0.03 -2.73 -0.13 0.00 -0.42 0.00 0.00 57.16 53.85 3bvx n GLU 936 Cb 0.76 -0.09 -0.07 0.00 -0.57 0.00 0.00 31.44 31.47 3bvx n GLU 936 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3bvx h ASN 937 N 0.19 0.42 -3.56 1.62 2.35 -1.97 -3.45 115.58 111.18 3bvx h ASN 937 Ca -0.25 -0.38 -0.45 0.00 -0.55 0.00 0.00 56.30 54.68 3bvx h ASN 937 Cb 1.07 -0.13 -0.33 0.00 0.05 0.00 0.00 38.32 38.98 3bvx h ASN 937 CO 0.36 1.21 -0.79 -0.70 -1.65 0.00 0.00 177.43 175.87 3bvx s GLU 938 N -3.03 1.16 -0.63 0.81 2.12 -1.26 -4.96 118.70 112.91 3bvx s GLU 938 Ca -0.04 -0.27 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 3bvx s GLU 938 Cb 0.09 -1.04 0.16 0.00 0.26 0.00 0.00 34.13 33.59 3bvx s GLU 938 CO 0.86 0.02 0.57 -0.46 -0.54 0.00 0.00 175.26 175.71 3bvx s TRP 939 N 0.60 3.45 0.13 5.30 -0.00 -1.26 -5.06 118.94 122.10 3bvx s TRP 939 Ca -0.10 -1.64 -0.30 0.00 -0.00 0.00 0.00 56.10 54.05 3bvx s TRP 939 Cb -0.13 -3.75 -0.07 0.00 -0.00 0.00 0.00 33.47 29.52 3bvx s TRP 939 CO 0.01 -1.00 1.15 0.42 -0.00 0.00 0.00 176.95 177.53 3bvx s ILE 940 N 1.03 3.91 0.00 5.86 1.01 -1.26 -2.96 121.20 128.80 3bvx s ILE 940 Ca 0.09 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3bvx s ILE 940 Cb -0.23 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3bvx s ILE 940 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3bvx n GLY 941 N 2.53 0.75 3.76 6.18 0.00 -1.26 -4.80 105.19 112.35 3bvx n GLY 941 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3bvx n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bvx s ALA 942 N -2.17 3.18 0.25 4.61 0.00 -1.16 -0.97 121.76 125.51 3bvx s ALA 942 Ca 0.00 1.47 0.11 0.00 0.00 0.00 0.00 51.96 53.54 3bvx s ALA 942 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3bvx s ALA 942 CO 0.00 -1.26 -0.11 -0.65 0.00 0.00 0.00 175.76 173.74 3bvx s GLN 943 N -2.53 1.95 0.17 0.00 -0.21 0.46 -4.86 119.66 114.64 3bvx s GLN 943 Ca 0.63 -1.54 0.21 0.00 0.02 0.00 0.00 55.36 54.67 3bvx s GLN 943 Cb -0.44 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 3bvx s GLN 943 CO 0.56 0.36 1.00 0.78 -2.12 0.00 0.00 175.29 175.87 3bvx h GLY 944 N 2.30 0.00 -3.64 3.09 0.00 -1.88 -3.43 103.07 99.51 3bvx h GLY 944 Ca -0.43 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3bvx h GLY 944 CO 0.58 0.00 0.08 1.62 0.00 0.00 0.00 176.54 178.83 3bvx s GLN 945 N -3.24 1.07 -0.02 4.80 0.74 -1.26 -1.36 119.66 120.39 3bvx s GLN 945 Ca -0.01 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.25 3bvx s GLN 945 Cb 0.09 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.69 3bvx s GLN 945 CO 0.79 -0.39 -0.08 0.12 -0.55 0.00 0.00 175.29 175.19 3bvx s PHE 946 N -2.36 0.78 0.00 1.67 5.36 -0.50 -4.89 117.98 118.03 3bvx s PHE 946 Ca -0.06 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 3bvx s PHE 946 Cb -0.01 -0.55 0.00 0.00 -0.34 0.00 0.00 43.02 42.13 3bvx s PHE 946 CO -0.01 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.10 3bvx n GLY 947 N 3.16 0.79 0.31 13.12 0.00 -1.26 -1.12 105.19 120.19 3bvx n GLY 947 Ca -0.16 -0.05 0.18 0.00 0.00 0.00 0.00 46.02 45.99 3bvx n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bvx h GLY 948 N 0.00 0.00 -2.70 -0.02 0.00 -1.90 0.48 103.07 98.93 3bvx h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bvx h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3bvx n ASP 949 N -3.48 3.93 -4.77 0.19 5.75 -1.26 -4.94 116.55 111.98 3bvx n ASP 949 Ca -0.03 -2.02 -0.40 0.00 -0.01 0.00 0.00 54.79 52.33 3bvx n ASP 949 Cb 0.09 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 3bvx n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3bvx s HIS 950 N -1.07 3.03 0.36 2.11 3.76 0.16 -4.97 115.29 118.68 3bvx s HIS 950 Ca 0.49 