#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kt1 n LYS 25 N 0.00 0.81 -0.07 -0.67 4.01 -1.26 -2.86 118.16 118.12 3kt1 n LYS 25 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 3kt1 n LYS 25 Cb 0.00 -1.40 -0.05 0.00 -0.51 0.00 0.00 35.03 33.07 3kt1 n LYS 25 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3kt1 n ILE 26 N -0.90 1.02 -0.12 -0.18 5.41 -1.26 -4.48 119.36 118.84 3kt1 n ILE 26 Ca 0.16 -0.11 0.09 0.00 1.00 0.00 0.00 62.75 63.88 3kt1 n ILE 26 Cb 0.07 -1.80 0.43 0.00 -0.71 0.00 0.00 39.64 37.63 3kt1 n ILE 26 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3kt1 h LYS 27 N -0.59 0.56 0.00 0.38 1.57 -1.95 -1.47 116.57 115.07 3kt1 h LYS 27 Ca -0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3kt1 h LYS 27 Cb 1.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3kt1 h LYS 27 CO -0.19 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 3kt1 n GLY 28 N -1.48 -1.20 0.31 3.86 0.00 -1.14 -2.46 105.19 103.08 3kt1 n GLY 28 Ca 0.10 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3kt1 n GLY 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kt1 n MET 29 N -1.48 1.07 -4.23 1.61 2.81 -0.55 -4.83 117.12 111.51 3kt1 n MET 29 Ca 0.05 -0.62 -0.24 0.00 -1.81 0.00 0.00 57.70 55.09 3kt1 n MET 29 Cb 0.24 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.19 3kt1 n MET 29 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3kt1 s PHE 30 N -2.35 2.82 -0.23 2.03 0.40 -1.03 0.09 117.98 119.70 3kt1 s PHE 30 Ca 0.29 -0.17 -0.40 0.00 -0.60 0.00 0.00 56.93 56.04 3kt1 s PHE 30 Cb 0.20 -1.29 -0.16 0.00 0.51 0.00 0.00 43.02 42.28 3kt1 s PHE 30 CO 0.46 0.57 1.68 -1.71 0.70 0.00 0.00 175.22 176.92 3kt1 n ASN 31 N -0.68 2.22 0.18 1.36 4.05 0.09 -4.66 115.26 117.82 3kt1 n ASN 31 Ca -0.08 1.09 0.18 0.00 0.45 0.00 0.00 54.58 56.22 3kt1 n ASN 31 Cb 0.57 -1.14 0.81 0.00 1.23 0.00 0.00 39.78 41.26 3kt1 n ASN 31 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3kt1 h PRO 32 N 6.73 0.00 -0.83 1.20 0.13 -1.91 -2.51 132.00 134.81 3kt1 h PRO 32 Ca -0.47 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 3kt1 h PRO 32 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 3kt1 h PRO 32 CO 0.93 0.00 0.54 1.57 -0.23 0.00 0.00 178.00 180.82 3kt1 h LYS 33 N 0.00 0.91 0.00 0.86 2.10 -1.98 -2.50 116.57 115.96 3kt1 h LYS 33 Ca 0.11 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3kt1 h LYS 33 Cb 0.67 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3kt1 h LYS 33 CO -0.00 0.60 -0.02 -0.84 -2.00 0.00 0.00 179.45 177.18 3kt1 h ILE 34 N 0.93 0.21 -0.00 0.07 3.07 -1.83 0.45 117.51 120.41 3kt1 h ILE 34 Ca 0.35 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.58 3kt1 h ILE 34 Cb 0.19 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3kt1 h ILE 34 CO -0.12 0.02 -0.15 0.79 -1.05 0.00 0.00 178.15 177.64 3kt1 n TRP 35 N -3.34 0.00 -2.57 0.16 7.02 -0.94 -4.71 117.44 113.07 3kt1 n TRP 35 Ca -0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 3kt1 n TRP 35 Cb 0.14 -0.37 -0.03 0.00 -2.42 0.00 0.00 31.31 28.64 3kt1 n TRP 35 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3kt1 s ASP 36 N -2.88 7.19 0.19 -0.99 2.15 0.15 -4.96 116.67 117.52 3kt1 s ASP 36 Ca 0.17 1.78 -0.12 0.00 0.43 0.00 0.00 52.55 54.80 3kt1 s ASP 36 Cb 0.19 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.34 3kt1 s ASP 36 CO 0.56 -0.43 1.84 0.50 -0.17 0.00 0.00 175.17 177.48 3kt1 h LYS 37 N 7.00 0.83 -0.50 4.34 1.63 -1.88 -1.23 116.57 126.76 3kt1 h LYS 37 Ca -0.38 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 3kt1 h LYS 37 Cb 1.19 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 3kt1 h LYS 37 CO 0.81 0.57 0.27 1.15 -3.45 0.00 0.00 179.45 178.81 3kt1 h THR 38 N 0.85 1.18 -0.53 1.00 2.02 -1.94 -1.06 112.91 114.42 3kt1 h THR 38 Ca 0.23 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3kt1 h THR 38 Cb -0.07 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3kt1 h THR 38 CO -0.05 0.19 0.34 0.15 0.37 0.00 0.00 175.52 176.53 3kt1 h PHE 39 N 0.67 0.68 -0.16 3.16 3.57 -1.80 -1.11 116.94 121.95 3kt1 h PHE 39 Ca 0.18 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3kt1 h PHE 39 Cb 0.06 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3kt1 h PHE 39 CO -0.02 0.44 0.03 1.96 -2.23 0.00 0.00 178.31 178.50 3kt1 h GLN 40 N 0.72 0.09 -0.47 1.11 4.20 -0.74 0.10 115.11 120.12 3kt1 h GLN 40 Ca 0.19 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 3kt1 h GLN 40 Cb -0.06 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3kt1 h GLN 40 CO -0.04 0.06 0.09 -0.44 -0.67 0.00 0.00 178.83 177.83 3kt1 h ASP 41 N 0.10 0.68 -0.57 1.46 3.32 -1.12 -0.23 116.42 120.05 3kt1 h ASP 41 Ca 0.07 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3kt1 h ASP 41 Cb 0.06 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3kt1 h ASP 41 CO -0.09 0.69 0.32 1.23 -1.72 0.00 0.00 179.24 179.67 3kt1 h GLY 42 N 0.92 0.86 1.01 2.75 0.00 -0.57 -1.64 103.07 106.40 3kt1 h GLY 42 Ca 0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3kt1 h GLY 42 CO 0.00 0.37 -0.13 -2.00 0.00 0.00 0.00 176.54 174.78 3kt1 h LEU 43 N 0.77 0.84 -0.88 3.11 5.85 -0.40 -1.95 115.31 122.65 3kt1 h LEU 43 Ca 0.20 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3kt1 h LEU 43 Cb 0.04 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3kt1 h LEU 43 CO -0.03 1.02 0.58 0.50 -0.34 0.00 0.00 178.44 180.17 3kt1 h LYS 44 N 0.65 1.15 -0.23 1.25 3.64 -0.89 -1.47 116.57 120.66 3kt1 h LYS 44 Ca 0.10 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3kt1 h LYS 44 Cb 0.67 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3kt1 h LYS 44 CO 0.05 0.76 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.73 3kt1 h LYS 45 N 1.18 0.43 -0.58 1.90 3.64 -1.19 -1.39 116.57 120.56 3kt1 h LYS 45 Ca 0.33 -0.16 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 3kt1 h LYS 45 Cb -0.12 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.57 3kt1 h LYS 45 CO -0.08 0.65 -0.06 0.93 -2.27 0.00 0.00 179.45 178.63 3kt1 h GLU 46 N 0.17 0.06 -0.47 1.90 5.08 -1.02 -0.65 114.58 119.65 3kt1 h GLU 46 Ca 0.06 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3kt1 h GLU 46 Cb 0.48 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3kt1 h GLU 46 CO 0.02 0.04 0.09 0.82 -1.00 0.00 0.00 179.01 178.98 3kt1 h ILE 47 N 0.07 1.24 -0.86 3.13 2.04 -1.13 -1.31 117.51 120.68 3kt1 h ILE 47 Ca 0.29 -0.88 0.10 0.00 1.00 0.00 0.00 64.86 65.36 3kt1 h ILE 47 Cb 0.46 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 3kt1 h ILE 47 CO -0.53 0.31 0.51 -0.33 0.00 0.00 0.00 178.15 178.11 3kt1 h GLU 48 N 0.64 0.82 -0.09 2.37 5.08 -0.72 -2.85 114.58 119.83 3kt1 h GLU 48 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kt1 h GLU 48 Cb 0.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kt1 h GLU 48 CO 0.01 0.54 0.00 -0.25 -1.00 0.00 0.00 179.01 178.31 3kt1 n ASP 49 N -4.71 1.67 -4.81 1.42 10.43 -0.30 -4.94 116.55 115.31 3kt1 n ASP 49 Ca 0.15 -1.61 -0.29 0.00 2.57 0.00 0.00 54.79 55.60 3kt1 n ASP 49 Cb 0.28 -0.05 0.10 0.00 1.84 0.00 0.00 41.12 43.30 3kt1 n ASP 49 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3kt1 s SER 50 N -1.82 4.22 0.04 -2.24 1.04 -0.53 -5.05 113.70 109.36 3kt1 s SER 50 Ca 0.35 1.15 -0.01 0.00 0.48 0.00 0.00 55.95 57.93 3kt1 s SER 50 Cb 0.20 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 3kt1 s SER 50 CO 0.30 -2.12 -0.02 0.00 0.98 0.00 0.00 173.24 172.38 3kt1 s GLN 51 N -5.23 0.49 0.09 4.02 1.03 -1.26 -4.57 119.66 114.22 3kt1 s GLN 51 Ca 0.62 -0.93 0.25 0.00 0.04 0.00 0.00 55.36 55.34 3kt1 s GLN 51 Cb -0.14 0.17 0.59 0.00 0.03 0.00 0.00 33.01 33.66 3kt1 s GLN 51 CO 0.53 -0.09 1.50 -0.35 -2.54 0.00 0.00 175.29 174.35 3kt1 n PRO 52 N 0.77 0.17 -4.12 9.60 -0.04 -1.26 -4.81 135.00 135.31 3kt1 n PRO 52 Ca -0.18 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 3kt1 n PRO 52 Cb 0.58 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 3kt1 n PRO 52 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3kt1 s TYR 53 N -3.09 0.83 0.02 0.54 1.13 -1.26 -4.89 117.35 110.62 3kt1 s TYR 53 Ca 0.09 -1.15 -0.30 0.00 -1.41 0.00 0.00 57.07 54.29 3kt1 s TYR 53 Cb 0.15 -0.38 -0.07 0.00 -1.10 0.00 0.00 41.96 40.56 3kt1 s TYR 53 CO 0.67 -0.62 1.58 -0.80 -2.51 0.00 0.00 175.55 173.87 3kt1 s ASN 54 N -3.06 6.69 0.13 -0.18 0.01 -1.26 -4.86 114.94 112.41 3kt1 s ASN 54 Ca 0.27 2.31 -0.13 0.00 -0.71 0.00 0.00 52.86 54.60 3kt1 s ASN 54 Cb 0.06 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.18 3kt1 s ASN 54 CO 0.05 -0.85 0.33 -1.66 -1.51 0.00 0.00 177.10 173.46 3kt1 s TRP 55 N 2.95 -0.00 0.14 2.20 1.48 -1.26 -4.31 118.94 120.13 3kt1 s TRP 55 Ca 0.71 -0.36 -0.04 0.00 -1.06 0.00 0.00 56.10 55.34 3kt1 s TRP 55 Cb -0.36 0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.06 3kt1 s TRP 55 CO 0.30 -0.68 0.14 0.20 -4.06 0.00 0.00 176.95 172.85 3kt1 s GLY 56 N -2.85 0.72 -0.02 3.67 0.00 -0.04 -4.41 107.32 104.38 3kt1 s GLY 56 Ca 0.06 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 3kt1 s GLY 56 CO -0.09 -1.13 0.12 -1.08 0.00 0.00 0.00 173.10 170.92 3kt1 s THR 57 N -4.00 0.05 -0.06 0.90 -1.32 -1.26 -1.45 115.64 108.49 3kt1 s THR 57 Ca 0.19 -0.39 0.03 0.00 -1.21 0.00 0.00 61.69 60.31 3kt1 s THR 57 Cb 0.06 -0.31 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 3kt1 s THR 57 CO -0.00 -0.21 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.43 3kt1 s ILE 58 N -0.71 1.21 0.10 5.08 1.01 -0.75 -5.00 121.20 122.13 3kt1 s ILE 58 Ca -0.08 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 3kt1 s ILE 58 Cb -0.05 -1.09 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 3kt1 s ILE 58 CO 0.01 0.37 0.47 -1.00 0.00 0.00 0.00 174.94 174.78 3kt1 s HIS 59 N 0.56 3.61 -1.22 3.97 3.76 -1.26 -1.57 115.29 123.14 3kt1 s HIS 59 Ca -0.13 0.94 -0.07 0.00 -0.15 0.00 0.00 55.06 55.65 3kt1 s HIS 59 Cb -0.15 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 3kt1 s HIS 59 CO 0.04 0.50 0.75 0.39 -0.85 0.00 0.00 174.74 175.56 3kt1 n GLU 60 N 0.97 -3.39 0.01 1.40 1.02 -0.72 -4.92 120.64 115.02 3kt1 n GLU 60 Ca -0.07 0.60 -0.13 0.00 -0.02 0.00 0.00 57.16 57.54 3kt1 n GLU 60 Cb 0.52 -4.96 -0.09 0.00 -0.02 0.00 0.00 31.44 26.89 3kt1 n GLU 60 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kt1 h LEU 61 N -1.75 -0.01 -9.76 -4.62 6.46 -1.59 -3.39 115.31 100.66 3kt1 h LEU 61 Ca -0.63 -0.31 -0.57 0.00 -0.12 0.00 0.00 57.88 56.25 3kt1 h LEU 61 Cb 1.35 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.21 3kt1 h LEU 61 CO 0.52 0.30 -0.57 -0.69 -0.62 0.00 0.00 178.44 177.38 3kt1 s VAL 62 N -4.95 4.46 -0.30 1.05 1.01 -1.26 -0.73 120.40 119.68 3kt1 s VAL 62 Ca -0.15 -1.09 -0.43 0.00 0.00 0.00 0.00 61.98 60.31 3kt1 s VAL 62 Cb 0.03 -3.28 -0.18 0.00 0.00 0.00 0.00 36.38 32.95 3kt1 s VAL 62 CO 0.66 -0.11 1.54 -3.20 0.00 0.00 0.00 175.10 174.00 3kt1 n ASN 63 N -0.34 1.44 -0.22 3.32 5.15 0.11 -4.58 115.26 120.15 3kt1 n ASN 63 Ca -0.08 1.14 -0.03 0.00 -0.60 0.00 0.00 54.58 55.00 3kt1 n ASN 63 Cb 0.55 -1.00 0.07 0.00 -0.53 0.00 0.00 39.78 38.87 3kt1 n ASN 63 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 3kt1 h ASP 64 N 5.36 0.59 -0.76 1.20 1.82 -1.95 -1.79 116.42 120.88 3kt1 h ASP 64 Ca -0.46 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3kt1 h ASP 64 Cb 1.36 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 41.22 3kt1 h ASP 64 CO 0.91 0.40 0.49 0.44 -1.61 0.00 0.00 179.24 179.86 3kt1 h ASP 65 N 0.72 0.88 0.23 2.28 3.32 -1.99 -1.54 116.42 120.32 3kt1 h ASP 65 Ca 0.26 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3kt1 h ASP 65 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3kt1 h ASP 65 CO -0.13 0.66 -0.18 0.25 -1.72 0.00 0.00 179.24 178.12 3kt1 h LEU 66 N 1.03 -0.48 -0.73 1.55 6.46 -1.78 -1.69 115.31 119.67 3kt1 h LEU 66 Ca 0.28 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.98 3kt1 h LEU 66 Cb -0.09 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3kt1 h LEU 66 CO -0.06 -0.28 -0.04 0.25 -0.62 0.00 0.00 178.44 177.69 3kt1 h LEU 67 N -0.43 0.91 -0.93 2.25 5.85 -1.19 -1.12 115.31 120.66 3kt1 h LEU 67 Ca -0.01 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3kt1 h LEU 67 Cb 0.38 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3kt1 h LEU 67 CO -0.01 0.99 0.59 0.03 -0.34 0.00 0.00 178.44 179.70 3kt1 h ARG 68 N 0.85 1.07 -0.09 1.25 3.08 -1.21 -0.13 114.38 119.20 3kt1 h ARG 68 Ca 0.15 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 3kt1 h ARG 68 Cb 0.55 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kt1 h ARG 68 CO 0.03 0.71 -0.64 0.00 -1.07 0.00 0.00 179.97 179.01 3kt1 h ALA 69 N 1.41 0.75 -0.34 0.04 0.00 -0.79 -1.53 119.26 118.80 3kt1 h ALA 69 Ca 0.39 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kt1 h ALA 69 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kt1 h ALA 69 CO -0.15 0.74 0.11 0.28 0.00 0.00 0.00 179.25 180.22 3kt1 h VAL 70 N 0.24 1.21 -0.68 0.00 2.07 -0.77 -0.56 116.25 117.76 3kt1 h VAL 70 Ca -0.01 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3kt1 h VAL 70 Cb 1.17 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3kt1 h VAL 70 CO 0.10 0.23 0.35 -0.09 0.02 0.00 0.00 177.57 178.18 3kt1 h ARG 71 N 0.40 0.96 -0.58 1.57 2.43 -0.90 -0.59 114.38 117.68 3kt1 h ARG 71 Ca 0.11 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3kt1 h ARG 71 Cb 0.25 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3kt1 h ARG 71 CO -0.00 0.74 0.34 0.87 -1.51 0.00 0.00 179.97 180.41 3kt1 h LYS 72 N 0.93 0.79 -0.56 0.20 1.79 -1.17 -2.15 116.57 116.40 3kt1 h LYS 72 Ca 0.23 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 3kt1 h LYS 72 Cb 0.08 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 3kt1 h LYS 72 CO -0.03 0.58 0.31 0.93 -1.08 0.00 0.00 179.45 180.16 3kt1 h GLU 73 N 0.78 0.58 -0.39 3.15 5.08 -0.77 -2.19 114.58 120.82 3kt1 h GLU 73 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3kt1 h GLU 73 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3kt1 h GLU 73 CO -0.04 0.39 0.15 0.82 -1.00 0.00 0.00 179.01 179.33 3kt1 h ILE 74 N 0.60 1.20 -0.40 3.13 2.04 -0.90 0.21 117.51 123.39 3kt1 h ILE 74 Ca 0.24 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3kt1 h ILE 74 Cb 0.11 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3kt1 h ILE 74 CO -0.14 0.22 0.13 -0.33 0.00 0.00 0.00 178.15 178.03 3kt1 h GLU 75 N 0.48 0.57 0.11 2.37 5.08 -1.22 -1.34 114.58 120.63 3kt1 h GLU 75 Ca 0.13 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 3kt1 h GLU 75 Cb 0.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kt1 h GLU 75 CO -0.01 0.50 -1.54 1.15 -1.00 0.00 0.00 179.01 178.11 3kt1 h THR 76 N 0.57 1.13 0.00 1.13 2.02 -1.17 -3.41 112.91 113.18 3kt1 h THR 76 Ca 0.14 -2.79 -0.08 0.00 0.77 0.00 0.00 66.41 64.44 3kt1 h THR 76 Cb 0.17 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 3kt1 h THR 76 CO -0.01 0.81 -1.77 -0.62 0.37 0.00 0.00 175.52 174.29 3kt1 n GLU 77 N -3.42 0.86 -4.56 6.66 -0.58 0.04 -4.96 120.64 114.68 3kt1 n GLU 77 Ca -0.16 -0.10 -0.33 0.00 -0.42 0.00 0.00 57.16 56.15 3kt1 n GLU 77 Cb 1.04 -1.36 -0.13 0.00 -0.57 0.00 0.00 31.44 30.43 3kt1 n GLU 77 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3kt1 s ILE 78 N -2.82 3.59 -0.20 -3.67 1.01 -0.51 -4.42 121.20 114.18 3kt1 s ILE 78 Ca -0.06 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3kt1 s ILE 78 Cb 0.08 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3kt1 s ILE 78 CO 0.61 0.52 0.05 -2.28 0.00 0.00 0.00 174.94 173.83 3kt1 s HIS 79 N 0.20 3.14 -0.15 3.97 5.65 0.95 -4.73 115.29 124.32 3kt1 s HIS 79 Ca -0.04 -0.20 -0.09 0.00 0.25 0.00 0.00 55.06 54.98 3kt1 s HIS 79 Cb -0.14 -2.12 -0.04 0.00 -1.18 0.00 0.00 32.58 29.09 3kt1 s HIS 79 CO 0.04 -0.09 0.16 -0.06 -0.65 0.00 0.00 174.74 174.13 3kt1 s PHE 80 N 0.87 3.53 -0.15 3.88 0.08 -1.26 -4.53 117.98 120.40 3kt1 s PHE 80 Ca 0.03 0.48 -0.01 0.00 0.12 0.00 0.00 56.93 57.55 3kt1 s PHE 80 Cb -0.14 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3kt1 s PHE 80 CO 0.02 0.54 -0.10 0.99 -0.10 0.00 0.00 175.22 176.57 3kt1 s THR 81 N -0.42 3.23 0.27 0.64 2.01 -0.16 -4.83 115.64 116.38 3kt1 s THR 81 Ca 0.13 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 3kt1 s THR 81 Cb -0.12 -2.