1.44 -0.28 0.00 -0.15 0.00 0.00 55.06 56.55 3bvx s HIS 950 Cb 0.26 -3.64 -0.11 0.00 1.11 0.00 0.00 32.58 30.20 3bvx s HIS 950 CO 0.33 -1.80 1.43 -2.14 -0.85 0.00 0.00 174.74 171.71 3bvx s PRO 951 N -1.89 4.19 -0.48 8.40 0.02 -1.26 -4.70 135.00 139.28 3bvx s PRO 951 Ca 0.51 2.46 -0.16 0.00 0.02 0.00 0.00 61.00 63.83 3bvx s PRO 951 Cb -0.39 -3.00 0.08 0.00 0.02 0.00 0.00 34.50 31.21 3bvx s PRO 951 CO 0.51 -0.43 0.41 0.45 -0.33 0.00 0.00 177.00 177.61 3bvx s SER 952 N -0.24 6.15 0.47 2.53 0.15 -1.26 -4.63 113.70 116.86 3bvx s SER 952 Ca 0.52 -1.38 -0.06 0.00 0.70 0.00 0.00 55.95 55.73 3bvx s SER 952 Cb -0.44 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3bvx s SER 952 CO 0.60 -0.67 0.79 0.00 1.20 0.00 0.00 173.24 175.15 3bvx s ALA 953 N 1.64 3.39 0.60 5.45 0.00 -0.02 -2.28 121.76 130.54 3bvx s ALA 953 Ca 0.04 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 3bvx s ALA 953 Cb -0.25 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 3bvx s ALA 953 CO 0.06 -0.29 0.82 -2.13 0.00 0.00 0.00 175.76 174.22 3bvx n ARG 954 N -2.09 0.75 0.25 0.00 0.63 -1.26 -4.71 116.66 110.23 3bvx n ARG 954 Ca 0.01 0.29 0.13 0.00 -0.92 0.00 0.00 57.85 57.36 3bvx n ARG 954 Cb 0.55 -2.02 0.64 0.00 0.45 0.00 0.00 32.46 32.07 3bvx n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3bvx h GLU 955 N 0.36 0.00 -0.01 -0.14 4.11 -1.98 -1.09 114.58 115.84 3bvx h GLU 955 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3bvx h GLU 955 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3bvx h GLU 955 CO 0.49 0.13 -0.08 -0.40 0.07 0.00 0.00 179.01 179.23 3bvx n ASP 956 N -3.39 0.72 -4.84 3.06 5.75 -1.26 -4.84 116.55 111.74 3bvx n ASP 956 Ca -0.01 -0.92 -0.36 0.00 -0.01 0.00 0.00 54.79 53.49 3bvx n ASP 956 Cb 0.32 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.33 3bvx n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3bvx s LEU 957 N -2.27 4.23 0.04 -2.12 2.96 -0.41 -1.09 118.68 120.02 3bvx s LEU 957 Ca 0.34 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 3bvx s LEU 957 Cb 0.21 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3bvx s LEU 957 CO 0.43 0.40 -0.12 -0.62 -1.32 0.00 0.00 176.35 175.11 3bvx s ASP 958 N -1.05 1.40 -0.94 3.68 3.68 0.03 -4.78 116.67 118.69 3bvx s ASP 958 Ca 0.15 -0.49 -0.16 0.00 2.13 0.00 0.00 52.55 54.19 3bvx s ASP 958 Cb -0.12 -0.06 0.18 0.00 -1.45 0.00 0.00 42.92 41.47 3bvx s ASP 958 CO 0.04 -0.05 1.04 -0.69 0.13 0.00 0.00 175.17 175.65 3bvx s VAL 959 N -1.02 5.19 0.30 1.11 1.01 -1.26 -1.12 120.40 124.60 3bvx s VAL 959 Ca -0.02 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.78 3bvx s VAL 959 Cb -0.08 -4.67 0.17 0.00 0.00 0.00 0.00 36.38 31.79 3bvx s VAL 959 CO 0.01 -1.33 1.85 0.28 0.00 0.00 0.00 175.10 175.92 3bvx h SER 960 N 8.07 0.72 -3.69 3.32 0.02 -1.26 -3.42 113.55 117.31 3bvx h SER 960 Ca 0.16 -0.12 -0.32 0.00 -0.84 0.00 0.00 61.79 60.68 3bvx h SER 960 Cb 1.00 -0.19 -0.31 0.00 0.14 0.00 0.00 62.40 63.04 3bvx h SER 960 CO 0.99 0.70 -0.75 -0.69 -1.14 0.00 0.00 176.83 175.95 3bvx s VAL 961 N -5.23 0.24 -0.10 2.27 1.01 -1.14 -4.95 120.40 112.50 3bvx s VAL 961 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3bvx s VAL 961 Cb 0.16 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.30 3bvx s VAL 961 CO 0.79 0.11 -0.08 -0.32 0.00 0.00 0.00 175.10 175.60 3bvx s MET 962 N 0.38 1.49 -0.08 2.72 0.00 -1.26 -1.00 119.30 121.56 3bvx s MET 962 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 55.69 55.37 3bvx s MET 962 Cb -0.07 -1.52 0.05 0.00 0.00 0.00 0.00 34.83 33.29 3bvx s MET 962 CO -0.01 -0.23 0.16 0.50 0.00 0.00 0.00 175.02 175.44 3bvx s ARG 963 N 1.58 0.04 0.11 4.11 3.52 0.03 -3.29 118.95 125.04 3bvx s ARG 963 