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.91 3kt1 s THR 81 CO 0.02 0.50 1.24 -1.59 -0.69 0.00 0.00 174.62 174.11 3kt1 s LYS 82 N 0.55 4.45 -0.03 4.92 0.00 -1.26 0.32 119.74 128.69 3kt1 s LYS 82 Ca -0.07 2.04 0.00 0.00 0.00 0.00 0.00 55.97 57.95 3kt1 s LYS 82 Cb -0.15 -3.14 0.03 0.00 0.00 0.00 0.00 37.83 34.56 3kt1 s LYS 82 CO 0.03 -0.09 -0.01 0.21 0.00 0.00 0.00 175.35 175.50 3kt1 s LYS 83 N -1.17 0.41 -0.06 1.78 2.36 0.28 -4.88 119.74 118.46 3kt1 s LYS 83 Ca 0.50 0.04 0.04 0.00 -2.55 0.00 0.00 55.97 54.00 3kt1 s LYS 83 Cb -0.36 -0.57 -0.00 0.00 -1.05 0.00 0.00 37.83 35.85 3kt1 s LYS 83 CO 0.45 -0.13 -0.19 -2.00 1.55 0.00 0.00 175.35 175.03 3kt1 s GLU 84 N 1.03 2.17 0.13 4.03 2.12 -1.26 -1.35 118.70 125.56 3kt1 s GLU 84 Ca -0.10 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.56 3kt1 s GLU 84 Cb -0.14 -1.79 -0.00 0.00 0.26 0.00 0.00 34.13 32.46 3kt1 s GLU 84 CO -0.01 0.22 0.04 0.25 -0.54 0.00 0.00 175.26 175.22 3kt1 n THR 85 N 3.30 0.00 -0.12 -1.70 -2.24 -0.16 -4.99 114.28 108.36 3kt1 n THR 85 Ca -0.19 -0.73 0.01 0.00 -2.27 0.00 0.00 64.05 60.87 3kt1 n THR 85 Cb 0.53 0.25 0.29 0.00 -2.10 0.00 0.00 70.33 69.29 3kt1 n THR 85 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3kt1 h ASP 86 N 0.49 0.71 0.71 3.42 -0.00 -2.00 -3.25 116.42 116.49 3kt1 h ASP 86 Ca -0.10 -0.05 -0.26 0.00 -0.00 0.00 0.00 57.03 56.62 3kt1 h ASP 86 Cb 0.37 -0.18 -0.03 0.00 -0.00 0.00 0.00 39.33 39.49 3kt1 h ASP 86 CO 0.16 0.57 -1.37 0.40 -0.00 0.00 0.00 179.24 179.00 3kt1 h ILE 87 N 0.81 1.28 -3.89 4.15 2.04 -1.96 -3.42 117.51 116.52 3kt1 h ILE 87 Ca 0.21 -3.04 -0.10 0.00 1.00 0.00 0.00 64.86 62.93 3kt1 h ILE 87 Cb 0.02 2.67 -0.11 0.00 -0.74 0.00 0.00 36.82 38.66 3kt1 h ILE 87 CO -0.03 0.76 -0.26 -0.72 0.00 0.00 0.00 178.15 177.90 3kt1 s TYR 88 N -2.65 0.54 -0.08 1.37 1.13 -1.23 -1.43 117.35 115.00 3kt1 s TYR 88 Ca -0.03 -0.87 -0.03 0.00 -1.41 0.00 0.00 57.07 54.74 3kt1 s TYR 88 Cb 0.09 -0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.98 3kt1 s TYR 88 CO 0.83 -0.88 0.06 0.50 -2.51 0.00 0.00 175.55 173.55 3kt1 s ARG 89 N -4.04 0.08 -0.04 -3.49 3.52 -0.56 -0.99 118.95 113.43 3kt1 s ARG 89 Ca 0.25 0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 56.02 3kt1 s ARG 89 Cb 0.02 -0.93 0.01 0.00 -1.56 0.00 0.00 34.95 32.49 3kt1 s ARG 89 CO 0.08 -0.41 0.10 0.08 -0.81 0.00 0.00 175.30 174.34 3kt1 s VAL 90 N 2.12 0.00 -0.55 7.11 1.01 -0.45 -1.63 120.40 128.01 3kt1 s VAL 90 Ca 0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 3kt1 s VAL 90 Cb -0.13 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.12 3kt1 s VAL 90 CO -0.05 -0.02 1.14 0.20 0.00 0.00 0.00 175.10 176.37 3kt1 s ASN 91 N -0.01 6.48 0.27 3.32 0.01 -0.66 -0.55 114.94 123.79 3kt1 s ASN 91 Ca -0.01 0.13 0.06 0.00 -0.71 0.00 0.00 52.86 52.34 3kt1 s ASN 91 Cb -0.01 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 3kt1 s ASN 91 CO 0.00 -1.39 0.31 -1.10 -1.51 0.00 0.00 177.10 173.41 3kt1 s GLN 92 N 4.69 3.10 0.00 -0.60 -0.21 0.15 -2.07 119.66 124.72 3kt1 s GLN 92 Ca 0.42 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.82 3kt1 s GLN 92 Cb -0.08 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.23 3kt1 s GLN 92 CO 0.26 0.31 0.35 -1.13 -2.12 0.00 0.00 175.29 172.96 3kt1 n SER 93 N -1.36 0.37 -2.12 5.90 3.41 -1.24 -0.99 113.62 117.59 3kt1 n SER 93 Ca -0.06 -1.11 -0.24 0.00 -0.26 0.00 0.00 58.87 57.19 3kt1 n SER 93 Cb 0.58 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.65 3kt1 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kt1 n GLY 94 N -0.06 4.65 3.75 5.00 0.00 -1.26 -4.58 105.19 112.69 3kt1 n GLY 94 Ca 0.00 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 3kt1 n GLY 94 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kt1 s ASP 95 N -1.10 6.49 0.21 1.61 -4.77 -1.26 -4.91 116.67 112.95 3kt1 s ASP 95 Ca 0.52 2.84 -0.15 0.00 -3.30 0.00 0.00 52.55 52.46 3kt1 s ASP 95 Cb 0.42 -2.64 0.22 0.00 -1.09 0.00 0.00 42.92 39.83 3kt1 s ASP 95 CO 0.05 -0.81 1.62 0.25 0.70 0.00 0.00 175.17 176.98 3kt1 h LEU 96 N 4.61 -0.70 0.00 2.11 6.46 -1.98 -0.09 115.31 125.72 3kt1 h LEU 96 Ca -0.47 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3kt1 h LEU 96 Cb 1.22 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 3kt1 h LEU 96 CO 0.76 -0.23 0.00 0.00 -0.62 0.00 0.00 178.44 178.35 3kt1 n ALA 97 N -3.09 2.45 -2.94 1.25 0.00 -1.26 -4.90 120.51 112.01 3kt1 n ALA 97 Ca 0.07 -0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 3kt1 n ALA 97 Cb 0.34 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.41 3kt1 n ALA 97 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kt1 n ASN 98 N -1.00 -5.32 0.24 0.00 5.03 -0.05 -4.91 115.26 109.25 3kt1 n ASN 98 Ca 0.19 -0.26 0.11 0.00 0.87 0.00 0.00 54.58 55.49 3kt1 n ASN 98 Cb 0.09 -4.13 0.57 0.00 -1.02 0.00 0.00 39.78 35.29 3kt1 n ASN 98 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3kt1 h LEU 99 N -1.28 0.00 -2.19 3.41 3.38 -1.89 -2.88 115.31 113.86 3kt1 h LEU 99 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3kt1 h LEU 99 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3kt1 h LEU 99 CO 0.46 0.18 -0.06 0.77 0.09 0.00 0.00 178.44 179.88 3kt1 h SER 100 N 0.00 0.00 0.00 -0.43 4.64 -1.83 -3.46 113.55 112.47 3kt1 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kt1 h SER 100 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3kt1 h SER 100 CO 0.02 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3kt1 n GLY 101 N -0.79 0.49 3.56 -0.77 0.00 -1.09 -0.04 105.19 106.55 3kt1 n GLY 101 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3kt1 n GLY 101 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kt1 s LEU 102 N 0.00 4.35 -0.19 0.99 0.20 -1.26 -4.88 118.68 117.89 3kt1 s LEU 102 Ca 0.00 -0.02 -0.03 0.00 0.69 0.00 0.00 54.13 54.77 3kt1 s LEU 102 Cb 0.00 -2.59 0.06 0.00 -0.43 0.00 0.00 46.19 43.23 3kt1 s LEU 102 CO 0.00 -0.48 0.04 -0.62 -0.29 0.00 0.00 176.35 175.00 3kt1 s ASP 103 N 1.76 2.83 0.45 3.68 3.68 -1.26 -4.69 116.67 123.12 3kt1 s ASP 103 Ca 0.19 -0.79 0.31 0.00 2.13 0.00 0.00 52.55 54.38 3kt1 s ASP 103 Cb -0.15 -0.56 1.45 0.00 -1.45 0.00 0.00 42.92 42.21 3kt1 s ASP 103 CO 0.13 -0.31 1.93 -0.50 0.13 0.00 0.00 175.17 176.55 3kt1 h TRP 104 N 8.26 0.00 0.00 -5.34 4.06 -1.99 -1.54 115.95 119.40 3kt1 h TRP 104 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 3kt1 h TRP 104 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3kt1 h TRP 104 CO 0.27 0.00 -0.47 -0.25 -3.56 0.00 0.00 178.44 174.43 3kt1 n ASP 105 N -2.68 0.59 -3.23 -3.49 8.00 -1.26 -4.67 116.55 109.82 3kt1 n ASP 105 Ca -0.00 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 3kt1 n ASP 105 Cb 0.18 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3kt1 n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kt1 s ASP 106 N -3.83 0.23 -0.47 -2.24 3.68 -0.58 -5.01 116.67 108.46 3kt1 s ASP 106 Ca 0.09 -1.71 -0.01 0.00 2.13 0.00 0.00 52.55 53.04 3kt1 s ASP 106 Cb 0.15 0.91 0.31 0.00 -1.45 0.00 0.00 42.92 42.84 3kt1 s ASP 106 CO 0.68 -0.19 2.03 0.18 0.13 0.00 0.00 175.17 178.00 3kt1 n LEU 107 N 3.80 7.00 -0.29 -1.34 4.77 -1.22 -4.48 117.00 125.24 3kt1 n LEU 107 Ca 0.15 -3.72 0.08 0.00 -0.03 0.00 0.00 56.01 52.50 3kt1 n LEU 107 Cb 0.50 -1.02 0.24 0.00 -2.33 0.00 0.00 43.42 40.80 3kt1 n LEU 107 CO 0.05 1.33 1.07 0.28 -1.33 0.00 0.00 177.39 178.79 3kt1 h SER 108 N 1.69 0.42 0.08 -1.43 0.02 -1.95 -1.23 113.55 111.16 3kt1 h SER 108 Ca 0.43 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3kt1 h SER 108 Cb 0.87 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3kt1 h SER 108 CO 1.11 0.13 -0.12 0.54 -1.14 0.00 0.00 176.83 177.36 3kt1 n ARG 109 N -4.95 1.36 -3.08 3.45 1.74 -1.26 -4.33 116.66 109.59 3kt1 n ARG 109 Ca 0.18 -0.84 -0.23 0.00 -0.77 0.00 0.00 57.85 56.19 3kt1 n ARG 109 Cb 0.49 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 3kt1 n ARG 109 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kt1 n LEU 110 N -0.09 2.63 -0.06 0.55 4.32 -0.47 -4.96 117.00 118.92 3kt1 n LEU 110 Ca 0.16 -5.33 0.01 0.00 -0.02 0.00 0.00 56.01 50.82 3kt1 n LEU 110 Cb 0.37 0.07 0.31 0.00 -1.62 0.00 0.00 43.42 42.55 3kt1 n LEU 110 CO 0.21 2.30 1.06 1.55 -1.22 0.00 0.00 177.39 181.29 3kt1 h PRO 111 N 3.08 0.66 -0.50 3.23 0.13 -1.75 -1.93 132.00 134.92 3kt1 h PRO 111 Ca 0.12 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 3kt1 h PRO 111 Cb 0.74 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3kt1 h PRO 111 CO 0.66 0.54 -0.02 -0.91 -0.23 0.00 0.00 178.00 178.04 3kt1 h ASN 112 N 0.66 0.82 -0.75 1.44 4.21 -1.92 -1.23 115.58 118.81 3kt1 h ASN 112 Ca 0.16 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 3kt1 h ASN 112 Cb 0.12 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.07 3kt1 h ASN 112 CO -0.02 0.90 0.45 0.25 -1.29 0.00 0.00 177.43 177.72 3kt1 h LEU 113 N 0.78 0.90 -0.26 1.61 6.46 -1.75 -0.17 115.31 122.87 3kt1 h LEU 113 Ca 0.15 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 3kt1 h LEU 113 Cb 0.50 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 3kt1 h LEU 113 CO 0.03 0.70 -0.07 0.15 -0.62 0.00 0.00 178.44 178.63 3kt1 h PHE 114 N 1.02 -0.14 -0.52 1.25 3.57 -0.84 -1.02 116.94 120.26 3kt1 h PHE 114 Ca 0.27 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.85 3kt1 h PHE 114 Cb -0.03 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3kt1 h PHE 114 CO -0.01 -0.11 0.22 -0.22 -2.23 0.00 0.00 178.31 175.96 3kt1 h LYS 115 N 0.00 0.42 -0.27 1.11 1.63 -0.84 -1.21 116.57 117.42 3kt1 h LYS 115 Ca 0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3kt1 h LYS 115 Cb 0.19 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3kt1 h LYS 115 CO -0.27 0.28 0.17 1.25 -3.45 0.00 0.00 179.45 177.43 3kt1 h LEU 116 N 0.43 0.31 -0.83 5.20 5.85 -0.40 -0.87 115.31 125.00 3kt1 h LEU 116 Ca 0.25 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3kt1 h LEU 116 Cb 0.22 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3kt1 h LEU 116 CO -0.22 0.25 0.54 -0.09 -0.34 0.00 0.00 178.44 178.58 3kt1 h ARG 117 N 0.35 1.03 -0.36 1.25 2.43 -0.94 -2.05 114.38 116.09 3kt1 h ARG 117 Ca 0.10 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kt1 h ARG 117 Cb -0.02 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 3kt1 h ARG 117 CO -0.02 0.68 0.20 0.37 -1.51 0.00 0.00 179.97 179.69 3kt1 h GLN 118 N 1.06 0.50 -0.25 0.20 4.15 -0.64 -1.87 115.11 118.26 3kt1 h GLN 118 Ca 0.33 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.55 3kt1 h GLN 118 Cb -0.02 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3kt1 h GLN 118 CO -0.10 0.42 -0.41 -0.84 -1.93 0.00 0.00 178.83 175.97 3kt1 h ILE 119 N 0.46 1.30 0.00 2.39 3.07 -0.98 -1.00 117.51 122.75 3kt1 h ILE 119 Ca 0.13 -1.58 -0.08 0.00 1.55 0.00 0.00 64.86 64.87 3kt1 h ILE 119 Cb 0.06 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 3kt1 h ILE 119 CO -0.02 0.50 -0.38 -0.07 -1.05 0.00 0.00 178.15 177.13 3kt1 h LEU 120 N 0.50 0.00 -2.40 0.16 3.38 -1.16 -2.84 115.31 112.95 3kt1 h LEU 120 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kt1 h LEU 120 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3kt1 h LEU 120 CO 0.08 0.38 0.00 -1.22 0.09 0.00 0.00 178.44 177.78 3kt1 n TYR 121 N -3.57 0.43 -1.43 1.13 4.02 -0.72 -4.53 117.16 112.48 3kt1 n TYR 121 Ca -0.00 -0.32 -0.35 0.00 -0.01 0.00 0.00 57.90 57.21 3kt1 n TYR 121 Cb 0.51 -0.01 0.10 0.00 -0.02 0.00 0.00 39.34 39.91 3kt1 n TYR 121 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kt1 s SER 122 N -1.12 4.10 0.17 7.72 1.04 -0.39 -4.58 113.70 120.63 3kt1 s SER 122 Ca 0.28 2.51 -0.15 0.00 0.48 0.00 0.00 55.95 59.07 3kt1 s SER 122 Cb 0.16 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.81 3kt1 s SER 122 CO 0.22 -2.34 1.72 0.50 0.98 0.00 0.00 173.24 174.32 3kt1 h LYS 123 N -0.16 0.20 -0.27 4.02 3.64 -1.90 -0.88 116.57 121.23 3kt1 h LYS 123 Ca -0.49 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 3kt1 h LYS 123 Cb 1.32 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 3kt1 h LYS 123 CO 0.50 0.13 -0.11 1.96 -2.27 0.00 0.00 179.45 179.66 3kt1 h GLN 124 N 0.21 -0.06 -0.47 1.90 7.50 -1.92 0.18 115.11 122.45 3kt1 h GLN 124 Ca 0.21 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.23 3kt1 h GLN 124 Cb 0.27 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 3kt1 h GLN 124 CO -0.28 -0.04 -0.25 -0.92 -1.50 0.00 0.00 178.83 175.84 3kt1 h TYR 125 N -0.06 1.14 -0.72 2.96 5.03 -1.74 -2.76 116.97 120.82 3kt1 h TYR 125 Ca 0.14 -0.29 -0.01 0.00 2.58 0.00 0.00 58.73 61.14 3kt1 h TYR 125 Cb 0.27 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 3kt1 h TYR 125 CO -0.30 1.12 0.39 0.00 -1.32 0.00 0.00 178.16 178.06 3kt1 h ARG 126 N 0.84 1.01 -0.42 1.82 3.08 -0.73 0.75 114.38 120.73 3kt1 h ARG 126 Ca 0.10 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kt1 h ARG 126 Cb 0.83 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3kt1 h ARG 126 CO 0.07 0.75 0.25 -0.44 -1.07 0.00 0.00 179.97 179.54 3kt1 h ASP 127 N 1.00 0.50 -0.03 7.04 3.45 -0.94 0.17 116.42 127.60 3kt1 h ASP 127 Ca 0.25 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3kt1 h ASP 127 Cb 0.04 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 3kt1 h ASP 127 CO -0.04 0.41 -0.00 0.15 -1.57 0.00 0.00 179.24 178.18 3kt1 h PHE 128 N 0.55 -0.00 -0.31 4.55 3.57 -1.22 -2.11 116.94 121.97 3kt1 h PHE 128 Ca 0.15 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3kt1 h PHE 128 Cb -0.00 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3kt1 h PHE 128 CO -0.03 -0.00 -0.42 0.35 -2.23 0.00 0.00 178.31 175.97 3kt1 h PHE 129 N 0.01 0.93 -0.33 0.41 3.57 -0.59 -1.30 116.94 119.64 3kt1 h PHE 129 Ca 0.01 -0.28 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 3kt1 h PHE 129 Cb 0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3kt1 h PHE 129 CO -0.09 1.06 -0.29 0.78 -2.23 0.00 0.00 178.31 177.53 3kt1 h GLY 130 N 0.90 0.76 0.67 2.40 0.00 -0.71 -2.46 103.07 104.63 3kt1 h GLY 130 Ca 0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3kt1 h GLY 130 CO 0.09 0.63 -0.11 -1.82 0.00 0.00 0.00 176.54 175.33 3kt1 h TYR 131 N 0.60 -0.29 -0.26 5.60 3.20 -1.12 -1.62 116.97 123.08 3kt1 h TYR 131 Ca 0.07 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3kt1 h TYR 131 Cb 0.80 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3kt1 h TYR 131 CO 0.04 0.04 0.06 0.28 -1.64 0.00 0.00 178.16 176.94 3kt1 h VAL 132 N -0.65 1.13 -0.02 1.81 2.07 -1.27 -2.38 116.25 116.94 3kt1 h VAL 132 Ca -0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kt1 h VAL 132 Cb 0.46 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kt1 h VAL 132 CO 0.05 0.16 -0.24 0.35 0.02 0.00 0.00 177.57 177.91 3kt1 n THR 133 N -4.39 0.00 -2.79 2.57 -2.24 -0.93 -4.35 114.28 102.15 3kt1 n THR 133 Ca 0.01 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 3kt1 n THR 133 Cb 0.16 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.31 3kt1 n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kt1 n LYS 134 N 0.07 -3.39 0.00 -0.78 5.02 -0.73 -4.81 118.16 113.54 3kt1 n LYS 134 Ca 0.13 0.85 0.12 0.00 -2.02 0.00 0.00 58.31 57.39 3kt1 n LYS 134 Cb 0.44 -5.61 0.15 0.00 -0.02 0.00 0.00 35.03 29.99 3kt1 n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kt1 n ALA 135 N -2.91 3.84 -0.14 7.82 0.00 -0.69 -5.04 120.51 123.39 3kt1 n ALA 135 Ca -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3kt1 n ALA 135 Cb 0.63 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3kt1 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kt1 n GLY 136 N 1.48 0.18 3.84 0.00 0.00 -1.23 -4.92 105.19 104.55 3kt1 n GLY 136 Ca 0.06 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 3kt1 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kt1 s LYS 137 N 0.00 3.95 0.01 1.61 -0.14 -1.26 -4.49 119.74 119.41 3kt1 s LYS 137 Ca 0.00 0.91 0.01 0.00 -1.36 0.00 0.00 55.97 55.53 3kt1 s LYS 137 Cb 0.00 -2.17 -0.01 0.00 -1.68 0.00 0.00 37.83 33.97 3kt1 s LYS 137 CO 0.00 -0.23 -0.05 -0.51 -0.76 0.00 0.00 175.35 173.81 3kt1 s LEU 138 N -3.98 2.08 0.18 3.17 1.43 -1.26 -4.44 118.68 115.86 3kt1 s LEU 138 Ca 0.58 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 3kt1 s LEU 138 Cb -0.10 -0.18 -0.10 0.00 0.03 0.00 0.00 46.19 45.84 3kt1 s LEU 138 CO 0.30 -0.03 1.57 -0.55 0.23 0.00 0.00 176.35 177.87 3kt1 s SER 139 N -0.52 6.56 0.14 2.29 0.15 0.05 -4.75 113.70 117.63 3kt1 s SER 139 Ca -0.02 2.66 0.18 0.00 0.70 0.00 0.00 55.95 59.47 3kt1 s SER 139 Cb -0.04 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 3kt1 s SER 139 CO -0.00 -0.83 1.00 1.23 1.20 0.00 0.00 173.24 175.84 3kt1 h GLY 140 N 6.50 0.00 0.12 9.45 0.00 -1.91 -3.40 103.07 113.83 3kt1 h GLY 140 Ca -0.43 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.62 3kt1 h GLY 140 CO 0.90 0.00 -2.21 -1.14 0.00 0.00 0.00 176.54 174.09 3kt1 n SER 141 N -2.88 0.11 -3.97 0.19 3.41 -1.26 -4.60 113.62 104.61 3kt1 n SER 141 Ca -0.05 0.05 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3kt1 n SER 141 Cb 0.73 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 3kt1 n SER 141 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3kt1 n LYS 142 N -2.68 3.30 -2.51 4.33 4.81 -1.26 -4.96 118.16 119.20 3kt1 n LYS 142 Ca -0.25 -3.25 -0.40 0.00 -0.87 0.00 0.00 58.31 53.54 3kt1 n LYS 142 Cb 1.01 -3.11 -0.04 0.00 0.02 0.00 0.00 35.03 32.90 3kt1 n LYS 142 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3kt1 s THR 143 N 1.82 3.60 -0.35 3.15 -4.23 -1.26 -4.56 115.64 113.81 3kt1 s THR 143 Ca 0.44 1.58 0.05 0.00 -1.18 0.00 0.00 61.69 62.58 3kt1 s THR 143 Cb 0.09 -4.01 0.17 0.00 1.34 0.00 0.00 72.50 70.09 3kt1 s THR 143 CO -0.02 0.36 0.49 -0.62 -0.54 0.00 0.00 174.62 174.30 3kt1 s ASP 144 N -0.81 -0.26 0.04 3.99 -1.08 -1.26 -5.07 116.67 112.21 3kt1 s ASP 144 Ca 0.45 -0.79 0.02 0.00 -0.52 0.00 0.00 52.55 51.71 3kt1 s ASP 144 Cb -0.31 1.34 -0.02 0.00 -1.46 0.00 0.00 42.92 42.47 3kt1 s ASP 144 CO 0.39 -0.26 -0.08 -0.04 0.52 0.00 0.00 175.17 175.70 3kt1 s MET 145 N 2.04 0.53 0.02 4.34 -1.94 -1.26 -0.72 119.30 122.30 3kt1 s MET 145 Ca 0.14 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.38 3kt1 s MET 145 Cb -0.10 -0.31 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 3kt1 s MET 145 CO -0.15 0.06 -0.02 -1.54 -0.01 0.00 0.00 175.02 173.36 3kt1 s SER 146 N -1.51 0.20 -0.17 3.03 1.04 0.12 -4.97 113.70 111.43 3kt1 s SER 146 Ca -0.09 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 3kt1 s SER 146 Cb -0.10 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 3kt1 s SER 146 CO 0.00 -0.27 -0.12 -0.63 0.98 0.00 0.00 173.24 173.20 3kt1 s ILE 147 N -1.29 2.88 0.05 -1.02 1.01 -1.26 -0.60 121.20 120.95 3kt1 s ILE 147 Ca -0.14 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3kt1 s ILE 147 Cb -0.09 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3kt1 s ILE 147 CO -0.01 0.49 -0.07 0.20 0.00 0.00 0.00 174.94 175.56 3kt1 s ASN 148 N 0.97 0.77 -0.00 3.58 -0.87 -0.69 -3.68 114.94 115.01 3kt1 s ASN 148 Ca -0.02 -0.63 0.07 0.00 -1.57 0.00 0.00 52.86 50.71 3kt1 s ASN 148 Cb -0.15 0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.12 3kt1 s ASN 148 CO -0.02 -0.28 -0.21 0.42 -2.57 0.00 0.00 177.10 174.45 3kt1 s THR 149 N -1.83 2.53 -0.25 1.60 -4.23 -0.88 -0.44 115.64 112.15 3kt1 s THR 149 Ca -0.07 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.32 3kt1 s THR 149 Cb -0.07 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 3kt1 s THR 149 CO -0.01 0.49 0.02 -0.31 -0.54 0.00 0.00 174.62 174.26 3kt1 s TYR 150 N -0.75 3.04 0.36 3.99 1.51 -0.25 -1.65 117.35 123.59 3kt1 s TYR 150 Ca 0.12 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 3kt1 s TYR 150 Cb -0.10 -2.17 0.05 0.00 -0.11 0.00 0.00 41.96 39.62 3kt1 s TYR 150 CO 0.01 -0.51 0.38 0.25 -1.11 0.00 0.00 175.55 174.57 3kt1 n THR 151 N 4.84 0.00 -1.67 -0.71 -2.24 -1.26 -1.48 114.28 111.76 3kt1 n THR 151 Ca -0.17 -1.31 -0.52 0.00 -2.27 0.00 0.00 64.05 59.79 3kt1 n THR 151 Cb 0.50 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 3kt1 n THR 151 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kt1 n LYS 152 N -1.55 1.55 0.00 -0.78 4.81 -1.24 -1.09 118.16 119.85 3kt1 n LYS 152 Ca 0.04 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3kt1 n LYS 152 Cb 0.39 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.15 3kt1 n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kt1 n GLY 153 N 3.69 1.59 3.78 3.14 0.00 -0.44 -4.99 105.19 111.95 3kt1 n GLY 153 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3kt1 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt1 s HIS 155 N -1.64 -0.31 -0.05 0.00 -3.43 -0.65 -1.84 115.29 107.37 3kt1 s HIS 155 Ca 0.61 0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 55.03 3kt1 s HIS 155 Cb -0.24 0.55 0.03 0.00 -1.43 0.00 0.00 32.58 31.48 3kt1 s HIS 155 CO 0.30 -0.55 0.01 -1.17 -2.00 0.00 0.00 174.74 171.33 3kt1 s LEU 156 N -2.52 0.77 0.74 5.38 2.96 -1.03 -1.50 118.68 123.49 3kt1 s LEU 156 Ca 0.06 -0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 3kt1 s LEU 156 Cb -0.01 -0.31 0.06 0.00 0.50 0.00 0.00 46.19 46.42 3kt1 s LEU 156 CO -0.08 -0.16 1.09 -0.76 -1.32 0.00 0.00 176.35 175.13 3kt1 s LEU 157 N 1.59 2.73 0.08 -0.68 1.43 -0.52 -0.92 118.68 122.39 3kt1 s LEU 157 Ca -0.01 0.76 -0.36 0.00 -1.03 0.00 0.00 54.13 53.48 3kt1 s LEU 157 Cb -0.13 -3.38 -0.16 0.00 0.03 0.00 0.00 46.19 42.55 3kt1 s LEU 157 CO -0.03 -1.64 1.45 0.41 0.23 0.00 0.00 176.35 176.77 3kt1 n THR 158 N -3.09 0.03 -3.89 5.49 -1.04 -1.26 -4.72 114.28 105.82 3kt1 n THR 158 Ca 0.07 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 62.00 3kt1 n THR 158 Cb 0.60 -1.08 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 3kt1 n THR 158 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 3kt1 s HIS 159 N 0.89 -0.06 -0.16 -1.42 -3.43 -0.66 -4.68 115.29 105.77 3kt1 s HIS 159 Ca 0.84 -0.39 0.02 0.00 -0.80 0.00 0.00 55.06 54.73 3kt1 s HIS 159 Cb -0.87 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 3kt1 s HIS 159 CO 0.45 -1.21 0.35 -0.40 -2.00 0.00 0.00 174.74 171.94 3kt1 n ASP 160 N -0.50 0.70 0.00 7.38 5.68 -1.26 -0.99 116.55 127.57 3kt1 n ASP 160 Ca -0.04 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 3kt1 n ASP 160 Cb 0.60 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 3kt1 n ASP 160 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kt1 n ASP 161 N -0.37 -0.46 -4.56 -1.12 8.00 -1.26 -4.66 116.55 112.13 3kt1 n ASP 161 Ca 0.01 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 3kt1 n ASP 161 Cb 0.04 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 39.76 3kt1 n ASP 161 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kt1 s VAL 162 N -2.38 3.75 0.00 2.53 0.11 -1.26 -4.91 120.40 118.24 3kt1 s VAL 162 Ca 0.00 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 3kt1 s VAL 162 Cb 0.00 -4.72 -0.00 0.00 -1.53 0.00 0.00 36.38 30.13 3kt1 s VAL 162 CO 0.00 -1.63 -0.02 -0.63 -3.33 0.00 0.00 175.10 169.49 3kt1 s ILE 163 N 6.57 0.16 0.00 7.04 -1.09 -1.26 -5.10 121.20 127.52 3kt1 s ILE 163 Ca 0.52 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3kt1 s ILE 163 Cb -0.03 -0.16 0.00 0.00 -1.58 0.00 0.00 42.46 40.69 3kt1 s ILE 163 CO -0.03 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 3kt1 n GLY 164 N 2.89 2.25 1.28 6.18 0.00 -1.26 -2.14 105.19 114.39 3kt1 n GLY 164 Ca -0.13 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.85 3kt1 n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kt1 n SER 165 N 0.37 3.72 -4.69 1.61 3.41 -1.26 -4.68 113.62 112.11 3kt1 n SER 165 Ca 0.00 -2.47 -0.42 0.00 -0.26 0.00 0.00 58.87 55.72 3kt1 n SER 165 Cb 0.00 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 3kt1 n SER 165 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kt1 s ARG 166 N -1.97 4.15 -0.11 4.33 0.52 -0.91 -1.07 118.95 123.89 3kt1 s ARG 166 Ca 0.34 2.55 -0.06 0.00 -0.52 0.00 0.00 55.73 58.05 3kt1 s ARG 166 Cb 0.25 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 3kt1 s ARG 166 CO 0.13 -0.84 -0.15 -2.13 0.02 0.00 0.00 175.30 172.32 3kt1 n ARG 167 N 5.96 0.25 -5.20 3.54 0.63 0.14 -4.80 116.66 117.19 3kt1 n ARG 167 Ca 0.18 0.11 -0.32 0.00 -0.92 0.00 0.00 57.85 56.90 3kt1 n ARG 167 Cb 0.39 -0.92 -0.16 0.00 0.45 0.00 0.00 32.46 32.22 3kt1 n ARG 167 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kt1 s ILE 168 N -2.23 2.23 -0.13 5.15 1.01 -0.75 -0.55 121.20 125.92 3kt1 s ILE 168 Ca -0.16 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.37 3kt1 s ILE 168 Cb 0.06 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3kt1 s ILE 168 CO 0.21 0.57 0.22 -0.55 0.00 0.00 0.00 174.94 175.39 3kt1 s SER 169 N -0.21 6.43 0.04 3.58 0.15 -0.38 -0.62 113.70 122.69 3kt1 s SER 169 Ca -0.02 0.51 0.02 0.00 0.70 0.00 0.00 55.95 57.16 3kt1 s SER 169 Cb -0.13 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 3kt1 s SER 169 CO 0.03 0.27 -0.08 0.72 1.20 0.00 0.00 173.24 175.39 3kt1 s PHE 170 N -0.39 0.69 -0.09 3.44 -0.71 -0.31 -1.84 117.98 118.77 3kt1 s PHE 170 Ca 0.15 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.55 3kt1 s PHE 170 Cb -0.13 -0.41 0.02 0.00 -1.21 0.00 0.00 43.02 41.29 3kt1 s PHE 170 CO 0.04 -0.08 -0.11 0.42 -1.34 0.00 0.00 175.22 174.15 3kt1 s ILE 171 N -1.38 1.16 -0.17 -4.49 -1.09 0.29 -1.44 121.20 114.08 3kt1 s ILE 171 Ca -0.10 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 57.82 3kt1 s ILE 171 Cb -0.10 -1.11 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 3kt1 s ILE 171 CO 0.00 0.38 0.07 -0.22 -1.23 0.00 0.00 174.94 173.94 3kt1 s LEU 172 N 1.16 3.90 -0.16 2.97 2.96 0.29 -1.31 118.68 128.50 3kt1 s LEU 172 Ca -0.05 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3kt1 s LEU 172 Cb -0.14 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3kt1 s LEU 172 CO -0.03 0.22 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.91 3kt1 s TYR 173 N 0.12 3.10 -0.43 5.38 1.51 0.00 -0.78 117.35 126.26 3kt1 s TYR 173 Ca 0.06 -0.16 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 3kt1 s TYR 173 Cb -0.12 -1.99 0.42 0.00 -0.11 0.00 0.00 41.96 40.17 3kt1 s TYR 173 CO 0.00 0.05 1.08 1.28 -1.11 0.00 0.00 175.55 176.85 3kt1 n LEU 174 N 3.46 4.17 -4.60 -1.29 4.32 0.14 -1.42 117.00 121.79 3kt1 n LEU 174 Ca -0.17 -5.00 -0.29 0.00 -0.02 0.00 0.00 56.01 50.53 3kt1 n LEU 174 Cb 0.52 -0.32 0.22 0.00 -1.62 0.00 0.00 43.42 42.23 3kt1 n LEU 174 CO 0.33 2.14 0.60 -2.16 -1.22 0.00 0.00 177.39 177.08 3kt1 s PRO 175 N -3.46 -0.62 -0.41 3.23 0.04 -1.23 -4.05 135.00 128.50 3kt1 s PRO 175 Ca 0.45 0.30 -0.43 0.00 0.04 0.00 0.00 61.00 61.36 3kt1 s PRO 175 Cb 0.40 -1.63 -0.17 0.00 0.04 0.00 0.00 34.50 33.14 3kt1 s PRO 175 CO -0.15 -3.39 1.84 -3.47 0.04 0.00 0.00 177.00 171.87 3kt1 n ASP 176 N -4.60 1.59 0.10 6.66 -0.08 -1.26 -4.50 116.55 114.46 3kt1 n ASP 176 Ca 0.08 0.94 0.10 0.00 -1.51 0.00 0.00 54.79 54.40 3kt1 n ASP 176 Cb 0.58 -1.01 0.43 0.00 2.34 0.00 0.00 41.12 43.46 3kt1 n ASP 176 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3kt1 n PRO 177 N 5.76 0.13 -0.21 -0.67 -0.04 -1.26 -2.91 135.00 135.80 3kt1 n PRO 177 Ca 0.36 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 64.32 3kt1 n PRO 177 Cb 0.04 -1.79 0.16 0.00 -0.04 0.00 0.00 33.50 31.87 3kt1 n PRO 177 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kt1 n ASP 178 N -2.03 2.99 -4.04 3.54 8.00 -1.26 -4.96 116.55 118.79 3kt1 n ASP 178 Ca 0.01 -2.36 -0.10 0.00 0.71 0.00 0.00 54.79 53.05 3kt1 n ASP 178 Cb 0.16 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 3kt1 n ASP 178 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kt1 s ARG 179 N -1.64 0.46 0.12 -1.24 0.52 -1.15 -5.14 118.95 110.89 3kt1 s ARG 179 Ca 0.25 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 3kt1 s ARG 179 Cb 0.17 -0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.54 3kt1 s ARG 179 CO 0.10 -0.02 1.00 0.21 0.02 0.00 0.00 175.30 176.62 3kt1 s LYS 180 N -1.96 4.66 -0.25 3.54 2.20 -1.26 -4.80 119.74 121.88 3kt1 s LYS 180 Ca -0.09 1.53 -0.23 0.00 -0.36 0.00 0.00 55.97 56.81 3kt1 s LYS 180 Cb -0.07 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 3kt1 s LYS 180 CO -0.02 0.16 0.77 -0.46 -0.36 0.00 0.00 175.35 175.44 3kt1 s TRP 181 N -0.01 3.29 0.27 4.03 -0.11 -1.26 -5.05 118.94 120.10 3kt1 s TRP 181 Ca 0.48 1.02 0.03 0.00 1.22 0.00 0.00 56.10 58.85 3kt1 s TRP 181 Cb -0.25 -3.01 -0.03 0.00 -1.50 0.00 0.00 33.47 28.67 3kt1 s TRP 181 CO 0.31 -0.40 0.43 0.15 -4.62 0.00 0.00 176.95 172.82 3kt1 s LYS 182 N 2.77 3.47 0.16 5.86 1.02 -1.26 -4.85 119.74 126.90 3kt1 s LYS 182 Ca 0.32 -0.55 -0.18 0.00 0.02 0.00 0.00 55.97 55.59 3kt1 s LYS 182 Cb -0.15 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.42 3kt1 s LYS 182 CO 0.08 0.33 1.68 0.77 -0.92 0.00 0.00 175.35 177.29 3kt1 h SER 183 N 1.17 -0.33 0.44 2.83 0.02 -1.97 -2.13 113.55 113.58 3kt1 h SER 183 Ca -0.51 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3kt1 h SER 183 Cb 1.22 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3kt1 h SER 183 CO 0.62 -0.12 0.00 0.00 -1.14 0.00 0.00 176.83 176.20 3kt1 n HIS 184 N -5.28 0.53 0.25 3.45 1.44 -1.26 -1.18 115.22 113.16 3kt1 n HIS 184 Ca 0.01 0.23 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 3kt1 n HIS 184 Cb 0.20 -0.87 0.62 0.00 0.12 0.00 0.00 29.99 30.06 3kt1 n HIS 184 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 3kt1 h TYR 185 N 0.00 0.00 -0.05 -1.40 0.05 -1.77 -3.42 116.97 110.38 3kt1 h TYR 185 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kt1 h TYR 185 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3kt1 h TYR 185 CO 0.00 0.17 0.00 0.41 -1.05 0.00 0.00 178.16 177.69 3kt1 n GLY 186 N -0.33 -0.97 2.58 3.88 0.00 -0.33 -0.31 105.19 109.71 3kt1 n GLY 186 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3kt1 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt1 n GLY 187 N 0.00 0.31 3.73 -0.02 0.00 -0.44 -4.83 105.19 103.94 3kt1 n GLY 187 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kt1 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt1 n GLY 188 N -1.30 0.56 3.69 -0.02 0.00 -1.25 -4.56 105.19 102.31 3kt1 n GLY 188 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3kt1 n GLY 188 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kt1 s LEU 189 N -4.23 4.23 -0.02 0.99 1.98 -0.68 -0.23 118.68 120.73 3kt1 s LEU 189 Ca 0.82 1.01 0.07 0.00 -2.89 0.00 0.00 54.13 53.14 3kt1 s LEU 189 Cb -0.38 -2.98 -0.02 0.00 0.66 0.00 0.00 46.19 43.46 3kt1 s LEU 189 CO 0.41 -0.20 -0.23 -0.13 -1.89 0.00 0.00 176.35 174.31 3kt1 s ARG 190 N 1.37 1.88 0.03 1.98 0.52 -0.23 -0.24 118.95 124.26 3kt1 s ARG 190 Ca 0.33 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 54.80 3kt1 s ARG 190 Cb -0.17 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 3kt1 s ARG 190 CO 0.13 0.49 -0.26 -0.51 0.02 0.00 0.00 175.30 175.18 3kt1 s LEU 191 N -0.53 2.13 -0.14 2.53 1.43 -0.29 -0.82 118.68 122.99 3kt1 s LEU 191 Ca 0.09 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3kt1 s LEU 191 Cb -0.09 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3kt1 s LEU 191 CO -0.01 0.27 -0.11 -0.36 0.23 0.00 0.00 176.35 176.37 3kt1 s PHE 192 N -0.74 2.86 1.02 0.29 0.08 0.06 -0.50 117.98 121.05 3kt1 s PHE 192 Ca 0.11 -0.58 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 3kt1 s PHE 192 Cb -0.10 -1.88 0.20 0.00 -0.57 0.00 0.00 43.02 40.67 3kt1 s PHE 192 CO 0.01 -0.19 1.10 -1.25 -0.10 0.00 0.00 175.22 174.79 3kt1 s PRO 193 N 0.40 0.22 -0.06 0.24 0.04 -1.26 -4.52 135.00 130.06 3kt1 s PRO 193 Ca -0.09 0.40 0.06 0.00 0.04 0.00 0.00 61.00 61.41 3kt1 s PRO 193 Cb -0.15 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 3kt1 s PRO 193 CO 0.05 -2.84 -0.25 -1.12 0.04 0.00 0.00 177.00 172.88 3kt1 s SER 194 N -3.57 3.01 0.11 6.66 0.01 -1.26 -1.12 