Ca 0.02 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.86 3bvx s ARG 963 Cb -0.13 -0.27 -0.07 0.00 -1.56 0.00 0.00 34.95 32.93 3bvx s ARG 963 CO -0.06 -0.29 1.23 0.50 -0.81 0.00 0.00 175.30 175.86 3bvx s ARG 964 N 2.19 4.43 0.00 5.12 3.52 -1.26 -0.17 118.95 132.78 3bvx s ARG 964 Ca 0.02 1.86 0.20 0.00 -0.13 0.00 0.00 55.73 57.67 3bvx s ARG 964 Cb -0.12 -3.29 -0.14 0.00 -1.56 0.00 0.00 34.95 29.84 3bvx s ARG 964 CO -0.06 -0.23 0.88 1.28 -0.81 0.00 0.00 175.30 176.37 3bvx n LEU 965 N 3.45 1.25 -4.33 -0.88 4.77 0.37 -4.91 117.00 116.72 3bvx n LEU 965 Ca 0.08 -0.59 -0.28 0.00 -0.03 0.00 0.00 56.01 55.19 3bvx n LEU 965 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 3bvx n LEU 965 CO 0.56 0.27 -0.55 0.42 -1.33 0.00 0.00 177.39 176.76 3bvx s THR 966 N -2.63 2.03 0.87 -5.08 -4.23 -1.24 -4.94 115.64 100.42 3bvx s THR 966 Ca 0.11 -1.51 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 3bvx s THR 966 Cb 0.15 -1.78 0.13 0.00 1.34 0.00 0.00 72.50 72.34 3bvx s THR 966 CO 0.70 0.18 1.23 -0.54 -0.54 0.00 0.00 174.62 175.64 3bvx s LYS 967 N -1.62 1.40 0.47 3.99 1.02 -1.26 -4.88 119.74 118.86 3bvx s LYS 967 Ca 0.11 -0.17 0.25 0.00 0.02 0.00 0.00 55.97 56.18 3bvx s LYS 967 Cb -0.10 -1.93 1.08 0.00 -0.52 0.00 0.00 37.83 36.36 3bvx s LYS 967 CO 0.04 -1.92 1.90 0.66 -0.92 0.00 0.00 175.35 175.11 3bvx h SER 968 N -1.26 0.00 0.65 2.83 4.64 -1.97 -2.60 113.55 115.83 3bvx h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bvx h SER 968 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3bvx h SER 968 CO 0.53 0.20 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 3bvx n SER 969 N -3.46 0.00 -4.69 4.97 3.41 -1.26 -4.78 113.62 107.81 3bvx n SER 969 Ca -0.00 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 3bvx n SER 969 Cb 0.37 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3bvx n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bvx s ALA 970 N -2.74 3.58 -0.28 7.33 0.00 -0.98 -4.91 121.76 123.75 3bvx s ALA 970 Ca 0.20 0.92 0.22 0.00 0.00 0.00 0.00 51.96 53.30 3bvx s ALA 970 Cb 0.17 -3.58 0.42 0.00 0.00 0.00 0.00 23.12 20.13 3bvx s ALA 970 CO 0.43 -0.86 1.63 1.57 0.00 0.00 0.00 175.76 178.52 3bvx h LYS 971 N 7.66 0.00 -4.41 0.00 5.09 -1.91 -3.37 116.57 119.63 3bvx h LYS 971 Ca -0.39 0.00 -0.73 0.00 0.09 0.00 0.00 60.65 59.63 3bvx h LYS 971 Cb 1.18 0.00 -0.24 0.00 0.10 0.00 0.00 32.23 33.28 3bvx h LYS 971 CO 0.89 0.13 -0.41 0.99 -2.09 0.00 0.00 179.45 178.97 3bvx s THR 972 N -3.23 4.89 0.40 0.07 2.01 -1.26 -1.25 115.64 117.27 3bvx s THR 972 Ca 0.05 -1.06 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 3bvx s THR 972 Cb 0.06 -3.88 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 3bvx s THR 972 CO 0.67 -0.47 0.98 -1.10 -0.69 0.00 0.00 174.62 174.01 3bvx s GLN 973 N 1.58 4.28 -0.03 4.92 -1.52 -0.46 -4.83 119.66 123.60 3bvx s GLN 973 Ca 0.04 1.28 0.02 0.00 -1.95 0.00 0.00 55.36 54.75 3bvx s GLN 973 Cb -0.22 -2.42 0.01 0.00 -0.22 0.00 0.00 33.01 30.15 3bvx s GLN 973 CO 0.06 -0.00 -0.10 1.03 -0.25 0.00 0.00 175.29 176.03 3bvx s ARG 974 N -2.73 1.11 -0.08 2.91 0.52 -1.26 -0.33 118.95 119.08 3bvx s ARG 974 Ca 0.58 -0.33 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 3bvx s ARG 974 Cb -0.15 -1.01 0.01 0.00 0.52 0.00 0.00 34.95 34.32 3bvx s ARG 974 CO 0.19 0.10 -0.17 0.08 0.02 0.00 0.00 175.30 175.52 3bvx s VAL 975 N 0.30 1.50 -0.00 3.52 1.01 -0.12 -0.48 120.40 126.13 3bvx s VAL 975 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3bvx s VAL 975 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3bvx s VAL 975 CO 0.01 0.44 0.12 -0.83 0.00 0.00 0.00 175.10 174.83 3bvx s GLY 976 N 0.57 2.08 -0.02 4.51 0.00 0.76 -0.79 107.32 