113.70 117.53 3kt1 s SER 194 Ca 0.66 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 57.29 3kt1 s SER 194 Cb -0.17 -0.81 -0.11 0.00 0.21 0.00 0.00 66.02 65.13 3kt1 s SER 194 CO 0.57 0.24 1.37 0.40 0.41 0.00 0.00 173.24 176.24 3kt1 h ILE 195 N 5.06 1.29 -2.95 1.44 2.04 -0.64 -3.45 117.51 120.30 3kt1 h ILE 195 Ca -0.32 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 63.87 3kt1 h ILE 195 Cb 1.17 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3kt1 h ILE 195 CO 0.47 0.55 0.26 -1.48 0.00 0.00 0.00 178.15 177.96 3kt1 s LEU 196 N -8.70 -0.17 0.18 1.44 -0.00 -1.14 -4.39 118.68 105.89 3kt1 s LEU 196 Ca -0.11 -0.76 -0.32 0.00 -0.00 0.00 0.00 54.13 52.94 3kt1 s LEU 196 Cb 0.09 2.72 -0.16 0.00 -0.00 0.00 0.00 46.19 48.84 3kt1 s LEU 196 CO 0.88 -1.42 1.00 -2.65 -0.00 0.00 0.00 176.35 174.16 3kt1 n PRO 197 N -0.49 0.86 -0.94 1.48 -0.02 -1.26 -0.11 135.00 134.52 3kt1 n PRO 197 Ca -0.05 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3kt1 n PRO 197 Cb 0.59 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3kt1 n PRO 197 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kt1 n ASN 198 N 1.80 -5.43 -3.88 2.55 5.03 0.34 -4.92 115.26 110.76 3kt1 n ASN 198 Ca 0.15 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.30 3kt1 n ASN 198 Cb 0.24 -3.36 -0.14 0.00 -1.02 0.00 0.00 39.78 35.51 3kt1 n ASN 198 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kt1 s VAL 199 N -0.98 2.27 0.57 2.41 1.01 0.84 -5.07 120.40 121.45 3kt1 s VAL 199 Ca 0.00 -3.15 -0.19 0.00 0.00 0.00 0.00 61.98 58.65 3kt1 s VAL 199 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3kt1 s VAL 199 CO 0.00 -0.83 1.15 -2.16 0.00 0.00 0.00 175.10 173.26 3kt1 s PRO 200 N -0.16 3.18 0.49 2.72 0.04 -1.26 0.04 135.00 140.05 3kt1 s PRO 200 Ca 0.17 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 3kt1 s PRO 200 Cb -0.25 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 3kt1 s PRO 200 CO -0.01 -1.00 1.06 -1.58 0.04 0.00 0.00 177.00 175.52 3kt1 s HIS 201 N -1.78 2.94 0.36 0.56 2.46 -0.28 -4.40 115.29 115.15 3kt1 s HIS 201 Ca 0.73 1.57 0.04 0.00 0.47 0.00 0.00 55.06 57.88 3kt1 s HIS 201 Cb -0.25 -3.13 0.69 0.00 -0.13 0.00 0.00 32.58 29.76 3kt1 s HIS 201 CO 0.30 -1.00 2.00 1.03 -2.47 0.00 0.00 174.74 174.60 3kt1 h SER 202 N 1.56 0.68 -3.48 9.88 0.87 -1.92 -3.43 113.55 117.72 3kt1 h SER 202 Ca -0.50 -0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.38 3kt1 h SER 202 Cb 1.23 -0.16 -0.19 0.00 -0.44 0.00 0.00 62.40 62.84 3kt1 h SER 202 CO 0.59 0.48 -0.67 -1.81 -0.53 0.00 0.00 176.83 174.88 3kt1 s ASP 203 N -6.40 4.80 0.65 6.23 1.01 -1.26 -4.85 116.67 116.85 3kt1 s ASP 203 Ca -0.10 -0.03 -0.15 0.00 0.71 0.00 0.00 52.55 52.99 3kt1 s ASP 203 Cb 0.18 -1.42 -0.01 0.00 1.01 0.00 0.00 42.92 42.68 3kt1 s ASP 203 CO 0.76 0.30 1.09 -2.16 0.21 0.00 0.00 175.17 175.38 3kt1 s PRO 204 N -0.45 2.93 0.00 8.23 0.04 -1.26 -4.55 135.00 139.93 3kt1 s PRO 204 Ca 0.07 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.48 3kt1 s PRO 204 Cb -0.12 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 3kt1 s PRO 204 CO 0.02 -1.13 0.47 -1.13 0.04 0.00 0.00 177.00 175.27 3kt1 n SER 205 N -2.40 0.87 -3.91 6.66 3.41 0.34 -4.96 113.62 113.63 3kt1 n SER 205 Ca 0.10 -0.93 -0.11 0.00 -0.26 0.00 0.00 58.87 57.67 3kt1 n SER 205 Cb 0.52 0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 64.91 3kt1 n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kt1 s ALA 206 N -1.14 -0.04 -0.03 7.33 0.00 -1.17 -4.94 121.76 121.76 3kt1 s ALA 206 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3kt1 s ALA 206 Cb 0.05 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3kt1 s ALA 206 CO 0.18 -0.12 0.00 0.21 0.00 0.00 0.00 175.76 176.04 3kt1 s LYS 207 N -0.90 0.33 -0.24 0.00 2.20 -1.26 -1.14 119.74 118.72 3kt1 s LYS 207 Ca -0.10 0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.49 3kt1 s LYS 207 Cb -0.06 -0.54 -0.05 0.00 -1.51 0.00 0.00 37.83 35.67 3kt1 s LYS 207 CO -0.00 -0.16 0.19 -1.17 -0.36 0.00 0.00 175.35 173.85 3kt1 s LEU 208 N 1.17 4.10 -0.50 5.43 0.20 0.66 -4.94 118.68 124.80 3kt1 s LEU 208 Ca -0.08 0.12 -0.18 0.00 0.69 0.00 0.00 54.13 54.69 3kt1 s LEU 208 Cb -0.13 -2.14 0.07 0.00 -0.43 0.00 0.00 46.19 43.55 3kt1 s LEU 208 CO -0.02 0.03 0.55 -0.69 -0.29 0.00 0.00 176.35 175.93 3kt1 s VAL 209 N 1.22 5.00 -0.04 1.68 1.01 -1.26 -1.69 120.40 126.32 3kt1 s VAL 209 Ca 0.08 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3kt1 s VAL 209 Cb -0.14 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3kt1 s VAL 209 CO 0.06 -0.74 0.24 -2.16 0.00 0.00 0.00 175.10 172.50 3kt1 s PRO 210 N 2.28 3.58 0.47 2.72 0.04 -1.26 -5.07 135.00 137.76 3kt1 s PRO 210 Ca 0.11 -0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.21 3kt1 s PRO 210 Cb -0.21 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.21 3kt1 s PRO 210 CO 0.10 0.71 0.57 -0.65 0.04 0.00 0.00 177.00 177.76 3kt1 s GLN 211 N -1.38 2.57 0.23 4.56 -1.52 -1.26 -4.78 119.66 118.08 3kt1 s GLN 211 Ca 0.22 -1.49 -0.31 0.00 -1.95 0.00 0.00 55.36 51.84 3kt1 s GLN 211 Cb -0.13 -2.58 -0.14 0.00 -0.22 0.00 0.00 33.01 29.93 3kt1 s GLN 211 CO 0.11 -0.44 1.19 0.34 -0.25 0.00 0.00 175.29 176.25 3kt1 n PHE 212 N -1.87 1.57 -1.46 0.91 7.35 -1.26 -2.05 117.46 120.65 3kt1 n PHE 212 Ca 0.08 0.61 -0.14 0.00 -0.76 0.00 0.00 57.45 57.24 3kt1 n PHE 212 Cb 0.61 -2.33 -0.06 0.00 0.35 0.00 0.00 39.48 38.05 3kt1 n PHE 212 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3kt1 n ASN 213 N 1.77 -4.67 -4.84 -2.13 4.05 -0.51 -4.63 115.26 104.31 3kt1 n ASN 213 Ca 0.12 0.32 -0.37 0.00 0.45 0.00 0.00 54.58 55.11 3kt1 n ASN 213 Cb 0.29 -3.43 -0.07 0.00 1.23 0.00 0.00 39.78 37.81 3kt1 n ASN 213 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 3kt1 s GLN 214 N -3.28 3.46 -0.07 1.20 0.74 -0.87 -1.76 119.66 119.07 3kt1 s GLN 214 Ca 0.00 -0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.26 3kt1 s GLN 214 Cb 0.00 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 3kt1 s GLN 214 CO 0.00 0.72 -0.14 -1.50 -0.55 0.00 0.00 175.29 173.82 3kt1 s ILE 215 N -0.87 3.05 0.14 -2.34 2.07 -0.61 -0.82 121.20 121.83 3kt1 s ILE 215 Ca 0.14 -0.71 0.10 0.00 -1.41 0.00 0.00 60.65 58.77 3kt1 s ILE 215 Cb -0.12 -2.22 -0.04 0.00 0.13 0.00 0.00 42.46 40.21 3kt1 s ILE 215 CO 0.03 0.57 -0.23 0.00 -1.91 0.00 0.00 174.94 173.41 3kt1 s ALA 216 N -0.43 2.53 0.05 1.50 0.00 -0.42 -1.81 121.76 123.18 3kt1 s ALA 216 Ca 0.05 -1.47 -0.27 0.00 0.00 0.00 0.00 51.96 50.27 3kt1 s ALA 216 Cb -0.12 -0.47 0.09 0.00 0.00 0.00 0.00 23.12 22.62 3kt1 s ALA 216 CO 0.02 0.53 0.76 -0.59 0.00 0.00 0.00 175.76 176.48 3kt1 s PHE 217 N -1.25 -0.44 -0.10 0.00 -0.71 -0.53 -0.55 117.98 114.40 3kt1 s PHE 217 Ca 0.17 0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 56.09 3kt1 s PHE 217 Cb -0.10 0.54 0.08 0.00 -1.21 0.00 0.00 43.02 42.33 3kt1 s PHE 217 CO 0.08 -0.66 0.74 -0.59 -1.34 0.00 0.00 175.22 173.45 3kt1 s PHE 218 N -3.17 -0.63 0.12 3.49 -0.71 -0.77 -0.86 117.98 115.45 3kt1 s PHE 218 Ca 0.02 1.16 -0.31 0.00 -1.04 0.00 0.00 56.93 56.76 3kt1 s PHE 218 Cb -0.01 0.40 -0.10 0.00 -1.21 0.00 0.00 43.02 42.10 3kt1 s PHE 218 CO -0.09 -0.53 1.79 0.21 -1.34 0.00 0.00 175.22 175.26 3kt1 s LYS 219 N -0.94 4.15 -0.01 1.99 2.20 -1.26 -1.25 119.74 124.62 3kt1 s LYS 219 Ca -0.08 2.55 -0.30 0.00 -0.36 0.00 0.00 55.97 57.79 3kt1 s LYS 219 Cb -0.01 -3.54 -0.08 0.00 -1.51 0.00 0.00 37.83 32.69 3kt1 s LYS 219 CO 0.07 -0.81 2.03 0.28 -0.36 0.00 0.00 175.35 176.55 3kt1 n VAL 220 N 4.65 0.70 -3.86 4.02 0.31 0.28 -4.90 118.33 119.53 3kt1 n VAL 220 Ca 0.17 -0.20 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 3kt1 n VAL 220 Cb 0.38 -2.37 -0.13 0.00 -0.91 0.00 0.00 33.84 30.81 3kt1 n VAL 220 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3kt1 s LEU 221 N 5.21 4.95 0.12 7.52 1.43 -1.26 -4.96 118.68 131.68 3kt1 s LEU 221 Ca 0.91 -2.42 -0.35 0.00 -1.03 0.00 0.00 54.13 51.24 3kt1 s LEU 221 Cb -0.41 -1.75 -0.15 0.00 0.03 0.00 0.00 46.19 43.91 3kt1 s LEU 221 CO 0.41 -0.41 1.48 -0.81 0.23 0.00 0.00 176.35 177.25 3kt1 n PRO 222 N 4.00 1.71 -0.08 1.29 -0.04 -1.26 -0.87 135.00 139.75 3kt1 n PRO 222 Ca 0.03 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 3kt1 n PRO 222 Cb 0.39 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3kt1 n PRO 222 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kt1 n GLY 223 N 3.05 1.76 0.00 0.55 0.00 -1.26 -4.80 105.19 104.49 3kt1 n GLY 223 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3kt1 n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kt1 n PHE 224 N -2.00 0.00 -0.79 1.61 3.72 -0.05 -0.50 117.46 119.46 3kt1 n PHE 224 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3kt1 n PHE 224 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 3kt1 n PHE 224 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kt1 n SER 225 N -1.60 4.43 -4.69 4.37 3.41 -0.34 -4.89 113.62 114.32 3kt1 n SER 225 Ca 0.00 -2.26 -0.42 0.00 -0.26 0.00 0.00 58.87 55.92 3kt1 n SER 225 Cb 0.10 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 62.93 3kt1 n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kt1 s PHE 226 N 1.83 3.52 0.15 7.33 0.40 -1.26 -4.26 117.98 125.69 3kt1 s PHE 226 Ca 0.50 1.60 -0.11 0.00 -0.60 0.00 0.00 56.93 58.32 3kt1 s PHE 226 Cb 0.21 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.56 3kt1 s PHE 226 CO -0.01 -0.22 0.31 -3.38 0.70 0.00 0.00 175.22 172.62 3kt1 s HIS 227 N 1.97 0.20 0.24 0.36 -3.43 -0.16 -0.76 115.29 113.70 3kt1 s HIS 227 Ca 0.48 -0.57 -0.05 0.00 -0.80 0.00 0.00 55.06 54.12 3kt1 s HIS 227 Cb -0.18 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 30.99 3kt1 s HIS 227 CO 0.18 -0.70 0.30 0.16 -2.00 0.00 0.00 174.74 172.68 3kt1 s ASP 228 N -2.91 0.19 -0.28 7.38 3.84 0.00 -1.65 116.67 123.25 3kt1 s ASP 228 Ca 0.11 -1.23 -0.06 0.00 -0.00 0.00 0.00 52.55 51.37 3kt1 s ASP 228 Cb 0.03 0.49 0.01 0.00 -1.38 0.00 0.00 42.92 42.07 3kt1 s ASP 228 CO -0.04 -1.01 0.06 -0.69 -0.00 0.00 0.00 175.17 173.48 3kt1 s VAL 229 N -3.97 3.84 0.30 2.11 1.01 -0.10 -1.06 120.40 122.52 3kt1 s VAL 229 Ca 0.32 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3kt1 s VAL 229 Cb 0.03 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.35 3kt1 s VAL 229 CO 0.12 0.14 1.60 -0.70 0.00 0.00 0.00 175.10 176.26 3kt1 s GLU 230 N 1.49 4.11 0.31 2.72 2.12 0.68 -2.45 118.70 127.68 3kt1 s GLU 230 Ca 0.03 2.60 -0.27 0.00 0.36 0.00 0.00 54.97 57.69 3kt1 s GLU 230 Cb -0.17 -3.01 -0.14 0.00 0.26 0.00 0.00 34.13 31.07 3kt1 s GLU 230 CO 0.01 -0.64 0.96 -1.91 -0.54 0.00 0.00 175.26 173.14 3kt1 n GLU 231 N 2.09 1.25 -2.59 4.30 2.13 -1.26 -1.33 120.64 125.24 3kt1 n GLU 231 Ca 0.08 0.44 -0.43 0.00 0.66 0.00 0.00 57.16 57.91 3kt1 n GLU 231 Cb 0.37 -1.82 -0.02 0.00 0.27 0.00 0.00 31.44 30.24 3kt1 n GLU 231 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kt1 s VAL 232 N -1.12 4.49 -2.43 6.31 1.01 -0.77 -1.93 120.40 125.97 3kt1 s VAL 232 Ca 0.60 1.77 0.22 0.00 0.00 0.00 0.00 61.98 64.57 3kt1 s VAL 232 Cb -0.68 -4.27 0.43 0.00 0.00 0.00 0.00 36.38 31.85 3kt1 s VAL 232 CO 0.59 -0.30 1.44 0.29 0.00 0.00 0.00 175.10 177.11 3kt1 n LYS 233 N 6.66 2.31 -3.95 2.72 5.02 0.58 -1.33 118.16 130.16 3kt1 n LYS 233 Ca 0.13 -1.97 -0.08 0.00 -2.02 0.00 0.00 58.31 54.36 3kt1 n LYS 233 Cb 0.46 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 3kt1 n LYS 233 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kt1 s VAL 234 N -1.58 0.17 -1.39 -0.18 0.11 -1.25 -4.97 120.40 111.32 3kt1 s VAL 234 Ca 0.37 -1.44 -0.14 0.00 -2.93 0.00 0.00 61.98 57.84 3kt1 s VAL 234 Cb 0.21 -1.43 0.07 0.00 -1.53 0.00 0.00 36.38 33.70 3kt1 s VAL 234 CO 0.30 -0.77 2.06 -0.67 -3.33 0.00 0.00 175.10 172.69 3kt1 n ASP 235 N -0.00 4.31 -4.09 3.54 2.03 -1.26 -3.73 116.55 117.34 3kt1 n ASP 235 Ca -0.14 -2.91 -0.11 0.00 0.52 0.00 0.00 54.79 52.16 3kt1 n ASP 235 Cb 0.62 -1.64 -0.11 0.00 -0.72 0.00 0.00 41.12 39.27 3kt1 n ASP 235 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kt1 s LYS 236 N 2.79 0.61 -0.20 -0.67 -0.14 -1.26 -5.00 119.74 115.88 3kt1 s LYS 236 Ca 0.47 -1.01 -0.08 0.00 -1.36 0.00 0.00 55.97 53.99 3kt1 s LYS 236 Cb 0.11 -0.12 -0.04 0.00 -1.68 0.00 0.00 37.83 36.10 3kt1 s LYS 236 CO -0.04 -0.02 0.07 -1.01 -0.76 0.00 0.00 175.35 173.60 3kt1 s HIS 237 N -2.57 3.23 -0.29 3.18 3.76 -1.26 -3.97 115.29 117.36 3kt1 s HIS 237 Ca -0.01 0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3kt1 s HIS 237 Cb -0.02 -2.12 0.08 0.00 1.11 0.00 0.00 32.58 31.63 3kt1 s HIS 237 CO -0.03 0.07 -0.01 0.50 -0.85 0.00 0.00 174.74 174.42 3kt1 s ARG 238 N 0.62 1.65 0.15 1.40 3.00 -0.55 -4.65 118.95 120.57 3kt1 s ARG 238 Ca 0.04 -1.48 -0.24 0.00 -1.00 0.00 0.00 55.73 53.05 3kt1 s ARG 238 Cb -0.13 -2.88 -0.08 0.00 0.00 0.00 0.00 34.95 31.87 3kt1 s ARG 238 CO 0.01 -0.77 0.74 -1.17 0.00 0.00 0.00 175.30 174.11 3kt1 s LEU 239 N 1.12 4.59 0.00 -0.88 2.96 -1.26 -1.09 118.68 124.13 3kt1 s LEU 239 Ca 0.02 1.59 -0.10 0.00 -0.22 0.00 0.00 54.13 55.42 3kt1 s LEU 239 Cb -0.19 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.27 3kt1 s LEU 239 CO -0.09 0.22 0.20 -0.94 -1.32 0.00 0.00 176.35 174.42 3kt1 s SER 240 N -1.13 -0.03 -0.27 3.68 1.04 0.42 -0.68 113.70 116.72 3kt1 s SER 240 Ca 0.35 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 3kt1 s SER 240 Cb -0.23 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.16 3kt1 s SER 240 CO 0.25 -0.43 0.02 -0.63 0.98 0.00 0.00 173.24 173.44 3kt1 s ILE 241 N -1.58 3.54 -0.00 -1.02 1.01 0.04 -1.71 121.20 121.48 3kt1 s ILE 241 Ca -0.13 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 3kt1 s ILE 241 Cb -0.06 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3kt1 s ILE 241 CO 0.01 0.15 0.11 -1.58 0.00 0.00 0.00 174.94 173.63 3kt1 s GLN 242 N 1.44 3.17 0.26 2.79 0.74 0.23 -0.55 119.66 127.74 3kt1 s GLN 242 Ca 0.02 -0.44 -0.21 0.00 0.05 0.00 0.00 55.36 54.78 3kt1 s GLN 242 Cb -0.17 -2.93 0.04 0.00 1.10 0.00 0.00 33.01 31.06 3kt1 s GLN 242 CO -0.00 0.65 0.81 0.20 -0.55 0.00 0.00 175.29 176.40 3kt1 s GLY 243 N -1.81 -0.04 0.03 2.59 0.00 -0.52 0.11 107.32 107.68 3kt1 s GLY 243 Ca 0.24 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.70 3kt1 s GLY 243 CO 0.15 0.04 -0.07 -0.98 0.00 0.00 0.00 173.10 172.24 3kt1 s TRP 244 N -3.40 0.61 -0.16 1.90 0.51 0.10 -1.16 118.94 117.33 3kt1 s TRP 244 Ca 0.13 -0.39 -0.08 0.00 -2.12 0.00 0.00 56.10 53.63 3kt1 s TRP 244 Cb -0.05 -0.37 -0.04 0.00 -0.81 0.00 0.00 33.47 32.20 3kt1 s TRP 244 CO 0.06 -0.07 0.11 0.71 -0.51 0.00 0.00 176.95 177.26 3kt1 s TYR 245 N -1.06 3.44 0.28 -1.98 1.51 0.21 -4.20 117.35 115.54 3kt1 s TYR 245 Ca -0.07 0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.43 3kt1 s TYR 245 Cb -0.08 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3kt1 s TYR 245 CO 0.00 0.45 0.12 -1.01 -1.11 0.00 0.00 175.55 174.00 3kt1 s HIS 246 N -0.23 2.88 0.23 2.71 3.76 -1.26 0.24 115.29 123.62 3kt1 s HIS 246 Ca 0.10 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.51 3kt1 s HIS 246 Cb -0.12 -1.38 -0.15 0.00 1.11 0.00 0.00 32.58 32.04 3kt1 s HIS 246 CO 0.01 0.51 1.02 -0.89 -0.85 0.00 0.00 174.74 174.54 3kt1 n ILE 247 N -1.08 1.56 -1.67 0.60 5.41 -0.23 -0.77 119.36 123.19 3kt1 n ILE 247 Ca -0.06 -0.39 -0.43 0.00 1.00 0.00 0.00 62.75 62.87 3kt1 n ILE 247 Cb 0.59 -0.84 -0.01 0.00 -0.71 0.00 0.00 39.64 38.67 3kt1 n ILE 247 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3kt1 n PRO 248 N 1.15 1.91 -2.89 0.38 -0.02 -1.26 -4.33 135.00 129.93 3kt1 n PRO 248 Ca 0.12 0.67 -0.19 0.00 -2.02 0.00 0.00 63.50 62.08 3kt1 n PRO 248 Cb 0.28 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3kt1 n PRO 248 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kt1 s GLN 249 N -1.76 2.55 0.20 -0.52 -1.52 -1.26 -4.69 119.66 112.66 3kt1 s GLN 249 Ca 0.57 -1.21 -0.32 0.00 -1.95 0.00 0.00 55.36 52.44 3kt1 s GLN 249 Cb -0.61 -2.64 -0.15 0.00 -0.22 0.00 0.00 33.01 29.40 3kt1 s GLN 249 CO 0.61 -0.60 1.27 1.55 -0.25 0.00 0.00 175.29 177.87 3kt1 n VAL 250 N -2.13 0.94 -0.37 1.09 3.14 -1.26 -2.10 118.33 117.64 3kt1 n VAL 250 Ca 0.10 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3kt1 n VAL 250 Cb 0.60 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 3kt1 n VAL 250 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kt1 n GLY 251 N 2.06 1.11 3.82 7.55 0.00 -1.26 -5.03 105.19 113.44 3kt1 n GLY 251 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3kt1 n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kt1 s GLU 252 N -0.43 2.97 0.20 1.61 2.02 -0.89 -5.06 118.70 119.11 3kt1 s GLU 252 Ca 0.00 -0.87 -0.33 0.00 0.02 0.00 0.00 54.97 53.79 3kt1 s GLU 252 Cb 0.00 -2.67 -0.14 0.00 0.10 0.00 0.00 34.13 31.42 3kt1 s GLU 252 CO 0.00 0.47 1.48 0.39 0.02 0.00 0.00 175.26 177.62 3kt1 n GLU 253 N -0.54 2.06 -0.85 1.61 1.02 -1.26 -1.88 120.64 120.80 3kt1 n GLU 253 Ca -0.08 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 3kt1 n GLU 253 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 3kt1 n GLU 253 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kt1 n GLY 254 N 2.73 0.84 3.69 0.62 0.00 -1.26 -4.63 105.19 107.19 3kt1 n GLY 254 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kt1 n GLY 254 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kt1 s TYR 255 N -3.31 2.33 -0.19 1.61 6.14 -0.79 -4.80 117.35 118.36 3kt1 s TYR 255 Ca 0.00 0.27 0.01 0.00 0.64 0.00 0.00 57.07 57.99 3kt1 s TYR 255 Cb 0.00 -3.98 0.04 0.00 0.42 0.00 0.00 41.96 38.44 3kt1 s TYR 255 CO 0.00 -3.96 -0.13 0.42 0.64 0.00 0.00 175.55 172.53 3kt1 s ILE 256 N 2.83 1.73 0.31 3.14 1.01 -1.26 -5.03 121.20 123.93 3kt1 s ILE 256 Ca 0.75 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 3kt1 s ILE 256 Cb -0.39 -1.73 -0.11 0.00 0.01 0.00 0.00 42.46 40.23 3kt1 s ILE 256 CO 0.32 0.27 1.60 -2.84 0.00 0.00 0.00 174.94 174.30 3kt1 s PRO 257 N 1.38 4.11 0.00 2.79 0.02 -1.26 -2.18 135.00 139.85 3kt1 s PRO 257 Ca 0.00 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3kt1 s PRO 257 Cb -0.15 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3kt1 s PRO 257 CO -0.09 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 3kt1 n GLY 258 N 1.96 3.19 0.05 0.52 0.00 -1.26 -4.93 105.19 104.72 3kt1 n GLY 258 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3kt1 n GLY 258 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kt1 h GLU 259 N 1.96 0.02 -0.60 1.61 4.81 -1.86 -0.76 114.58 119.76 3kt1 h GLU 259 Ca 0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3kt1 h GLU 259 Cb 0.00 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3kt1 h GLU 259 CO 0.00 0.08 0.36 1.49 -0.73 0.00 0.00 179.01 180.22 3kt1 h GLU 260 N -0.05 0.70 -0.45 1.92 4.81 -1.92 0.11 114.58 119.70 3kt1 h GLU 260 Ca 0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3kt1 h GLU 260 Cb 0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3kt1 h GLU 260 CO -0.00 0.46 -0.23 0.93 -0.73 0.00 0.00 179.01 179.44 3kt1 h GLU 261 N 0.72 0.92 -0.30 1.92 3.07 -1.93 -0.62 114.58 118.35 3kt1 h GLU 261 Ca 0.24 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3kt1 h GLU 261 Cb 0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3kt1 h GLU 261 CO -0.10 1.05 0.20 0.00 -1.40 0.00 0.00 179.01 178.76 3kt1 h ALA 262 N 0.93 0.38 0.11 3.43 0.00 -0.76 -2.15 119.26 121.21 3kt1 h ALA 262 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kt1 h ALA 262 Cb 0.79 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kt1 h ALA 262 CO 0.07 -0.15 -0.16 2.35 0.00 0.00 0.00 179.25 181.35 3kt1 h TRP 263 N 0.41 -0.42 -0.28 0.00 2.91 -0.79 -2.62 115.95 115.15 3kt1 h TRP 263 Ca 0.11 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3kt1 h TRP 263 Cb -0.05 0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 3kt1 h TRP 263 CO -0.06 -0.24 0.14 0.28 -1.03 0.00 0.00 178.44 177.53 3kt1 h VAL 264 N -0.33 1.15 -0.04 2.65 2.07 -0.98 -2.94 116.25 117.83 3kt1 h VAL 264 Ca 0.02 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 3kt1 h VAL 264 Cb 0.33 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3kt1 h VAL 264 CO -0.08 0.15 -0.52 0.08 0.02 0.00 0.00 177.57 177.22 3kt1 h ARG 265 N 0.33 0.12 0.00 1.57 0.11 -1.46 -2.71 114.38 112.34 3kt1 h ARG 265 Ca 0.10 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3kt1 h ARG 265 Cb 0.12 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3kt1 h ARG 265 CO -0.01 0.62 0.00 0.09 0.10 0.00 0.00 179.97 180.77 3kt1 n ASN 266 N -3.92 0.00 -0.66 0.08 3.02 -0.99 -2.63 115.26 110.16 3kt1 n ASN 266 Ca -0.02 -0.95 0.04 0.00 -0.03 0.00 0.00 54.58 53.63 3kt1 n ASN 266 Cb 0.55 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.92 3kt1 n ASN 266 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kt1 n ASN 267 N -0.88 2.24 -3.76 6.41 3.02 -1.02 -5.06 115.26 116.21 3kt1 n ASN 267 Ca 0.14 -3.62 -0.20 0.00 -0.03 0.00 0.00 54.58 50.88 3kt1 n ASN 267 Cb 0.06 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 3kt1 n ASN 267 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kt1 s THR 268 N -3.13 0.14 -4.79 3.41 2.01 -1.08 -5.08 115.64 107.12 3kt1 s THR 268 Ca 0.39 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3kt1 s THR 268 Cb 0.36 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.56 3kt1 s THR 268 CO -0.02 0.19 0.00 -0.46 -0.69 0.00 0.00 174.62 173.64 3kt1 n ASN 277 N 4.79 0.00 0.24 3.53 6.94 -1.26 -5.12 115.26 124.38 3kt1 n ASN 277 Ca -0.14 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.52 3kt1 n ASN 277 Cb 0.50 0.00 0.60 0.00 -2.36 0.00 0.00 39.78 38.52 3kt1 n ASN 277 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3kt1 h VAL 278 N 0.00 0.73 0.00 3.53 2.07 -2.06 -3.27 116.25 117.24 3kt1 h VAL 278 Ca 0.00 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 3kt1 h VAL 278 Cb 0.00 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kt1 h VAL 278 CO 0.00 0.19 -0.43 -0.07 0.02 0.00 0.00 177.57 177.27 3kt1 h LEU 279 N 0.00 0.00 -1.20 2.57 4.07 -2.01 -2.97 115.31 115.77 3kt1 h LEU 279 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kt1 h LEU 279 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 3kt1 h LEU 279 CO 0.02 0.43 0.00 -1.84 -1.08 0.00 0.00 178.44 175.98 3kt1 n GLU 280 N -4.02 0.16 0.27 1.13 0.28 -1.23 -1.02 120.64 116.20 3kt1 n GLU 280 Ca -0.02 0.57 0.11 0.00 -0.16 0.00 0.00 57.16 57.67 3kt1 n GLU 280 Cb 0.46 -1.93 0.73 0.00 1.43 0.00 0.00 31.44 32.13 3kt1 n GLU 280 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3kt1 h ASP 281 N 0.00 0.00 -0.34 -1.84 3.32 -1.77 -3.00 116.42 112.78 3kt1 h ASP 281 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kt1 h ASP 281 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kt1 h ASP 281 CO 0.00 0.08 0.00 0.49 -1.72 0.00 0.00 179.24 178.09 3kt1 n PHE 282 N -3.98 0.44 -3.13 4.55 3.72 -0.18 -4.89 117.46 113.99 3kt1 n PHE 282 Ca -0.03 -0.22 -0.39 0.00 -0.05 0.00 0.00 57.45 56.76 3kt1 n PHE 282 Cb 0.17 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3kt1 n PHE 282 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kt1 s GLU 283 N -1.56 4.38 -0.08 -1.08 2.02 -1.14 -4.17 118.70 117.07 3kt1 s GLU 283 Ca 0.37 0.90 -0.06 0.00 0.02 0.00 0.00 54.97 56.19 3kt1 s GLU 283 Cb 0.21 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 31.16 3kt1 s GLU 283 CO 0.30 0.47 0.20 -0.06 0.02 0.00 0.00 175.26 176.19 3kt1 s PHE 284 N -0.63 -0.23 0.62 1.61 0.40 -0.36 -4.22 117.98 115.18 3kt1 s PHE 284 Ca 0.33 0.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.10 3kt1 s PHE 284 Cb -0.20 0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.35 3kt1 s PHE 284 CO 0.21 -0.13 1.03 -1.25 0.70 0.00 0.00 175.22 175.79 3kt1 s PRO 285 N 0.33 3.51 0.38 0.24 0.04 -1.26 -1.58 135.00 136.66 3kt1 s PRO 285 Ca -0.02 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 3kt1 s PRO 285 Cb -0.03 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3kt1 s PRO 285 CO -0.01 -0.64 1.17 0.15 0.04 0.00 0.00 177.00 177.71 3kt1 s LYS 286 N -5.05 4.14 -1.43 4.56 -0.14 -1.26 -4.92 119.74 115.63 3kt1 s LYS 286 Ca 0.56 1.85 -0.14 0.00 -1.36 0.00 0.00 55.97 56.88 3kt1 s LYS 286 Cb -0.11 -2.75 0.05 0.00 -1.68 0.00 0.00 37.83 33.34 3kt1 s LYS 286 CO 0.52 -0.25 2.17 -3.47 -0.76 0.00 0.00 175.35 173.55 3kt1 n ASP 287 N 0.23 4.04 -4.03 2.83 4.64 -1.26 -4.90 116.55 118.10 3kt1 n ASP 287 Ca 0.03 -2.87 -0.22 0.00 -1.38 0.00 0.00 54.79 50.36 3kt1 n ASP 287 Cb 0.46 -1.65 -0.16 0.00 -1.04 0.00 0.00 41.12 38.73 3kt1 n ASP 287 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3kt1 s GLU 288 N 3.05 1.21 0.02 -0.67 2.02 -1.26 -4.87 118.70 118.20 3kt1 s GLU 288 Ca 0.47 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.16 3kt1 s GLU 288 Cb 0.13 -1.09 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 3kt1 s GLU 288 CO -0.07 0.12 -0.19 1.03 0.02 0.00 0.00 175.26 176.17 3kt1 s ARG 289 N 0.25 2.12 0.02 1.61 0.52 -1.26 -4.65 118.95 117.56 3kt1 s ARG 289 Ca -0.05 -0.94 -0.11 0.00 -0.52 0.00 0.00 55.73 54.11 3kt1 s ARG 289 Cb -0.10 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 3kt1 s ARG 289 CO 0.01 0.55 0.35 -0.80 0.02 0.00 0.00 175.30 175.44 3kt1 s ASN 290 N -1.26 6.65 0.46 0.23 -0.87 -0.47 -4.82 114.94 114.87 3kt1 s ASN 290 Ca 0.14 0.78 -0.22 0.00 -1.57 0.00 0.00 52.86 51.99 3kt1 s ASN 290 Cb -0.10 -2.18 -0.08 0.00 -0.02 0.00 0.00 41.25 38.87 3kt1 s ASN 290 CO 0.04 0.27 1.09 0.27 -2.57 0.00 0.00 177.10 176.19 3kt1 s ILE 291 N -1.23 3.49 0.55 0.60 -4.36 -1.26 -0.88 121.20 118.10 3kt1 s ILE 291 Ca 0.27 1.03 -0.07 0.00 -0.26 0.00 0.00 60.65 61.62 3kt1 s ILE 291 Cb -0.15 -3.48 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 3kt1 s ILE 291 CO 0.14 -0.10 0.88 -0.76 0.24 0.00 0.00 174.94 175.35 3kt1 s LEU 292 N -3.19 3.41 0.85 0.37 1.43 -0.89 -4.89 118.68 115.78 3kt1 s LEU 292 Ca 0.65 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 3kt1 s LEU 292 Cb -0.22 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.16 3kt1 s LEU 292 CO 0.27 -0.79 1.10 -0.94 0.23 0.00 0.00 176.35 176.22 3kt1 s SER 293 N -4.18 3.72 0.22 2.29 1.04 -1.26 -4.89 113.70 110.64 3kt1 s SER 293 Ca 0.51 1.83 -0.09 0.00 0.48 0.00 0.00 55.95 58.68 3kt1 s SER 293 Cb -0.11 -2.45 0.21 0.00 0.10 0.00 0.00 66.02 63.78 3kt1 s SER 293 CO 0.47 -2.53 1.86 -0.26 0.98 0.00 0.00 173.24 173.76 3kt1 h PHE 294 N -1.47 0.92 -0.57 5.02 -1.00 -2.00 -2.75 116.94 115.08 3kt1 h PHE 294 Ca -0.45 0.02 0.11 0.00 2.81 0.00 0.00 57.97 60.46 3kt1 h PHE 294 Cb 1.26 -0.30 -0.09 0.00 3.61 0.00 0.00 35.95 40.43 3kt1 h PHE 294 CO 0.51 0.53 0.08 1.25 -1.61 0.00 0.00 178.31 179.08 3kt1 h HIS 295 N 0.96 0.12 0.35 -0.55 2.76 -2.00 -1.87 115.15 114.92 3kt1 h HIS 295 Ca 0.30 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 3kt1 h HIS 295 Cb -0.01 0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3kt1 h HIS 295 CO -0.03 -0.06 -0.17 0.93 -1.30 0.00 0.00 177.93 177.30 3kt1 h GLU 296 N 0.21 -0.45 -0.65 5.26 5.08 -1.87 -2.91 114.58 119.25 3kt1 h GLU 296 Ca 0.30 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3kt1 h GLU 296 Cb 0.44 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3kt1 h GLU 296 CO -0.41 -0.27 0.29 -0.39 -1.00 0.00 0.00 179.01 177.23 3kt1 h VAL 297 N -0.51 1.23 -0.08 3.13 -1.51 -1.25 -2.44 116.25 114.82 3kt1 h VAL 297 Ca -0.05 -0.67 -0.07 0.00 -1.23 0.00 0.00 66.70 64.68 3kt1 h VAL 297 Cb 0.39 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 3kt1 h VAL 297 CO 0.08 0.27 -0.27 0.07 -1.23 0.00 0.00 177.57 176.49 3kt1 h LYS 298 N 0.90 0.15 -0.58 5.19 2.10 -1.38 0.49 116.57 123.43 3kt1 h LYS 298 Ca 0.22 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.79 3kt1 h LYS 298 Cb 0.15 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 3kt1 h LYS 298 CO -0.02 0.41 0.24 0.45 -2.00 0.00 0.00 179.45 178.53 3kt1 h HIS 299 N 0.13 0.83 -0.03 0.07 3.86 -1.24 0.68 115.15 119.46 3kt1 h HIS 299 Ca 0.02 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3kt1 h HIS 299 Cb 0.56 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.77 3kt1 h HIS 299 CO 0.01 0.64 -0.31 0.74 0.86 0.00 0.00 177.93 179.86 3kt1 h PHE 300 N 0.83 0.36 -0.19 2.45 0.05 -0.97 -3.04 116.94 116.43 3kt1 h PHE 300 Ca 0.20 -0.18 0.04 0.00 3.82 0.00 0.00 57.97 61.85 3kt1 h PHE 300 Cb 0.14 -0.05 -0.04 0.00 2.00 0.00 0.00 35.95 38.00 3kt1 h PHE 300 CO 0.01 0.95 -0.09 0.93 -0.18 0.00 0.00 178.31 179.93 3kt1 h GLU 301 N -0.33 -0.06 -0.64 1.51 5.08 -0.86 -2.42 114.58 116.86 3kt1 h GLU 301 Ca -0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3kt1 h GLU 301 Cb 1.02 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 3kt1 h GLU 301 CO 0.06 -0.04 0.34 -0.22 -1.00 0.00 0.00 179.01 178.15 3kt1 h LYS 302 N -0.06 0.61 -0.09 2.33 3.64 -0.96 -2.08 116.57 119.95 3kt1 h LYS 302 Ca 0.10 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3kt1 h LYS 302 Cb 0.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3kt1 h LYS 302 CO -0.23 0.40 -0.26 1.98 -2.27 0.00 0.00 179.45 179.07 3kt1 h MET 303 N 0.63 0.16 -0.37 1.90 4.05 -1.38 -3.14 114.93 116.78 3kt1 h MET 303 Ca 0.29 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.58 3kt1 h MET 303 Cb 0.21 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.95 3kt1 h MET 303 CO -0.20 0.42 0.03 1.28 0.23 0.00 0.00 176.91 178.67 3kt1 n LEU 304 N -4.18 4.38 -1.11 3.39 4.77 -0.88 -1.74 117.00 121.63 3kt1 n LEU 304 Ca -0.01 -3.22 0.12 0.00 -0.03 0.00 0.00 56.01 52.87 3kt1 n LEU 304 Cb 0.35 -0.60 0.20 0.00 -2.33 0.00 0.00 43.42 41.03 3kt1 n LEU 304 CO 0.39 0.82 0.69 2.29 -1.33 0.00 0.00 177.39 180.26 3kt1 n LYS 305 N -0.56 2.47 0.00 3.23 2.85 -0.84 -4.98 118.16 120.33 3kt1 n LYS 305 Ca 0.28 -2.20 0.00 0.00 -1.05 0.00 0.00 58.31 55.34 3kt1 n LYS 305 Cb 1.02 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 3kt1 n LYS 305 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3kt1 n VAL 328 N 1.45 0.00 -3.68 0.58 3.14 -0.71 -5.14 118.33 113.97 3kt1 n VAL 328 Ca 0.18 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.39 3kt1 n VAL 328 Cb 0.60 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.22 3kt1 n VAL 328 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3kt1 s LYS 329 N 0.00 -0.01 -0.09 1.45 2.47 -1.26 -5.13 119.74 117.18 3kt1 s LYS 329 Ca 0.00 0.48 0.02 0.00 -1.56 0.00 0.00 55.97 54.91 3kt1 s LYS 329 Cb 0.00 -0.35 -0.02 0.00 -1.46 0.00 0.00 37.83 36.00 3kt1 s LYS 329 CO 0.00 -0.30 -0.14 -0.51 0.16 0.00 0.00 175.35 174.55 3kt1 s LEU 330 N 2.16 2.69 0.81 5.43 1.02 -1.26 -4.95 118.68 124.58 3kt1 s LEU 330 Ca 0.03 -0.27 -0.11 0.00 0.02 0.00 0.00 54.13 53.79 3kt1 s LEU 330 Cb -0.12 -1.57 0.08 0.00 0.02 0.00 0.00 46.19 44.60 3kt1 s LEU 330 CO -0.05 0.26 1.10 -0.94 0.02 0.00 0.00 176.35 176.74 3kt1 s SER 331 N -0.20 4.34 0.33 2.29 1.04 -1.26 -4.85 113.70 115.38 3kt1 s SER 331 Ca 0.00 1.31 0.06 0.00 0.48 0.00 0.00 55.95 57.81 3kt1 s SER 331 Cb -0.13 -2.04 0.57 0.00 0.10 0.00 0.00 66.02 64.52 3kt1 s SER 331 CO 0.03 -2.07 1.80 -0.33 0.98 0.00 0.00 173.24 173.65 3kt1 h GLU 332 N -1.16 0.34 -0.66 4.02 5.08 -2.00 -1.60 114.58 118.60 3kt1 h GLU 332 Ca -0.47 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 3kt1 h GLU 332 Cb 1.27 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3kt1 h GLU 332 CO 0.59 0.55 0.37 0.00 -1.00 0.00 0.00 179.01 179.52 3kt1 h ALA 333 N 1.46 1.40 -0.19 3.43 0.00 -1.99 -1.43 119.26 121.94 3kt1 h ALA 333 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3kt1 h ALA 333 Cb 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kt1 h ALA 333 CO 0.04 0.50 -0.31 0.93 0.00 0.00 0.00 179.25 180.41 3kt1 h GLU 334 N 0.92 0.55 -0.32 0.00 5.08 -1.71 -1.42 114.58 117.68 3kt1 h GLU 334 Ca 0.23 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kt1 h GLU 334 Cb 0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kt1 h GLU 334 CO -0.04 0.94 0.18 0.74 -1.00 0.00 0.00 179.01 179.83 3kt1 h PHE 335 N 0.21 0.42 -0.52 4.33 0.04 -1.25 -0.50 116.94 119.67 3kt1 h PHE 335 Ca 0.02 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 3kt1 h PHE 335 Cb 0.89 