114.44 3bvx s GLY 976 Ca -0.16 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.76 3bvx s GLY 976 CO 0.05 -0.72 -0.10 -0.19 0.00 0.00 0.00 173.10 172.14 3bvx s TYR 977 N -1.25 0.98 -0.21 1.90 1.51 0.50 -0.79 117.35 119.99 3bvx s TYR 977 Ca 0.25 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 3bvx s TYR 977 Cb -0.12 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 3bvx s TYR 977 CO 0.16 -0.07 -0.03 0.08 -1.11 0.00 0.00 175.55 174.58 3bvx s VAL 978 N 0.03 3.56 -0.11 0.71 1.01 -0.17 -1.13 120.40 124.30 3bvx s VAL 978 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3bvx s VAL 978 Cb -0.07 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3bvx s VAL 978 CO 0.00 0.43 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 3bvx s LEU 979 N 1.26 3.65 -0.06 3.92 1.43 0.57 -0.67 118.68 128.77 3bvx s LEU 979 Ca 0.03 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3bvx s LEU 979 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.23 3bvx s LEU 979 CO -0.01 0.33 -0.09 -2.28 0.23 0.00 0.00 176.35 174.53 3bvx s HIS 980 N -0.60 1.21 -0.19 0.29 5.65 -0.28 -0.89 115.29 120.48 3bvx s HIS 980 Ca 0.10 -0.43 -0.03 0.00 0.25 0.00 0.00 55.06 54.95 3bvx s HIS 980 Cb -0.12 -0.94 -0.01 0.00 -1.18 0.00 0.00 32.58 30.33 3bvx s HIS 980 CO 0.02 -0.26 -0.05 0.50 -0.65 0.00 0.00 174.74 174.29 3bvx s ARG 981 N 0.84 3.44 0.32 2.88 3.52 -0.60 -0.79 118.95 128.55 3bvx s ARG 981 Ca -0.12 -0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 54.83 3bvx s ARG 981 Cb -0.15 -2.93 0.07 0.00 -1.56 0.00 0.00 34.95 30.38 3bvx s ARG 981 CO 0.02 -0.04 0.43 -2.37 -0.81 0.00 0.00 175.30 172.52 3bvx n THR 982 N 4.34 0.00 -4.24 4.11 5.66 -0.25 -0.10 114.28 123.79 3bvx n THR 982 Ca -0.18 -0.41 -0.27 0.00 -3.05 0.00 0.00 64.05 60.15 3bvx n THR 982 Cb 0.51 -1.64 -0.17 0.00 -1.55 0.00 0.00 70.33 67.49 3bvx n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3bvx s ASN 983 N -2.61 2.16 0.07 1.09 2.47 -1.26 -3.65 114.94 113.21 3bvx s ASN 983 Ca 0.25 -0.35 0.05 0.00 0.42 0.00 0.00 52.86 53.23 3bvx s ASN 983 Cb -0.01 -0.92 -0.04 0.00 -1.45 0.00 0.00 41.25 38.83 3bvx s ASN 983 CO 0.18 -0.04 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.73 3bvx s LEU 984 N 1.21 3.33 0.37 3.21 1.43 -1.26 -4.23 118.68 122.73 3bvx s LEU 984 Ca -0.04 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 3bvx s LEU 984 Cb -0.14 -2.04 -0.12 0.00 0.03 0.00 0.00 46.19 43.93 3bvx s LEU 984 CO -0.03 0.20 1.21 0.23 0.23 0.00 0.00 176.35 178.19 3bvx n MET 985 N 0.84 1.88 -3.54 1.70 2.81 0.20 -4.98 117.12 116.03 3bvx n MET 985 Ca -0.12 0.66 -0.41 0.00 -1.81 0.00 0.00 57.70 56.02 3bvx n MET 985 Cb 0.52 -2.25 -0.11 0.00 -0.71 0.00 0.00 33.22 30.68 3bvx n MET 985 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3bvx s GLN 986 N -1.96 3.16 -0.11 0.03 -1.52 -1.26 -4.68 119.66 113.32 3bvx s GLN 986 Ca 0.58 -0.87 0.16 0.00 -1.95 0.00 0.00 55.36 53.28 3bvx s GLN 986 Cb -0.56 -3.82 0.24 0.00 -0.22 0.00 0.00 33.01 28.65 3bvx s GLN 986 CO 0.60 -0.60 1.12 0.00 -0.25 0.00 0.00 175.29 176.17 3bvx n GLY 988 N -1.21 0.81 3.63 0.00 0.00 -1.26 -4.68 105.19 102.47 3bvx n GLY 988 Ca 0.13 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3bvx n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bvx s THR 989 N -2.00 5.04 0.29 2.61 2.01 -1.26 -4.99 115.64 117.34 3bvx s THR 989 Ca 0.00 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.72 3bvx s THR 989 Cb 0.00 -3.88 -0.13 0.00 0.01 0.00 0.00 72.50 68.50 3bvx s THR 989 CO 0.00 0.08 1.36 -2.65 -0.69 0.00 0.00 174.62 172.72 3bvx n PRO 990 N 5.43 2.12 -2.39 4.92 -0.02 -1.26 -4.91 135.00 138.89 3bvx n PRO 990 Ca -0.03 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3bvx