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 3kt1 h PHE 335 CO 0.09 0.30 -0.04 1.15 -0.60 0.00 0.00 178.31 179.20 3kt1 h THR 336 N 0.44 1.27 -0.61 -1.55 2.02 -0.98 -0.94 112.91 112.56 3kt1 h THR 336 Ca 0.12 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 3kt1 h THR 336 Cb 0.01 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3kt1 h THR 336 CO -0.02 0.41 0.14 0.22 0.37 0.00 0.00 175.52 176.63 3kt1 h TYR 337 N 0.81 1.04 -0.14 3.16 3.20 -0.69 -3.02 116.97 121.33 3kt1 h TYR 337 Ca 0.14 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3kt1 h TYR 337 Cb 0.58 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3kt1 h TYR 337 CO 0.04 0.88 -0.28 -0.07 -1.64 0.00 0.00 178.16 177.09 3kt1 h LEU 338 N 0.90 0.26 0.00 2.82 3.38 -0.92 -2.80 115.31 118.95 3kt1 h LEU 338 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kt1 h LEU 338 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kt1 h LEU 338 CO 0.00 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.54 3kt1 n SER 339 N -4.13 0.00 0.03 -0.43 3.41 -0.38 -1.03 113.62 111.09 3kt1 n SER 339 Ca -0.01 0.22 0.04 0.00 -0.26 0.00 0.00 58.87 58.86 3kt1 n SER 339 Cb 0.39 -0.39 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 3kt1 n SER 339 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3kt1 h GLN 340 N 0.00 0.48 0.00 4.33 4.20 -1.48 -3.38 115.11 119.26 3kt1 h GLN 340 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kt1 h GLN 340 Cb 0.30 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3kt1 h GLN 340 CO 0.00 0.32 -0.97 0.66 -0.67 0.00 0.00 178.83 178.17 3kt1 n TYR 341 N -4.48 0.00 -3.13 2.96 4.01 -0.96 -4.78 117.16 110.78 3kt1 n TYR 341 Ca 0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.43 3kt1 n TYR 341 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 3kt1 n TYR 341 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3kt1 s ILE 342 N -1.98 4.66 0.31 -0.72 1.01 -0.19 0.41 121.20 124.70 3kt1 s ILE 342 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 3kt1 s ILE 342 Cb 0.00 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 3kt1 s ILE 342 CO 0.00 -0.12 1.36 -0.55 0.00 0.00 0.00 174.94 175.62 3kt1 s SER 343 N -2.17 6.71 0.55 3.58 0.15 0.42 -4.02 113.70 118.93 3kt1 s SER 343 Ca 0.52 2.70 0.23 0.00 0.70 0.00 0.00 55.95 60.10 3kt1 s SER 343 Cb -0.11 -2.64 1.51 0.00 -1.71 0.00 0.00 66.02 63.07 3kt1 s SER 343 CO 0.18 -0.61 2.17 1.55 1.20 0.00 0.00 173.24 177.73 3kt1 h PRO 344 N 3.85 0.00 -0.98 5.44 0.13 -1.94 -1.29 132.00 137.22 3kt1 h PRO 344 Ca -0.48 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.86 3kt1 h PRO 344 Cb 1.22 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 3kt1 h PRO 344 CO 0.69 0.00 0.62 1.49 -0.23 0.00 0.00 178.00 180.57 3kt1 h GLU 345 N 0.00 0.52 -0.19 0.86 4.81 -1.94 -1.80 114.58 116.84 3kt1 h GLU 345 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kt1 h GLU 345 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3kt1 h GLU 345 CO -0.00 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 179.35 3kt1 n HIS 346 N -4.63 0.22 0.41 0.92 -0.00 -0.49 -4.06 115.22 107.59 3kt1 n HIS 346 Ca 0.22 -0.11 0.04 0.00 -0.00 0.00 0.00 57.72 57.87 3kt1 n HIS 346 Cb 0.70 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.66 3kt1 n HIS 346 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3kt1 n LEU 347 N 1.08 0.70 -4.83 2.41 4.77 -0.71 -4.41 117.00 116.01 3kt1 n LEU 347 Ca 0.17 -0.60 -0.31 0.00 -0.03 0.00 0.00 56.01 55.23 3kt1 n LEU 347 Cb 0.53 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3kt1 n LEU 347 CO 0.15 0.15 0.71 -0.94 -1.33 0.00 0.00 177.39 176.14 3kt1 s SER 348 N -1.61 5.62 0.24 -1.43 1.04 -1.01 -4.86 113.70 111.70 3kt1 s SER 348 Ca 0.05 1.58 -0.03 0.00 0.48 0.00 0.00 55.95 58.03 3kt1 s SER 348 Cb 0.07 -2.49 0.28 0.00 0.10 0.00 0.00 66.02 63.98 3kt1 s SER 348 CO 0.31 -1.28 1.73 0.77 0.98 0.00 0.00 173.24 175.75 3kt1 h SER 349 N -0.54 0.81 0.61 7.02 4.64 -1.93 0.11 113.55 124.27 3kt1 h SER 349 Ca -0.44 -0.21 -0.28 0.00 -0.47 0.00 0.00 61.79 60.40 3kt1 h SER 349 Cb 1.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3kt1 h SER 349 CO 0.58 0.88 -1.38 0.11 -0.87 0.00 0.00 176.83 176.16 3kt1 h LYS 350 N 0.78 0.18 -0.23 4.77 1.79 -1.94 -2.16 116.57 119.76 3kt1 h LYS 350 Ca 0.15 -0.31 0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3kt1 h LYS 350 Cb 0.48 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 3kt1 h LYS 350 CO 0.02 1.05 -0.00 0.78 -1.08 0.00 0.00 179.45 180.23 3kt1 h GLY 351 N 2.10 0.22 1.05 3.86 0.00 -1.72 -0.55 103.07 108.04 3kt1 h GLY 351 Ca -0.18 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3kt1 h GLY 351 CO 0.16 -0.05 0.23 -2.22 0.00 0.00 0.00 176.54 174.66 3kt1 h ILE 352 N 0.07 1.26 -0.70 2.60 2.04 -0.84 -2.42 117.51 119.53 3kt1 h ILE 352 Ca 0.11 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 3kt1 h ILE 352 Cb 0.14 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3kt1 h ILE 352 CO -0.18 0.36 0.23 -0.08 0.00 0.00 0.00 178.15 178.47 3kt1 h GLU 353 N 1.09 1.07 -0.13 2.37 4.81 -1.12 -0.21 114.58 122.46 3kt1 h GLU 353 Ca 0.24 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3kt1 h GLU 353 Cb 0.30 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kt1 h GLU 353 CO -0.01 0.91 0.05 -0.22 -0.73 0.00 0.00 179.01 179.01 3kt1 h LYS 354 N 1.04 0.20 -0.40 1.92 3.64 -0.93 -2.68 116.57 119.35 3kt1 h LYS 354 Ca 0.23 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3kt1 h LYS 354 Cb 0.28 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3kt1 h LYS 354 CO -0.01 0.31 0.21 -0.07 -2.27 0.00 0.00 179.45 177.61 3kt1 h LEU 355 N 0.05 0.31 -0.97 5.20 3.38 -1.02 -1.43 115.31 120.84 3kt1 h LEU 355 Ca 0.04 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3kt1 h LEU 355 Cb 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3kt1 h LEU 355 CO -0.00 0.23 0.61 1.56 0.09 0.00 0.00 178.44 180.93 3kt1 h GLN 356 N 0.42 1.02 0.11 1.13 4.20 -1.01 -0.81 115.11 120.17 3kt1 h GLN 356 Ca 0.17 -0.06 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 3kt1 h GLN 356 Cb 0.06 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 3kt1 h GLN 356 CO -0.11 0.68 -1.21 1.57 -0.67 0.00 0.00 178.83 179.09 3kt1 h LYS 357 N 1.05 0.22 -0.84 1.46 2.10 -1.13 -2.46 116.57 116.98 3kt1 h LYS 357 Ca 0.45 -0.38 0.02 0.00 -2.00 0.00 0.00 60.65 58.73 3kt1 h LYS 357 Cb 0.30 0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 3kt1 h LYS 357 CO -0.21 1.18 0.55 1.96 -2.00 0.00 0.00 179.45 180.93 3kt1 h GLN 358 N 0.06 1.08 -0.24 0.07 4.20 -0.82 -2.05 115.11 117.41 3kt1 h GLN 358 Ca -0.12 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 3kt1 h GLN 358 Cb 1.94 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 3kt1 h GLN 358 CO 0.19 0.71 -0.47 0.35 -0.67 0.00 0.00 178.83 178.94 3kt1 h PHE 359 N 1.11 0.77 -0.75 2.96 3.57 -1.09 -0.28 116.94 123.22 3kt1 h PHE 359 Ca 0.31 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3kt1 h PHE 359 Cb -0.09 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3kt1 h PHE 359 CO -0.00 0.98 0.31 0.28 -2.23 0.00 0.00 178.31 177.65 3kt1 h VAL 360 N 0.50 1.25 -0.00 1.41 2.07 -1.07 -0.43 116.25 119.98 3kt1 h VAL 360 Ca 0.03 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3kt1 h VAL 360 Cb 1.01 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kt1 h VAL 360 CO 0.09 0.32 -0.03 -0.33 0.02 0.00 0.00 177.57 177.65 3kt1 h GLU 361 N 1.08 0.02 0.00 1.57 5.08 -1.27 -3.38 114.58 117.68 3kt1 h GLU 361 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kt1 h GLU 361 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3kt1 h GLU 361 CO -0.02 0.78 -1.26 0.09 -1.00 0.00 0.00 179.01 177.59 3kt1 n ASN 362 N -4.70 0.73 -3.49 1.42 3.02 -0.13 -4.97 115.26 107.15 3kt1 n ASN 362 Ca -0.09 -0.65 -0.26 0.00 -0.03 0.00 0.00 54.58 53.55 3kt1 n ASN 362 Cb 0.38 1.31 0.01 0.00 -0.61 0.00 0.00 39.78 40.88 3kt1 n ASN 362 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kt1 n SER 363 N -1.71 -4.60 -3.50 6.41 7.64 -0.17 -4.95 113.62 112.74 3kt1 n SER 363 Ca 0.01 -0.51 -0.10 0.00 1.01 0.00 0.00 58.87 59.29 3kt1 n SER 363 Cb 0.38 -3.73 -0.03 0.00 -1.01 0.00 0.00 64.21 59.82 3kt1 n SER 363 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kt1 s SER 364 N -2.92 -0.42 0.01 6.43 1.04 -1.26 -2.07 113.70 114.52 3kt1 s SER 364 Ca 0.48 0.09 0.03 0.00 0.48 0.00 0.00 55.95 57.02 3kt1 s SER 364 Cb -0.24 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3kt1 s SER 364 CO 0.59 -0.65 -0.09 -0.76 0.98 0.00 0.00 173.24 173.31 3kt1 s LEU 365 N -2.30 2.08 -0.37 2.42 1.43 0.94 -4.12 118.68 118.76 3kt1 s LEU 365 Ca 0.03 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3kt1 s LEU 365 Cb -0.01 -0.40 0.12 0.00 0.03 0.00 0.00 46.19 45.93 3kt1 s LEU 365 CO -0.07 0.03 0.15 -1.10 0.23 0.00 0.00 176.35 175.59 3kt1 s GLN 366 N -0.59 1.03 -0.17 1.70 -0.21 -1.26 -0.33 119.66 119.83 3kt1 s GLN 366 Ca 0.01 -1.56 -0.10 0.00 0.02 0.00 0.00 55.36 53.73 3kt1 s GLN 366 Cb -0.05 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 3kt1 s GLN 366 CO 0.00 -1.06 0.16 0.42 -2.12 0.00 0.00 175.29 172.69 3kt1 s ILE 367 N 1.00 5.41 0.26 1.08 1.01 0.14 -4.96 121.20 125.14 3kt1 s ILE 367 Ca 0.13 0.25 0.04 0.00 0.00 0.00 0.00 60.65 61.07 3kt1 s ILE 367 Cb -0.21 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3kt1 s ILE 367 CO -0.12 0.48 0.40 -1.61 0.00 0.00 0.00 174.94 174.09 3kt1 s GLU 368 N 0.01 3.45 -0.96 2.79 2.02 -1.26 -0.55 118.70 124.21 3kt1 s GLU 368 Ca 0.11 -0.64 -0.23 0.00 0.02 0.00 0.00 54.97 54.23 3kt1 s GLU 368 Cb -0.12 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.30 3kt1 s GLU 368 CO 0.00 0.37 0.57 0.43 0.02 0.00 0.00 175.26 176.65 3kt1 n SER 369 N -1.42 -3.68 0.06 -0.19 7.64 -0.99 -4.89 113.62 110.15 3kt1 n SER 369 Ca -0.08 -1.06 -0.12 0.00 1.01 0.00 0.00 58.87 58.63 3kt1 n SER 369 Cb 0.57 -1.36 -0.08 0.00 -1.01 0.00 0.00 64.21 62.32 3kt1 n SER 369 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3kt1 h PHE 370 N -1.41 -0.20 -4.01 1.43 3.57 -1.54 -3.42 116.94 111.36 3kt1 h PHE 370 Ca -0.60 -0.00 -0.45 0.00 3.53 0.00 0.00 57.97 60.44 3kt1 h PHE 370 Cb 1.21 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3kt1 h PHE 370 CO 0.29 0.25 0.30 -0.51 -2.23 0.00 0.00 178.31 176.40 3kt1 s LEU 371 N -9.08 3.93 1.08 0.59 1.43 -1.26 -0.44 118.68 114.93 3kt1 s LEU 371 Ca -0.14 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 3kt1 s LEU 371 Cb 0.01 -4.45 0.23 0.00 0.03 0.00 0.00 46.19 42.01 3kt1 s LEU 371 CO 0.52 -0.35 1.06 0.54 0.23 0.00 0.00 176.35 178.35 3kt1 s ASN 372 N -2.29 1.80 0.26 2.29 6.03 0.17 -4.29 114.94 118.91 3kt1 s ASN 372 Ca 0.60 1.42 -0.04 0.00 -1.03 0.00 0.00 52.86 53.81 3kt1 s ASN 372 Cb -0.09 -2.14 0.32 0.00 -3.03 0.00 0.00 41.25 36.31 3kt1 s ASN 372 CO 0.16 -3.68 1.92 0.44 -2.03 0.00 0.00 177.10 173.91 3kt1 h ASP 373 N -2.27 1.05 0.03 3.54 3.32 -1.92 -0.05 116.42 120.12 3kt1 h ASP 373 Ca -0.57 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.42 3kt1 h ASP 373 Cb 1.33 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3kt1 h ASP 373 CO 0.53 0.80 -0.01 -0.78 -1.72 0.00 0.00 179.24 178.05 3kt1 h ASP 374 N 1.22 -0.03 0.06 6.45 3.58 -1.95 -0.93 116.42 124.81 3kt1 h ASP 374 Ca 0.32 -0.09 -0.27 0.00 0.42 0.00 0.00 57.03 57.41 3kt1 h ASP 374 Cb -0.07 0.01 0.02 0.00 1.72 0.00 0.00 39.33 41.01 3kt1 h ASP 374 CO -0.06 0.07 -1.08 0.11 -2.88 0.00 0.00 179.24 175.40 3kt1 h LYS 375 N -0.13 0.67 -0.66 0.28 1.79 -1.83 -1.95 116.57 114.72 3kt1 h LYS 375 Ca -0.00 -0.75 0.11 0.00 -2.18 0.00 0.00 60.65 57.83 3kt1 h LYS 375 Cb 0.12 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 3kt1 h LYS 375 CO 0.01 1.32 0.26 1.03 -1.08 0.00 0.00 179.45 180.98 3kt1 h SER 376 N 0.36 0.25 -0.34 0.86 0.87 -1.02 -0.90 113.55 113.63 3kt1 h SER 376 Ca -0.14 0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.34 3kt1 h SER 376 Cb 1.73 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.75 3kt1 h SER 376 CO 0.21 0.13 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.87 3kt1 h GLU 377 N 0.43 0.90 0.28 2.24 5.08 -1.07 -1.69 114.58 120.76 3kt1 h GLU 377 Ca 0.34 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3kt1 h GLU 377 Cb 0.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3kt1 h GLU 377 CO -0.34 1.16 -0.25 1.25 -1.00 0.00 0.00 179.01 179.83 3kt1 h LEU 378 N 0.71 -0.66 -0.89 1.33 6.46 -1.14 -1.95 115.31 119.17 3kt1 h LEU 378 Ca 0.04 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3kt1 h LEU 378 Cb 1.04 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.16 3kt1 h LEU 378 CO 0.10 -0.37 0.38 -0.07 -0.62 0.00 0.00 178.44 177.86 3kt1 h LEU 379 N -0.55 1.07 -0.66 2.25 3.38 -1.15 -1.81 115.31 117.85 3kt1 h LEU 379 Ca -0.01 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3kt1 h LEU 379 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kt1 h LEU 379 CO -0.04 0.91 0.01 0.50 0.09 0.00 0.00 178.44 179.92 3kt1 h LYS 380 N 1.17 1.05 -0.41 1.13 3.64 -1.24 -1.02 116.57 120.89 3kt1 h LYS 380 Ca 0.28 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3kt1 h LYS 380 Cb 0.14 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3kt1 h LYS 380 CO -0.03 1.02 0.02 -0.22 -2.27 0.00 0.00 179.45 177.97 3kt1 h LYS 381 N 0.97 0.70 -0.01 1.90 3.64 -0.90 -0.85 116.57 122.01 3kt1 h LYS 381 Ca 0.17 -0.21 -0.24 0.00 -1.27 0.00 0.00 60.65 59.10 3kt1 h LYS 381 Cb 0.54 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3kt1 h LYS 381 CO 0.03 0.78 -0.96 -0.39 -2.27 0.00 0.00 179.45 176.63 3kt1 h VAL 382 N 0.54 1.36 -0.08 2.00 -1.51 -1.21 -1.85 116.25 115.50 3kt1 h VAL 382 Ca 0.12 -2.36 -0.02 0.00 -1.23 0.00 0.00 66.70 63.21 3kt1 h VAL 382 Cb 0.45 2.