n PRO 990 Cb 0.50 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 3bvx n PRO 990 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3bvx s GLU 991 N -1.13 4.52 0.16 -0.52 2.12 -1.26 -5.02 118.70 117.57 3bvx s GLU 991 Ca 0.62 1.87 -0.30 0.00 0.36 0.00 0.00 54.97 57.52 3bvx s GLU 991 Cb -0.60 -3.23 -0.08 0.00 0.26 0.00 0.00 34.13 30.49 3bvx s GLU 991 CO 0.56 -0.03 1.25 -1.21 -0.54 0.00 0.00 175.26 175.28 3bvx s GLU 992 N -0.53 4.43 -0.15 4.30 0.41 -1.26 -5.01 118.70 120.90 3bvx s GLU 992 Ca 0.51 1.94 -0.42 0.00 -0.41 0.00 0.00 54.97 56.59 3bvx s GLU 992 Cb -0.33 -3.24 -0.20 0.00 -1.78 0.00 0.00 34.13 28.58 3bvx s GLU 992 CO 0.38 -0.20 1.24 0.72 -0.49 0.00 0.00 175.26 176.91 3bvx n HIS 993 N 2.88 1.00 -4.54 1.61 8.25 -1.26 -5.00 115.22 118.17 3bvx n HIS 993 Ca 0.06 1.07 -0.26 0.00 -0.26 0.00 0.00 57.72 58.33 3bvx n HIS 993 Cb 0.44 -2.14 -0.08 0.00 1.12 0.00 0.00 29.99 29.33 3bvx n HIS 993 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3bvx s THR 994 N 0.93 0.73 0.01 1.59 -4.23 -1.26 -5.09 115.64 108.33 3bvx s THR 994 Ca 0.95 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 3bvx s THR 994 Cb -1.33 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 3bvx s THR 994 CO 0.64 0.00 0.27 -1.10 -0.54 0.00 0.00 174.62 173.89 3bvx s GLN 995 N -3.75 3.57 0.40 3.99 -0.21 -0.96 -4.94 119.66 117.76 3bvx s GLN 995 Ca 0.23 -0.09 -0.26 0.00 0.02 0.00 0.00 55.36 55.25 3bvx s GLN 995 Cb 0.03 -3.07 -0.09 0.00 1.00 0.00 0.00 33.01 30.88 3bvx s GLN 995 CO 0.13 0.64 1.29 0.15 -2.12 0.00 0.00 175.29 175.39 3bvx s LYS 996 N -1.81 4.01 -0.27 2.91 -0.14 -1.26 -4.13 119.74 119.04 3bvx s LYS 996 Ca 0.28 2.14 -0.08 0.00 -1.36 0.00 0.00 55.97 56.95 3bvx s LYS 996 Cb -0.13 -2.78 -0.01 0.00 -1.68 0.00 0.00 37.83 33.23 3bvx s LYS 996 CO 0.17 -0.45 0.09 -1.17 -0.76 0.00 0.00 175.35 173.22 3bvx s LEU 997 N -2.37 3.69 -0.44 3.17 2.96 -1.26 -4.86 118.68 119.56 3bvx s LEU 997 Ca 0.56 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3bvx s LEU 997 Cb -0.38 -1.92 0.12 0.00 0.50 0.00 0.00 46.19 44.51 3bvx s LEU 997 CO 0.48 -0.11 0.26 -0.62 -1.32 0.00 0.00 176.35 175.04 3bvx s ASP 998 N 1.58 5.38 0.55 3.68 3.68 -1.26 -4.54 116.67 125.73 3bvx s ASP 998 Ca 0.05 -2.08 0.28 0.00 2.13 0.00 0.00 52.55 52.93 3bvx s ASP 998 Cb -0.16 -1.88 1.61 0.00 -1.45 0.00 0.00 42.92 41.04 3bvx s ASP 998 CO 0.04 -0.57 2.15 -0.37 0.13 0.00 0.00 175.17 176.55 3bvx h VAL 999 N 6.21 0.57 0.00 1.11 -1.51 -1.95 -1.99 116.25 118.69 3bvx h VAL 999 Ca -0.14 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3bvx h VAL 999 Cb 1.05 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3bvx h VAL 999 CO 0.74 0.07 0.00 0.00 -1.23 0.00 0.00 177.57 177.15 3bvx n HIS 1001N -1.68 1.01 0.15 0.00 8.25 -0.75 -4.53 115.22 117.67 3bvx n HIS 1001Ca 0.04 -0.75 0.02 0.00 -0.26 0.00 0.00 57.72 56.76 3bvx n HIS 1001Cb 0.21 -0.26 0.22 0.00 1.12 0.00 0.00 29.99 31.28 3bvx n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3bvx h LEU 1002N 2.31 0.00 -9.36 2.41 3.38 -1.51 -3.43 115.31 109.11 3bvx h LEU 1002Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3bvx h LEU 1002Cb 1.34 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.95 3bvx h LEU 1002CO 0.20 0.53 -0.69 -0.76 0.09 0.00 0.00 178.44 177.81 3bvx s LEU 1003N -7.25 3.31 0.91 1.67 1.43 -1.26 -5.12 118.68 112.37 3bvx s LEU 1003Ca -0.00 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 3bvx s LEU 1003Cb 0.11 -2.03 0.14 0.00 0.03 0.00 0.00 46.19 44.45 3bvx s LEU 1003CO 0.73 0.20 1.12 -2.16 0.23 0.00 0.00 176.35 176.48 3bvx s PRO 1004N -2.08 1.15 -1.34 1.29 0.04 -1.26 -4.23 135.00 128.56 3bvx s PRO 1004Ca 0.23 0.38 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 3bvx s PRO 1004Cb -0.11 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.61 3bvx s PRO 1004CO 0.15 -2.21 1.12 0.09 0.04 0.00 0.00 177.00 176.19 3bvx n ASN 1005N -3.79 -5.24 -4.75 6.66 5.03 -1.26 -4.79 115.26 107.12 3bvx n ASN 1005Ca 0.06 -0.59 -0.41 0.00 0.87 0.00 0.00 54.58 54.52 3bvx n ASN 1005Cb 0.58 -4.92 -0.03 0.00 -1.02 0.00 0.00 39.78 34.40 3bvx n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3bvx s VAL 1006N -3.34 2.96 -0.02 2.41 0.11 -1.26 -2.37 120.40 118.90 3bvx s VAL 1006Ca 0.46 0.87 0.05 0.00 -2.93 0.00 0.00 61.98 60.43 3bvx s VAL 1006Cb -0.21 -3.56 -0.07 0.00 -1.53 0.00 0.00 36.38 31.01 3bvx s VAL 1006CO 0.74 0.17 0.09 0.00 -3.33 0.00 0.00 175.10 172.77 3bvx n ALA 1007N 1.71 2.11 -3.50 1.54 0.00 0.13 -4.90 120.51 117.59 3bvx n ALA 1007Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 3bvx n ALA 1007Cb 0.42 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 3bvx n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bvx s ARG 1008N -2.29 1.02 -0.06 0.00 3.52 -1.11 -4.98 118.95 115.06 3bvx s ARG 1008Ca -0.02 0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 3bvx s ARG 1008Cb 0.03 0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 3bvx s ARG 1008CO 0.20 -0.31 -0.05 0.00 -0.81 0.00 0.00 175.30 174.33 3bvx s GLU 1010N 1.16 1.41 0.14 0.00 2.02 -0.45 -0.76 118.70 122.22 3bvx s GLU 1010Ca -0.07 -0.62 -0.28 0.00 0.02 0.00 0.00 54.97 54.02 3bvx s GLU 1010Cb -0.14 -1.36 -0.07 0.00 0.10 0.00 0.00 34.13 32.66 3bvx s GLU 1010CO -0.01 0.37 0.89 0.50 0.02 0.00 0.00 175.26 177.03 3bvx s ARG 1011N -0.40 4.68 0.29 1.61 3.52 -0.16 -0.62 118.95 127.87 3bvx s ARG 1011Ca 0.06 1.34 0.03 0.00 -0.13 0.00 0.00 55.73 57.04 3bvx s ARG 1011Cb -0.07 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.93 3bvx s ARG 1011CO -0.01 0.36 0.04 0.95 -0.81 0.00 0.00 175.30 175.84 3bvx s THR 1012N -0.49 1.07 0.99 4.11 -4.23 0.17 -0.22 115.64 117.05 3bvx s THR 1012Ca 0.42 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 3bvx s THR 1012Cb -0.23 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.12 3bvx s THR 1012CO 0.28 -0.10 0.87 0.35 -0.54 0.00 0.00 174.62 175.49 3bvx n THR 1013N -0.58 0.00 0.31 3.99 -2.24 -0.63 -3.86 114.28 111.27 3bvx n THR 1013Ca -0.03 -0.15 0.17 0.00 -2.27 0.00 0.00 64.05 61.77 3bvx n THR 1013Cb 0.66 -0.88 0.76 0.00 -2.10 0.00 0.00 70.33 68.77 3bvx n THR 1013CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3bvx h LEU 1014N -2.00 0.00 -0.27 3.22 3.38 -1.69 0.25 115.31 118.20 3bvx h LEU 1014Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3bvx h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3bvx h LEU 1014CO 0.41 0.00 -0.09 0.35 0.09 0.00 0.00 178.44 179.20 3bvx n THR 1015N -2.87 0.00 -0.98 0.22 -2.24 -1.26 -4.93 114.28 102.22 3bvx n THR 1015Ca -0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3bvx n THR 1015Cb 0.22 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3bvx n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3bvx n PHE 1016N -0.86 0.00 0.94 4.78 0.99 0.08 -4.91 117.46 118.47 3bvx n PHE 1016Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.72 3bvx n PHE 1016Cb 0.27 -0.80 0.16 0.00 -1.00 0.00 0.00 39.48 38.11 3bvx n PHE 1016CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3bvx n LEU 1017N 0.00 0.60 -3.86 4.37 4.77 -1.26 -4.83 117.00 116.79 3bvx n LEU 1017Ca 0.00 -0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.73 3bvx n LEU 1017Cb 0.19 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 3bvx n LEU 1017CO 0.00 0.13 -0.39 -1.58 -1.33 0.00 0.00 177.39 174.22 3bvx s GLN 1018N -3.02 0.47 -0.08 3.23 0.74 -1.26 -5.01 119.66 114.72 3bvx s GLN 1018Ca 0.10 