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3kt1 h VAL 382 CO 0.02 0.71 -0.03 0.40 -1.23 0.00 0.00 177.57 177.44 3kt1 h ILE 383 N 0.29 1.31 -0.72 7.19 2.04 -1.23 -1.66 117.51 124.73 3kt1 h ILE 383 Ca -0.09 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 64.84 3kt1 h ILE 383 Cb 1.60 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 39.42 3kt1 h ILE 383 CO 0.17 0.28 0.41 0.11 0.00 0.00 0.00 178.15 179.12 3kt1 h LYS 384 N -0.19 0.72 -0.71 2.37 1.57 -1.21 -0.79 116.57 118.33 3kt1 h LYS 384 Ca 0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3kt1 h LYS 384 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3kt1 h LYS 384 CO 0.01 0.47 0.27 0.37 -0.57 0.00 0.00 179.45 180.00 3kt1 h GLN 385 N 0.74 1.06 -0.52 3.15 -0.00 -1.30 -1.62 115.11 116.62 3kt1 h GLN 385 Ca 0.33 -0.20 -0.07 0.00 -0.00 0.00 0.00 58.65 58.71 3kt1 h GLN 385 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 3kt1 h GLN 385 CO -0.20 0.88 0.05 -0.22 0.00 0.00 0.00 178.83 179.34 3kt1 h LYS 386 N 1.01 0.88 -0.67 1.69 3.64 -0.73 -2.10 116.57 120.30 3kt1 h LYS 386 Ca 0.23 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3kt1 h LYS 386 Cb 0.23 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3kt1 h LYS 386 CO -0.02 0.89 0.23 0.93 -2.27 0.00 0.00 179.45 179.21 3kt1 h GLU 387 N 0.76 1.01 0.00 1.90 4.39 -0.89 -2.05 114.58 119.71 3kt1 h GLU 387 Ca 0.15 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kt1 h GLU 387 Cb 0.46 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3kt1 h GLU 387 CO 0.02 0.85 -1.48 1.28 -1.16 0.00 0.00 179.01 178.53 3kt1 n LEU 388 N -4.28 0.41 0.00 1.33 4.77 -0.63 -4.54 117.00 114.06 3kt1 n LEU 388 Ca 0.06 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kt1 n LEU 388 Cb 0.20 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kt1 n LEU 388 CO 0.40 -0.02 0.02 -0.62 -1.33 0.00 0.00 177.39 175.84 3kt1 n GLU 389 N -2.26 4.52 -4.33 3.23 1.02 -0.80 -5.06 120.64 116.97 3kt1 n GLU 389 Ca -0.01 -0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 3kt1 n GLU 389 Cb 0.52 -0.41 -0.10 0.00 -0.02 0.00 0.00 31.44 31.43 3kt1 n GLU 389 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kt1 s GLN 390 N -0.65 1.84 0.14 3.49 -0.21 -0.77 -4.59 119.66 118.91 3kt1 s GLN 390 Ca 0.00 -1.32 -0.12 0.00 0.02 0.00 0.00 55.36 53.94 3kt1 s GLN 390 Cb 0.00 -2.06 -0.07 0.00 1.00 0.00 0.00 33.01 31.88 3kt1 s GLN 390 CO 0.00 0.44 0.51 -1.21 -2.12 0.00 0.00 175.29 172.90 3kt1 s GLU 391 N -2.62 3.89 -0.11 2.91 0.41 -1.26 -4.78 118.70 117.14 3kt1 s GLU 391 Ca 0.22 0.37 -0.00 0.00 -0.41 0.00 0.00 54.97 55.15 3kt1 s GLU 391 Cb -0.09 -2.91 -0.02 0.00 -1.78 0.00 0.00 34.13 29.32 3kt1 s GLU 391 CO 0.12 0.48 -0.09 0.00 -0.49 0.00 0.00 175.26 175.28 3kt1 s PRO 393 N -0.02 4.17 -0.14 0.00 0.04 -1.26 -4.91 135.00 132.88 3kt1 s PRO 393 Ca -0.02 2.48 0.17 0.00 0.04 0.00 0.00 61.00 63.68 3kt1 s PRO 393 Cb -0.14 -3.33 0.39 0.00 0.04 0.00 0.00 34.50 31.46 3kt1 s PRO 393 CO 0.03 -0.73 1.27 0.66 0.04 0.00 0.00 177.00 178.28 3kt1 n TYR 394 N 4.72 0.44 -3.77 0.56 4.02 -1.26 -4.94 117.16 116.93 3kt1 n TYR 394 Ca 0.16 -0.91 -0.13 0.00 -0.01 0.00 0.00 57.90 57.01 3kt1 n TYR 394 Cb 0.38 -0.22 -0.11 0.00 -0.02 0.00 0.00 39.34 39.37 3kt1 n TYR 394 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3kt1 s HIS 395 N -2.74 -0.32 0.61 -0.72 2.46 -1.26 -5.05 115.29 108.26 3kt1 s HIS 395 Ca 0.35 0.79 0.36 0.00 0.47 0.00 0.00 55.06 57.03 3kt1 s HIS 395 Cb 0.29 0.11 2.06 0.00 -0.13 0.00 0.00 32.58 34.91 3kt1 s HIS 395 CO 0.06 -0.16 2.30 0.66 -2.47 0.00 0.00 174.74 175.13 3kt1 h SER 396 N 5.71 0.00 1.34 9.88 4.64 -1.96 -0.66 113.55 132.50 3kt1 h SER 396 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3kt1 h SER 396 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kt1 h SER 396 CO 0.32 0.00 0.00 0.07 -0.87 0.00 0.00 176.83 176.36 3kt1 h LYS 397 N 0.00 0.00 -0.00 4.77 2.10 -1.96 -3.11 116.57 118.36 3kt1 h LYS 397 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kt1 h LYS 397 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3kt1 h LYS 397 CO 0.00 0.00 -0.48 -0.25 -2.00 0.00 0.00 179.45 176.72 3kt1 n ASP 398 N -2.97 0.95 -4.69 7.07 8.00 -0.26 -4.91 116.55 119.75 3kt1 n ASP 398 Ca 0.02 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 3kt1 n ASP 398 Cb 0.38 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 3kt1 n ASP 398 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kt1 s VAL 399 N -2.75 3.86 0.37 2.53 1.01 -1.18 -4.82 120.40 119.42 3kt1 s VAL 399 Ca 0.16 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.47 3kt1 s VAL 399 Cb 0.18 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3kt1 s VAL 399 CO 0.64 0.00 0.05 -0.54 0.00 0.00 0.00 175.10 175.25 3kt1 s LYS 400 N 2.26 2.08 0.30 2.72 1.02 -1.26 -4.96 119.74 121.90 3kt1 s LYS 400 Ca 0.61 -1.83 -0.28 0.00 0.02 0.00 0.00 55.97 54.49 3kt1 s LYS 400 Cb -0.30 -1.89 -0.14 0.00 -0.52 0.00 0.00 37.83 34.99 3kt1 s LYS 400 CO 0.25 0.05 1.10 0.00 -0.92 0.00 0.00 175.35 175.83 3kt1 n ALA 401 N -1.02 0.23 -0.49 5.17 0.00 -1.26 -0.55 120.51 122.58 3kt1 n ALA 401 Ca -0.04 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 3kt1 n ALA 401 Cb 0.64 -2.09 0.26 0.00 0.00 0.00 0.00 19.45 18.25 3kt1 n ALA 401 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kt1 n PRO 402 N 0.69 3.39 -3.49 0.00 -0.04 -1.26 -5.04 135.00 129.25 3kt1 n PRO 402 Ca 0.08 -2.34 -0.32 0.00 -0.04 0.00 0.00 63.50 60.87 3kt1 n PRO 402 Cb 0.33 -2.03 -0.05 0.00 -0.04 0.00 0.00 33.50 31.71 3kt1 n PRO 402 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kt1 s TRP 403 N -2.37 3.47 0.16 0.54 0.52 0.28 -4.52 118.94 117.03 3kt1 s TRP 403 Ca 0.42 0.81 0.07 0.00 0.02 0.00 0.00 56.10 57.42 3kt1 s TRP 403 Cb 0.33 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 3kt1 s TRP 403 CO 0.11 0.36 -0.16 0.15 0.02 0.00 0.00 176.95 177.43 3kt1 s LYS 404 N -2.58 1.19 -0.24 4.98 1.02 -0.16 -4.52 119.74 119.43 3kt1 s LYS 404 Ca 0.43 -1.38 -0.09 0.00 0.02 0.00 0.00 55.97 54.95 3kt1 s LYS 404 Cb -0.12 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 3kt1 s LYS 404 CO 0.21 0.21 0.12 0.99 -0.92 0.00 0.00 175.35 175.96 3kt1 s THR 405 N -2.31 4.91 0.18 2.17 2.01 -1.26 -1.09 115.64 120.26 3kt1 s THR 405 Ca 0.15 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 3kt1 s THR 405 Cb -0.04 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.09 3kt1 s THR 405 CO 0.05 0.35 1.50 0.00 -0.69 0.00 0.00 174.62 175.83 3kt1 s ALA 406 N 1.22 3.70 0.05 7.40 0.00 0.42 -4.85 121.76 129.70 3kt1 s ALA 406 Ca 0.06 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 3kt1 s ALA 406 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3kt1 s ALA 406 CO 0.05 -0.74 -0.00 0.96 0.00 0.00 0.00 175.76 176.03 3kt1 s ILE 407 N 0.76 0.20 0.46 0.00 -4.36 -0.62 -4.17 121.20 113.47 3kt1 s ILE 407 Ca 0.66 -1.61 -0.07 0.00 -0.26 0.00 0.00 60.65 59.37 3kt1 s ILE 407 Cb -0.42 -1.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 3kt1 s ILE 407 CO 0.35 -0.89 0.80 -2.16 0.24 0.00 0.00 174.94 173.28 3kt1 s PRO 408 N -3.55 3.62 0.00 0.37 0.04 -1.26 -1.22 135.00 133.01 3kt1 s PRO 408 Ca 0.03 0.32 0.18 0.00 0.04 0.00 0.00 61.00 61.58 3kt1 s PRO 408 Cb 0.05 -2.36 0.96 0.00 0.04 0.00 0.00 34.50 33.19 3kt1 s PRO 408 CO -0.09 -0.17 1.56 -0.35 0.04 0.00 0.00 177.00 177.98 3kt1 n PRO 409 N -1.98 0.31 -0.21 0.56 -0.04 -1.23 -0.83 135.00 131.58 3kt1 n PRO 409 Ca 0.01 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 3kt1 n PRO 409 Cb 0.55 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.77 3kt1 n PRO 409 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3kt1 n HIS 410 N -1.25 0.55 0.00 0.54 1.44 -1.26 -4.23 115.22 111.00 3kt1 n HIS 410 Ca 0.09 -0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 3kt1 n HIS 410 Cb 0.14 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.25 3kt1 n HIS 410 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kt1 n LYS 411 N 0.99 0.86 -3.58 -1.40 5.02 -0.01 -4.99 118.16 115.05 3kt1 n LYS 411 Ca 0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 3kt1 n LYS 411 Cb 0.46 -0.93 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 3kt1 n LYS 411 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kt1 s ALA 412 N -1.85 -2.01 -0.17 7.82 0.00 -0.56 -3.30 121.76 121.69 3kt1 s ALA 412 Ca 0.00 1.33 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 3kt1 s ALA 412 Cb 0.00 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.27 3kt1 s ALA 412 CO 0.00 -0.67 0.41 0.50 0.00 0.00 0.00 175.76 175.99 3kt1 s ARG 413 N -2.63 0.38 0.04 0.00 3.52 -0.49 -3.50 118.95 116.26 3kt1 s ARG 413 Ca 0.09 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.22 3kt1 s ARG 413 Cb -0.01 0.02 0.10 0.00 -1.56 0.00 0.00 34.95 33.51 3kt1 s ARG 413 CO -0.05 -0.17 1.19 1.52 -0.81 0.00 0.00 175.30 176.97 3kt1 s TYR 414 N 1.59 -0.07 0.00 5.12 -0.85 -1.26 -0.09 117.35 121.80 3kt1 s TYR 414 Ca -0.08 -0.10 -0.07 0.00 -0.52 0.00 0.00 57.07 56.30 3kt1 s TYR 414 Cb -0.09 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 3kt1 s TYR 414 CO -0.13 -0.44 0.28 -0.51 -1.52 0.00 0.00 175.55 173.23 3kt1 s LEU 415 N -2.97 4.38 0.02 -3.49 1.43 -0.51 -0.43 118.68 117.10 3kt1 s LEU 415 Ca 0.14 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3kt1 s LEU 415 Cb 0.03 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3kt1 s LEU 415 CO -0.02 0.26 0.23 -0.72 0.23 0.00 0.00 176.35 176.33 3kt1 s TYR 416 N -1.27 -0.03 -0.23 0.29 1.13 -0.25 -0.76 117.35 116.24 3kt1 s TYR 416 Ca 0.27 -0.10 -0.03 0.00 -1.41 0.00 0.00 57.07 55.80 3kt1 s TYR 416 Cb -0.13 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.74 3kt1 s TYR 416 CO 0.15 -0.41 -0.05 0.42 -2.51 0.00 0.00 175.55 173.15 3kt1 s ILE 417 N -2.13 3.27 -0.42 -3.49 1.01 0.60 -0.99 121.20 119.05 3kt1 s ILE 417 Ca -0.08 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.06 3kt1 s ILE 417 Cb -0.03 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.81 3kt1 s ILE 417 CO -0.01 0.37 0.39 -0.90 0.00 0.00 0.00 174.94 174.79 3kt1 n ASP 418 N 4.77 0.63 0.00 3.58 3.85 -1.26 -1.39 116.55 126.74 3kt1 n ASP 418 Ca -0.18 -0.67 0.00 0.00 -0.71 0.00 0.00 54.79 53.23 3kt1 n ASP 418 Cb 0.50 1.04 0.00 0.00 -1.35 0.00 0.00 41.12 41.31 3kt1 n ASP 418 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kt1 n GLY 419 N 1.28 0.90 3.92 6.12 0.00 -1.26 -4.59 105.19 111.56 3kt1 n GLY 419 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3kt1 n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kt1 s LYS 420 N -0.28 2.46 0.62 1.61 1.02 -1.26 -0.81 119.74 123.10 3kt1 s LYS 420 Ca 0.00 -0.09 -0.19 0.00 0.02 0.00 0.00 55.97 55.71 3kt1 s LYS 420 Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3kt1 s LYS 420 CO 0.00 -1.08 1.23 -0.85 -0.92 0.00 0.00 175.35 173.72 3kt1 n GLU 421 N -2.86 1.15 -1.70 1.68 0.28 -1.26 -4.87 120.64 113.07 3kt1 n GLU 421 Ca 0.07 0.44 -0.42 0.00 -0.16 0.00 0.00 57.16 57.09 3kt1 n GLU 421 Cb 0.59 -2.45 -0.00 0.00 1.43 0.00 0.00 31.44 31.01 3kt1 n GLU 421 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3kt1 n TYR 422 N -1.74 2.25 -3.73 -1.84 4.19 -1.26 -5.00 117.16 110.02 3kt1 n TYR 422 Ca 0.15 0.55 -0.13 0.00 3.31 0.00 0.00 57.90 61.77 3kt1 n TYR 422 Cb 0.47 -2.41 -0.14 0.00 0.49 0.00 0.00 39.34 37.76 3kt1 n TYR 422 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3kt1 s ARG 423 N -1.92 0.14 -0.26 2.98 6.06 -1.26 -5.12 118.95 119.57 3kt1 s ARG 423 Ca 0.56 0.46 -0.02 0.00 -2.50 0.00 0.00 55.73 54.23 3kt1 s ARG 423 Cb -0.56 -0.16 0.09 0.00 0.06 0.00 0.00 34.95 34.38 3kt1 s ARG 423 CO 0.62 -0.18 0.08 1.21 -2.50 0.00 0.00 175.30 174.53 3kt1 s ASN 424 N 1.32 3.50 -0.63 -2.12 3.84 -1.26 -4.66 114.94 114.92 3kt1 s ASN 424 Ca -0.08 -1.26 -0.21 0.00 0.21 0.00 0.00 52.86 51.52 3kt1 s ASN 424 Cb -0.11 -0.64 0.08 0.00 -0.55 0.00 0.00 41.25 40.04 3kt1 s ASN 424 CO -0.07 -0.38 0.85 -0.36 -2.79 0.00 0.00 177.10 174.34 3kt1 s PHE 425 N 1.83 2.82 -0.02 0.43 0.08 -1.26 -4.79 117.98 117.07 3kt1 s PHE 425 Ca 0.06 -0.73 0.10 0.00 0.12 0.00 0.00 56.93 56.48 3kt1 s PHE 425 Cb -0.17 -4.17 -0.16 0.00 -0.57 0.00 0.00 43.02 37.95 3kt1 s PHE 425 CO -0.22 -1.49 0.23 1.04 -0.10 0.00 0.00 175.22 174.67 3kt1 n GLN 426 N 7.10 0.33 -4.23 0.44 1.13 -1.26 -4.95 117.38 115.94 3kt1 n GLN 426 Ca -0.06 -0.09 -0.13 0.00 -1.94 0.00 0.00 57.00 54.77 3kt1 n GLN 426 Cb 0.44 -1.24 -0.10 0.00 0.11 0.00 0.00 30.24 29.45 3kt1 n GLN 426 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3kt1 s THR 427 N -2.71 0.67 0.25 5.09 -4.23 -1.26 -4.96 115.64 108.50 3kt1 s THR 427 Ca -0.04 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3kt1 s THR 427 Cb 0.07 -2.06 0.23 0.00 1.34 0.00 0.00 72.50 72.08 3kt1 s THR 427 CO 0.43 -0.53 1.81 -0.08 -0.54 0.00 0.00 174.62 175.71 3kt1 h GLU 428 N 2.73 0.80 -0.34 3.99 4.81 -1.97 -2.55 114.58 122.05 3kt1 h GLU 428 Ca -0.36 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.88 3kt1 h GLU 428 Cb 1.20 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 3kt1 h GLU 428 CO 0.63 0.53 -0.01 0.00 -0.73 0.00 0.00 179.01 179.43 3kt1 h ALA 429 N 1.48 0.30 -0.90 2.92 0.00 -1.95 0.87 119.26 121.97 3kt1 h ALA 429 Ca 0.43 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.57 3kt1 h ALA 429 Cb 0.41 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3kt1 h ALA 429 CO -0.26 -0.41 0.52 -0.44 0.00 0.00 0.00 179.25 178.66 3kt1 h ASP 430 N 0.08 0.71 -0.09 0.00 3.45 -1.83 -1.13 116.42 117.61 3kt1 h ASP 430 Ca 0.17 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 3kt1 h ASP 430 Cb 0.23 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3kt1 h ASP 430 CO -0.29 0.34 -0.25 0.40 -1.57 0.00 0.00 179.24 177.87 3kt1 h ILE 431 N 0.78 1.41 -0.92 0.35 2.04 -1.16 -2.97 117.51 117.04 3kt1 h ILE 431 Ca 0.47 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.75 3kt1 h ILE 431 Cb 0.57 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 3kt1 h ILE 431 CO -0.31 0.46 0.60 -0.07 0.00 0.00 0.00 178.15 178.83 3kt1 h LEU 432 N -0.14 1.06 -0.61 1.44 3.38 -0.51 -1.97 115.31 117.96 3kt1 h LEU 432 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kt1 h LEU 432 Cb 0.87 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3kt1 h LEU 432 CO 0.05 0.77 0.39 -0.08 0.09 0.00 0.00 178.44 179.66 3kt1 h GLU 433 N 1.25 0.81 -0.63 1.13 4.81 -1.27 -0.90 114.58 119.77 3kt1 h GLU 433 Ca 0.34 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3kt1 h GLU 433 Cb -0.14 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.04 3kt1 h GLU 433 CO -0.07 0.56 0.19 0.00 -0.73 0.00 0.00 179.01 178.96 3kt1 h ALA 434 N 1.21 1.15 -0.02 2.92 0.00 -1.21 -1.24 119.26 122.06 3kt1 h ALA 434 Ca 0.22 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3kt1 h ALA 434 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3kt1 h ALA 434 CO -0.04 0.59 -0.65 -0.07 0.00 0.00 0.00 179.25 179.08 3kt1 h LEU 435 N 0.93 0.12 -0.40 0.00 3.38 -1.06 -2.84 115.31 115.44 3kt1 h LEU 435 Ca 0.21 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3kt1 h LEU 435 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kt1 h LEU 435 CO -0.01 0.74 -0.71 -1.13 0.09 0.00 0.00 178.44 177.42 3kt1 h ASN 436 N 0.07 0.00 -2.20 -0.43 -1.24 -0.88 -3.38 115.58 107.52 3kt1 h ASN 436 Ca -0.01 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.41 3kt1 h ASN 436 Cb 1.16 0.00 -0.42 0.00 0.73 0.00 0.00 38.32 39.79 3kt1 h ASN 436 CO 0.09 0.71 -0.63 0.59 -1.29 0.00 0.00 177.43 176.90 3kt1 n ASN 437 N -3.52 3.73 -4.74 1.15 4.13 -0.49 -5.08 115.26 110.44 3kt1 n ASN 437 Ca -0.00 -3.46 -0.42 0.00 1.68 0.00 0.00 54.58 52.38 3kt1 n ASN 437 Cb 0.74 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 38.31 3kt1 n ASN 437 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3kt1 s ASN 438 N -2.64 6.53 0.35 6.41 3.04 -1.12 -4.81 114.94 122.69 3kt1 s ASN 438 Ca 0.42 2.77 0.08 0.00 0.04 0.00 0.00 52.86 56.17 3kt1 s ASN 438 Cb 0.18 -2.62 -0.07 0.00 -1.54 0.00 0.00 41.25 37.20 3kt1 s ASN 438 CO -0.04 -0.81 -0.06 1.51 -3.04 0.00 0.00 177.10 174.66 3kt1 s ASP 439 N 0.56 3.56 0.23 -4.21 3.84 -1.26 -5.14 116.67 114.25 3kt1 s ASP 439 Ca 0.63 -1.25 0.09 0.00 -0.00 0.00 0.00 52.55 52.02 3kt1 s ASP 439 Cb -0.45 -0.32 -0.04 0.00 -1.38 0.00 0.00 42.92 40.73 3kt1 s ASP 439 CO 0.43 -0.31 -0.03 -0.76 -0.00 0.00 0.00 175.17 174.50 3kt1 s LEU 440 N -3.60 3.16 0.30 2.11 1.43 -1.26 -4.98 118.68 115.83 3kt1 s LEU 440 Ca 0.33 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 3kt1 s LEU 440 Cb 0.05 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.41 3kt1 s LEU 440 CO 0.16 0.04 1.51 -2.84 0.23 0.00 0.00 176.35 175.46 3kt1 s PRO 441 N -3.32 4.17 -0.24 1.29 0.02 -1.26 -4.64 135.00 131.03 3kt1 s PRO 441 Ca 0.29 2.48 -0.04 0.00 0.02 0.00 0.00 61.00 63.75 3kt1 s PRO 441 Cb -0.08 -3.04 0.08 0.00 0.02 0.00 0.00 34.50 31.49 3kt1 s PRO 441 CO 0.18 -0.53 0.10 1.21 -0.33 0.00 0.00 177.00 177.64 3kt1 s ASN 442 N 0.27 3.05 0.16 2.53 3.84 0.01 -4.94 114.94 119.87 3kt1 s ASN 442 Ca 0.59 -1.01 -0.09 0.00 0.21 0.00 0.00 52.86 52.57 3kt1 s ASN 442 Cb -0.45 -0.36 0.03 0.00 -0.55 0.00 0.00 41.25 39.91 3kt1 s ASN 442 CO 0.50 -0.39 1.52 -0.26 -2.79 0.00 0.00 177.10 175.68 3kt1 h PHE 443 N 8.38 1.04 -0.60 0.43 -1.00 -1.91 -2.33 116.94 120.94 3kt1 h PHE 443 Ca -0.17 -0.29 -0.06 0.00 2.81 0.00 0.00 57.97 60.26 3kt1 h PHE 443 Cb 1.07 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.39 3kt1 h PHE 443 CO 0.24 1.09 0.16 0.37 -1.61 0.00 0.00 178.31 178.56 3kt1 h GLN 444 N 0.72 0.96 -0.62 1.51 5.75 -1.95 0.18 115.11 121.65 3kt1 h GLN 444 Ca 0.07 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 3kt1 h GLN 444 Cb 0.92 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.32 3kt1 h GLN 444 CO 0.09 0.87 0.16 0.74 -2.65 0.00 0.00 178.83 178.04 3kt1 h PHE 445 N 0.87 0.99 -0.08 3.99 0.04 -1.94 0.14 116.94 120.94 3kt1 h PHE 445 Ca 0.19 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3kt1 h PHE 445 Cb 0.33 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3kt1 h PHE 445 CO 0.02 0.81 0.04 1.15 -0.60 0.00 0.00 178.31 179.74 3kt1 h THR 446 N 0.92 1.11 -0.38 -1.55 2.02 -0.89 -0.16 112.91 113.97 3kt1 h THR 446 Ca 0.20 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3kt1 h THR 446 Cb 0.31 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.80 