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.19 3bvx s GLN 1018Cb 0.17 -0.56 -0.02 0.00 1.10 0.00 0.00 33.01 33.70 3bvx s GLN 1018CO 0.74 -0.08 1.02 -0.80 -0.55 0.00 0.00 175.29 175.62 3bvx s ASN 1019N 0.78 7.26 -0.12 6.67 0.01 -1.26 -1.60 114.94 126.67 3bvx s ASN 1019Ca -0.09 1.58 0.12 0.00 -0.71 0.00 0.00 52.86 53.76 3bvx s ASN 1019Cb -0.12 -2.56 -0.17 0.00 0.41 0.00 0.00 41.25 38.81 3bvx s ASN 1019CO -0.01 -0.42 0.08 0.18 -1.51 0.00 0.00 177.10 175.42 3bvx n LEU 1020N 4.79 0.00 -3.66 0.60 4.77 0.70 -4.96 117.00 119.24 3bvx n LEU 1020Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3bvx n LEU 1020Cb 0.49 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 3bvx n LEU 1020CO 0.52 0.29 0.30 -0.70 -1.33 0.00 0.00 177.39 176.48 3bvx s GLU 1021N -2.40 0.70 -0.28 3.23 2.12 -1.04 -4.97 118.70 116.06 3bvx s GLU 1021Ca -0.06 0.94 -0.18 0.00 0.36 0.00 0.00 54.97 56.02 3bvx s GLU 1021Cb 0.05 0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 3bvx s GLU 1021CO 0.56 -0.11 0.53 -1.58 -0.54 0.00 0.00 175.26 174.12 3bvx s HIS 1022N 0.71 3.24 -0.12 5.30 5.65 -1.26 -0.98 115.29 127.83 3bvx s HIS 1022Ca -0.03 0.54 -0.15 0.00 0.25 0.00 0.00 55.06 55.67 3bvx s HIS 1022Cb -0.05 -2.79 -0.05 0.00 -1.18 0.00 0.00 32.58 28.51 3bvx s HIS 1022CO -0.05 -0.36 0.35 -0.51 -0.65 0.00 0.00 174.74 173.53 3bvx s LEU 1023N 2.36 4.30 0.08 8.88 1.43 0.06 -4.99 118.68 130.81 3bvx s LEU 1023Ca 0.21 0.66 -0.36 0.00 -1.03 0.00 0.00 54.13 53.62 3bvx s LEU 1023Cb -0.15 -2.48 -0.15 0.00 0.03 0.00 0.00 46.19 43.44 3bvx s LEU 1023CO 0.10 0.13 1.50 0.47 0.23 0.00 0.00 176.35 178.78 3bvx n ASP 1024N 3.21 2.38 0.00 2.29 8.00 -1.26 -2.07 116.55 129.09 3bvx n ASP 1024Ca -0.11 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3bvx n ASP 1024Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 3bvx n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bvx n GLY 1025N 3.11 0.30 2.49 0.44 0.00 -1.26 -2.23 105.19 108.03 3bvx n GLY 1025Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3bvx n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bvx n MET 1026N -1.27 -2.14 -3.98 1.61 2.81 -0.88 -4.98 117.12 108.29 3bvx n MET 1026Ca 0.00 0.90 -0.35 0.00 -1.81 0.00 0.00 57.70 56.44 3bvx n MET 1026Cb 0.20 -5.57 -0.11 0.00 -0.71 0.00 0.00 33.22 27.03 3bvx n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3bvx s VAL 1027N -2.96 4.48 -0.37 2.03 1.01 -0.95 -4.61 120.40 119.04 3bvx s VAL 1027Ca 0.04 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 3bvx s VAL 1027Cb -0.02 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3bvx s VAL 1027CO 0.04 0.42 0.71 0.00 0.00 0.00 0.00 175.10 176.27 3bvx s ALA 1028N 0.82 3.42 0.68 5.51 0.00 -1.26 -4.70 121.76 126.24 3bvx s ALA 1028Ca 0.03 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 3bvx s ALA 1028Cb -0.14 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3bvx s ALA 1028CO 0.02 -1.48 1.18 -2.14 0.00 0.00 0.00 175.76 173.34 3bvx s PRO 1029N 2.93 2.50 0.80 0.00 0.02 -1.26 -4.45 135.00 135.54 3bvx s PRO 1029Ca 0.28 1.67 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 3bvx s PRO 1029Cb -0.14 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.57 3bvx s PRO 1029CO 0.17 -1.54 1.10 -1.21 -0.33 0.00 0.00 177.00 175.18 3bvx s GLU 1030N -3.84 2.03 0.28 5.54 2.02 -1.26 -4.99 118.70 118.48 3bvx s GLU 1030Ca 0.73 0.65 0.07 0.00 0.02 0.00 0.00 54.97 56.44 3bvx s GLU 1030Cb -0.27 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 3bvx s GLU 1030CO 0.42 -1.66 0.28 0.14 0.02 0.00 0.00 175.26 174.46 3bvx s VAL 1031N -3.14 4.32 0.69 2.63 -7.23 -1.26 -5.11 120.40 111.30 3bvx s VAL 1031Ca 0.61 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 59.40 3bvx s VAL 1031Cb -0.15 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.37 3bvx s VAL 1031CO 0.54 -0.28 1.06 0.00 -0.31 0.00 0.00 175.10 176.11 3bvx n PRO 1033N -3.08 2.16 -0.99 0.00 -0.02 -1.26 -1.10 135.00 130.71 3bvx n PRO 1033Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3bvx n PRO 1033Cb 0.54 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3bvx n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3bvx n MET 1034N 1.64 -1.00 -4.03 -0.52 2.81 0.86 -4.93 117.12 111.95 3bvx n MET 1034Ca 0.09 0.25 -0.24 0.00 -1.81 0.00 0.00 57.70 55.99 3bvx n MET 1034Cb 0.33 -4.03 -0.04 0.00 -0.71 0.00 0.00 33.22 28.77 3bvx n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3bvx s GLU 1035N -1.03 3.15 -0.04 0.03 0.41 -0.26 -4.93 118.70 116.03 3bvx s GLU 1035Ca 0.00 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 53.76 3bvx s GLU 1035Cb 0.00 -2.76 0.01 0.00 -1.78 0.00 0.00 34.13 29.60 3bvx s GLU 1035CO 0.00 0.47 -0.07 0.99 -0.49 0.00 0.00 175.26 176.15 3bvx s THR 1036N -1.87 0.71 0.10 3.63 2.01 -1.26 -1.55 115.64 117.40 3bvx s THR 1036Ca 0.33 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3bvx s THR 1036Cb -0.10 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3bvx s THR 1036CO 0.26 0.25 -0.07 0.00 -0.69 0.00 0.00 174.62 174.37 3bvx s ALA 1037N 0.58 0.98 0.05 7.40 0.00 -0.07 -4.98 121.76 125.71 3bvx s ALA 1037Ca -0.09 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 50.64 3bvx s ALA 1037Cb -0.12 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3bvx s ALA 1037CO 0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 175.76 175.37 3bvx s ALA 1038N -3.36 1.71 0.04 0.00 0.00 -1.25 -0.32 121.76 118.58 3bvx s ALA 1038Ca 0.10 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3bvx s ALA 1038Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3bvx s ALA 1038CO -0.04 0.38 -0.09 0.71 0.00 0.00 0.00 175.76 176.72 3bvx s TYR 1039N -0.82 0.78 -0.10 0.00 1.51 -0.28 -0.66 117.35 117.79 3bvx s TYR 1039Ca 0.07 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3bvx s TYR 1039Cb -0.09 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 3bvx s TYR 1039CO 0.02 -0.04 -0.14 0.08 -1.11 0.00 0.00 175.55 174.36 3bvx s VAL 1040N -1.07 1.38 -0.12 0.71 1.01 0.21 -0.37 120.40 122.15 3bvx s VAL 1040Ca -0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3bvx s VAL 1040Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3bvx s VAL 1040CO 0.01 0.42 0.14 -0.94 0.00 0.00 0.00 175.10 174.72 3bvx s SER 1041N 0.92 6.36 -0.04 3.32 1.04 0.03 -1.34 113.70 123.99 3bvx s SER 1041Ca -0.09 0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.83 3bvx s SER 1041Cb -0.15 -2.05 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3bvx s SER 1041CO 0.00 0.41 -0.10 -0.44 0.98 0.00 0.00 173.24 174.09 3bvx s SER 1042N -1.03 4.37 -0.02 7.02 0.01 0.16 -0.94 113.70 123.27 3bvx s SER 1042Ca 0.15 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.30 3bvx s SER 1042Cb -0.12 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.11 3bvx s SER 1042CO 0.04 0.33 -0.08 -1.00 0.41 0.00 0.00 173.24 172.94 3bvx s HIS 1043N -0.84 0.81 0.08 2.43 3.76 0.55 0.21 115.29 122.29 3bvx s HIS 1043Ca 0.13 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 3bvx s HIS 1043Cb -0.11 -0.57 -0.06 0.00 1.11 0.00 0.00 32.58 32.95 3bvx s HIS 1043CO 0.03 -0.07 1.12 0.45 -0.85 0.00 0.00 174.74 175.42 3bvx s SER 1044N 0.10 7.21 0.00 1.40 0.15 -1.00 -1.35 113.70 120.21 3bvx s SER 1044Ca -0.01 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.58 3bvx s SER 1044Cb -0.07 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3bvx s SER 1044CO 0.00 -0.34 0.08 -1.54 1.20 0.00 0.00 173.24 172.64