3kt1 h THR 446 CO -0.00 0.09 -0.14 0.50 0.37 0.00 0.00 175.52 176.34 3kt1 h LYS 447 N 0.02 -0.06 -0.18 6.66 3.64 -0.47 -1.77 116.57 124.41 3kt1 h LYS 447 Ca 0.03 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3kt1 h LYS 447 Cb 0.11 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 3kt1 h LYS 447 CO -0.00 -0.04 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.58 3kt1 h ASP 448 N -0.06 -0.39 -0.69 4.20 3.32 -0.42 -2.71 116.42 119.67 3kt1 h ASP 448 Ca 0.19 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.39 3kt1 h ASP 448 Cb 0.35 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 3kt1 h ASP 448 CO -0.43 -0.16 0.38 0.00 -1.72 0.00 0.00 179.24 177.31 3kt1 h ALA 449 N 1.02 0.93 -0.69 3.45 0.00 -0.67 -2.05 119.26 121.25 3kt1 h ALA 449 Ca 0.11 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3kt1 h ALA 449 Cb 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3kt1 h ALA 449 CO -0.25 0.05 0.33 0.82 0.00 0.00 0.00 179.25 180.20 3kt1 h ILE 450 N 0.69 0.84 -0.84 0.00 2.04 -1.04 -2.10 117.51 117.11 3kt1 h ILE 450 Ca 0.31 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 3kt1 h ILE 450 Cb 0.22 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3kt1 h ILE 450 CO -0.20 0.10 0.41 0.50 0.00 0.00 0.00 178.15 178.96 3kt1 h LYS 451 N 0.57 1.21 0.13 2.37 1.63 -1.08 0.89 116.57 122.28 3kt1 h LYS 451 Ca 0.34 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3kt1 h LYS 451 Cb 0.36 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3kt1 h LYS 451 CO -0.27 0.92 -0.20 0.82 -3.45 0.00 0.00 179.45 177.27 3kt1 h ILE 452 N 1.20 0.54 -0.45 2.00 1.08 -1.13 -1.47 117.51 119.28 3kt1 h ILE 452 Ca 0.29 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.72 3kt1 h ILE 452 Cb 0.11 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3kt1 h ILE 452 CO -0.04 0.00 0.13 0.40 -0.69 0.00 0.00 178.15 177.96 3kt1 h ILE 453 N -0.40 1.23 -0.12 -0.67 2.04 -1.05 -3.12 117.51 115.41 3kt1 h ILE 453 Ca 0.02 -0.77 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 3kt1 h ILE 453 Cb 0.41 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3kt1 h ILE 453 CO -0.10 0.27 -0.43 0.77 0.00 0.00 0.00 178.15 178.66 3kt1 h SER 454 N 0.60 0.31 0.18 1.72 4.64 -0.76 -2.99 113.55 117.25 3kt1 h SER 454 Ca 0.15 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kt1 h SER 454 Cb 0.28 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3kt1 h SER 454 CO -0.00 0.71 -0.06 0.47 -0.87 0.00 0.00 176.83 177.08 3kt1 n ASP 455 N -4.01 0.60 -2.77 4.97 9.92 -0.56 -1.58 116.55 123.13 3kt1 n ASP 455 Ca -0.02 -0.90 0.01 0.00 -0.53 0.00 0.00 54.79 53.36 3kt1 n ASP 455 Cb 0.50 -0.03 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 3kt1 n ASP 455 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kt1 s ALA 456 N -2.25 -4.36 0.00 2.24 0.00 -1.14 -4.17 121.76 112.08 3kt1 s ALA 456 Ca 0.36 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3kt1 s ALA 456 Cb 0.21 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3kt1 s ALA 456 CO 0.42 -2.49 0.00 0.45 0.00 0.00 0.00 175.76 174.14 3kt1 n SER 457 N 3.53 0.00 0.00 0.00 2.88 -1.16 -4.74 113.62 114.13 3kt1 n SER 457 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3kt1 n SER 457 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 3kt1 n SER 457 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kt1 n GLY 458 N 0.00 3.23 2.49 0.46 0.00 -0.61 -5.07 105.19 105.68 3kt1 n GLY 458 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3kt1 n GLY 458 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kt1 n ASN 459 N 0.00 6.81 -4.08 1.61 4.05 -1.14 -4.83 115.26 117.67 3kt1 n ASN 459 Ca 0.00 -2.62 -0.29 0.00 0.45 0.00 0.00 54.58 52.11 3kt1 n ASN 459 Cb 0.00 -1.52 0.19 0.00 1.23 0.00 0.00 39.78 39.68 3kt1 n ASN 459 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3kt1 s SER 460 N 2.69 3.05 0.39 1.20 1.04 -1.26 -4.79 113.70 116.02 3kt1 s SER 460 Ca 0.60 0.13 0.28 0.00 0.48 0.00 0.00 55.95 57.43 3kt1 s SER 460 Cb 0.16 -0.14 0.98 0.00 0.10 0.00 0.00 66.02 67.12 3kt1 s SER 460 CO -0.06 -2.76 1.80 0.03 0.98 0.00 0.00 173.24 173.23 3kt1 h ARG 461 N -1.61 0.00 0.00 4.02 3.08 -1.97 -2.73 114.38 115.17 3kt1 h ARG 461 Ca -0.43 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.41 3kt1 h ARG 461 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 3kt1 h ARG 461 CO 0.34 0.00 -1.49 0.93 -1.07 0.00 0.00 179.97 178.69 3kt1 h GLU 462 N 0.00 0.00 0.00 0.04 3.07 -1.94 -3.42 114.58 112.33 3kt1 h GLU 462 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kt1 h GLU 462 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3kt1 h GLU 462 CO 0.00 0.35 0.00 0.09 -1.40 0.00 0.00 179.01 178.05 3kt1 n ASN 463 N -2.94 0.98 -4.76 1.42 3.02 -1.21 -4.61 115.26 107.14 3kt1 n ASN 463 Ca -0.12 -1.24 -0.33 0.00 -0.03 0.00 0.00 54.58 52.87 3kt1 n ASN 463 Cb 0.90 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 40.14 3kt1 n ASN 463 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kt1 s ASN 464 N -0.24 4.81 -0.39 6.41 2.20 -1.03 -4.85 114.94 121.85 3kt1 s ASN 464 Ca 0.00 1.99 0.05 0.00 -0.94 0.00 0.00 52.86 53.96 3kt1 s ASN 464 Cb 0.00 -2.55 0.51 0.00 -2.00 0.00 0.00 41.25 37.21 3kt1 s ASN 464 CO 0.00 -1.83 1.60 0.49 -2.94 0.00 0.00 177.10 174.42 3kt1 n PHE 465 N -2.78 2.14 -0.36 1.54 3.01 -1.26 -4.76 117.46 114.98 3kt1 n PHE 465 Ca 0.10 -2.06 -0.03 0.00 1.01 0.00 0.00 57.45 56.48 3kt1 n PHE 465 Cb 0.52 -0.73 0.11 0.00 -0.01 0.00 0.00 39.48 39.37 3kt1 n PHE 465 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3kt1 h ASP 466 N 1.42 1.15 0.23 4.37 3.32 -1.93 -0.56 116.42 124.42 3kt1 h ASP 466 Ca 0.39 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 3kt1 h ASP 466 Cb 1.65 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 3kt1 h ASP 466 CO 0.81 0.86 -0.14 0.00 -1.72 0.00 0.00 179.24 179.05 3kt1 h ALA 467 N 1.34 -0.35 -0.54 3.45 0.00 -1.86 -2.40 119.26 118.90 3kt1 h ALA 467 Ca 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3kt1 h ALA 467 Cb -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kt1 h ALA 467 CO -0.07 -0.70 0.32 0.93 0.00 0.00 0.00 179.25 179.72 3kt1 h GLU 468 N -0.36 0.74 -0.06 0.00 3.07 -1.84 -0.33 114.58 115.81 3kt1 h GLU 468 Ca -0.02 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3kt1 h GLU 468 Cb 0.30 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3kt1 h GLU 468 CO 0.02 0.55 0.03 -0.07 -1.40 0.00 0.00 179.01 178.14 3kt1 h LEU 469 N 0.73 0.07 -0.58 1.33 4.07 -1.14 0.52 115.31 120.32 3kt1 h LEU 469 Ca 0.19 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 3kt1 h LEU 469 Cb 0.01 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 3kt1 h LEU 469 CO -0.03 0.14 0.19 0.00 -1.08 0.00 0.00 178.44 177.66 3kt1 h ALA 470 N 0.94 0.76 -0.76 1.53 0.00 -1.30 -1.21 119.26 119.21 3kt1 h ALA 470 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kt1 h ALA 470 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3kt1 h ALA 470 CO -0.00 0.41 0.37 -0.07 0.00 0.00 0.00 179.25 179.95 3kt1 h LEU 471 N 0.81 0.99 -0.59 0.00 3.38 -0.89 -1.75 115.31 117.25 3kt1 h LEU 471 Ca 0.19 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3kt1 h LEU 471 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kt1 h LEU 471 CO -0.01 0.84 -0.28 0.40 0.09 0.00 0.00 178.44 179.48 3kt1 h ILE 472 N 1.09 1.28 -0.79 1.22 2.04 -0.63 0.22 117.51 121.93 3kt1 h ILE 472 Ca 0.26 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.71 3kt1 h ILE 472 Cb 0.11 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3kt1 h ILE 472 CO -0.03 0.47 0.52 0.44 0.00 0.00 0.00 178.15 179.55 3kt1 h ASP 473 N 0.70 0.89 -0.28 1.72 3.45 -0.96 0.39 116.42 122.33 3kt1 h ASP 473 Ca 0.08 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 3kt1 h ASP 473 Cb 0.82 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3kt1 h ASP 473 CO 0.07 0.64 0.04 0.25 -1.57 0.00 0.00 179.24 178.67 3kt1 h LEU 474 N 1.05 0.45 -0.76 1.55 5.85 -0.94 -0.97 115.31 121.55 3kt1 h LEU 474 Ca 0.29 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kt1 h LEU 474 Cb -0.09 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3kt1 h LEU 474 CO -0.07 0.60 0.50 0.00 -0.34 0.00 0.00 178.44 179.13 3kt1 h ALA 475 N 0.86 0.97 -0.33 1.25 0.00 -0.02 -1.90 119.26 120.09 3kt1 h ALA 475 Ca 0.08 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kt1 h ALA 475 Cb 0.35 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kt1 h ALA 475 CO 0.01 0.34 0.17 0.28 0.00 0.00 0.00 179.25 180.05 3kt1 h VAL 476 N 1.00 0.99 -0.75 0.00 2.07 -0.12 -1.00 116.25 118.43 3kt1 h VAL 476 Ca 0.29 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.77 3kt1 h VAL 476 Cb -0.07 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 3kt1 h VAL 476 CO -0.08 0.06 0.41 0.15 0.02 0.00 0.00 177.57 178.13 3kt1 h PHE 477 N 0.34 0.73 0.00 1.57 3.04 -0.68 -0.71 116.94 121.24 3kt1 h PHE 477 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 3kt1 h PHE 477 Cb 0.05 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.34 3kt1 h PHE 477 CO -0.10 0.30 0.00 0.45 -2.02 0.00 0.00 178.31 176.94 3kt1 h HIS 478 N 0.70 0.00 0.00 0.41 3.86 -0.92 -2.36 115.15 116.84 3kt1 h HIS 478 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3kt1 h HIS 478 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3kt1 h HIS 478 CO -0.08 0.00 -0.21 1.17 0.86 0.00 0.00 177.93 179.67 3kt1 n LYS 479 N -2.44 0.08 -2.22 2.45 4.81 -0.35 -4.68 118.16 115.81 3kt1 n LYS 479 Ca 0.03 0.05 -0.36 0.00 -0.87 0.00 0.00 58.31 57.16 3kt1 n LYS 479 Cb 0.34 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3kt1 n LYS 479 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3kt1 s SER 480 N -3.43 5.86 0.21 3.14 1.04 -0.76 -4.94 113.70 114.83 3kt1 s SER 480 Ca 0.12 2.28 -0.09 0.00 0.48 0.00 0.00 55.95 58.74 3kt1 s SER 480 Cb 0.17 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 63.98 3kt1 s SER 480 CO 0.61 -1.13 1.77 0.74 0.98 0.00 0.00 173.24 176.21 3kt1 h THR 481 N 1.49 0.84 -0.44 2.02 2.02 -1.92 -2.80 112.91 114.12 3kt1 h THR 481 Ca -0.50 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 3kt1 h THR 481 Cb 1.26 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3kt1 h THR 481 CO 0.58 0.10 0.18 0.40 0.37 0.00 0.00 175.52 177.15 3kt1 h ILE 482 N 0.54 1.20 -0.84 3.11 2.04 -1.92 -1.19 117.51 120.46 3kt1 h ILE 482 Ca 0.32 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.64 3kt1 h ILE 482 Cb 0.33 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3kt1 h ILE 482 CO -0.26 0.23 0.50 0.15 0.00 0.00 0.00 178.15 178.77 3kt1 h PHE 483 N 0.57 0.93 0.00 1.37 3.04 -1.74 -1.05 116.94 120.05 3kt1 h PHE 483 Ca 0.15 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 3kt1 h PHE 483 Cb 0.18 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3kt1 h PHE 483 CO 0.00 0.44 -0.41 0.87 -2.02 0.00 0.00 178.31 177.19 3kt1 h LYS 484 N 0.89 0.00 -0.52 1.11 1.57 -1.17 0.45 116.57 118.91 3kt1 h LYS 484 Ca 0.38 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3kt1 h LYS 484 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3kt1 h LYS 484 CO -0.20 0.41 0.28 0.87 -0.57 0.00 0.00 179.45 180.25 3kt1 h LYS 485 N 0.00 0.73 -0.67 3.15 1.57 -0.43 -1.06 116.57 119.86 3kt1 h LYS 485 Ca -0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3kt1 h LYS 485 Cb 0.78 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3kt1 h LYS 485 CO 0.05 0.57 0.31 -0.92 -0.57 0.00 0.00 179.45 178.89 3kt1 h TYR 486 N 0.69 0.98 -0.29 -1.35 3.20 -0.31 0.21 116.97 120.10 3kt1 h TYR 486 Ca 0.18 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3kt1 h TYR 486 Cb 0.05 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3kt1 h TYR 486 CO -0.02 0.74 0.14 1.25 -1.64 0.00 0.00 178.16 178.63 3kt1 h LEU 487 N 0.93 0.21 -0.88 2.82 6.46 -0.83 -0.83 115.31 123.19 3kt1 h LEU 487 Ca 0.23 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 3kt1 h LEU 487 Cb 0.14 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 3kt1 h LEU 487 CO -0.03 0.16 0.50 0.00 -0.62 0.00 0.00 178.44 178.45 3kt1 h ALA 488 N 1.15 1.12 -0.32 1.25 0.00 -0.87 -1.86 119.26 119.74 3kt1 h ALA 488 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kt1 h ALA 488 Cb 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3kt1 h ALA 488 CO -0.09 0.61 0.08 1.25 0.00 0.00 0.00 179.25 181.11 3kt1 h LEU 489 N 1.22 0.04 -0.99 0.00 6.46 -0.51 0.44 115.31 121.97 3kt1 h LEU 489 Ca 0.31 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 58.05 3kt1 h LEU 489 Cb 0.00 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 3kt1 h LEU 489 CO -0.05 0.06 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.74 3kt1 h LEU 490 N 0.20 0.68 0.00 2.25 3.38 -0.80 -3.34 115.31 117.68 3kt1 h LEU 490 Ca 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kt1 h LEU 490 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kt1 h LEU 490 CO -0.18 0.76 -1.54 0.35 0.09 0.00 0.00 178.44 177.92 3kt1 n THR 491 N -4.22 0.00 -1.98 0.22 -2.24 -0.73 -4.15 114.28 101.17 3kt1 n THR 491 Ca 0.02 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 3kt1 n THR 491 Cb 0.29 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 3kt1 n THR 491 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kt1 n SER 492 N -1.92 -5.69 -4.45 3.42 7.64 0.15 -4.98 113.62 107.78 3kt1 n SER 492 Ca -0.02 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 59.81 3kt1 n SER 492 Cb 0.35 -4.89 -0.13 0.00 -1.01 0.00 0.00 64.21 58.54 3kt1 n SER 492 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kt1 s LEU 493 N -5.36 2.61 -0.37 -3.43 1.02 -1.24 -4.72 118.68 107.18 3kt1 s LEU 493 Ca 0.00 -0.34 -0.12 0.00 0.02 0.00 0.00 54.13 53.69 3kt1 s LEU 493 Cb 0.00 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.70 3kt1 s LEU 493 CO 0.00 0.29 0.22 0.00 0.02 0.00 0.00 176.35 176.89 3kt1 s PRO 495 N 1.60 4.22 0.00 0.00 0.02 -1.26 -0.80 135.00 138.78 3kt1 s PRO 495 Ca 0.03 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.44 3kt1 s PRO 495 Cb -0.19 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3kt1 s PRO 495 CO 0.08 -0.49 0.54 1.33 -0.33 0.00 0.00 177.00 178.12 3kt1 n VAL 496 N 2.45 0.00 -3.61 3.83 0.24 0.45 -4.80 118.33 116.89 3kt1 n VAL 496 Ca 0.08 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.79 3kt1 n VAL 496 Cb 0.39 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 3kt1 n VAL 496 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kt1 s SER 497 N -0.10 -0.37 -0.01 -1.34 1.04 -1.23 -2.10 113.70 109.59 3kt1 s SER 497 Ca 0.01 -0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 3kt1 s SER 497 Cb 0.01 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3kt1 s SER 497 CO 0.01 -0.95 0.31 -1.83 0.98 0.00 0.00 173.24 171.77 3kt1 s GLU 498 N -3.53 0.68 -0.04 4.02 -1.05 -0.06 -3.66 118.70 115.06 3kt1 s GLU 498 Ca 0.07 -0.19 -0.00 0.00 -0.15 0.00 0.00 54.97 54.69 3kt1 s GLU 498 Cb -0.02 0.30 0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3kt1 s GLU 498 CO -0.04 -0.19 0.01 -1.14 0.95 0.00 0.00 175.26 174.85 3kt1 s GLN 499 N -1.36 0.28 -0.10 -4.83 0.74 0.33 -1.37 119.66 113.35 3kt1 s GLN 499 Ca -0.13 0.14 0.04 0.00 0.05 0.00 0.00 55.36 55.45 3kt1 s GLN 499 Cb -0.05 -0.56 0.00 0.00 1.10 0.00 0.00 33.01 33.50 3kt1 s GLN 499 CO 0.04 -0.20 -0.23 0.42 -0.55 0.00 0.00 175.29 174.77 3kt1 s ILE 500 N 1.38 2.03 0.02 -2.34 1.01 -1.26 -1.09 121.20 120.95 3kt1 s ILE 500 Ca -0.05 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.65 3kt1 s ILE 500 Cb -0.13 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3kt1 s ILE 500 CO -0.03 0.55 -0.13 -0.76 0.00 0.00 0.00 174.94 174.57 3kt1 s LEU 501 N 0.40 2.12 -0.18 2.97 1.02 0.23 -4.76 118.68 120.49 3kt1 s LEU 501 Ca -0.18 -0.38 -0.06 0.00 0.02 0.00 0.00 54.13 53.54 3kt1 s LEU 501 Cb -0.18 -0.60 -0.04 0.00 0.02 0.00 0.00 46.19 45.39 3kt1 s LEU 501 CO 0.08 0.07 0.03 -0.63 0.02 0.00 0.00 176.35 175.92 3kt1 s ILE 502 N -0.67 4.50 0.00 -0.59 1.01 -0.48 -0.22 121.20 124.75 3kt1 s ILE 502 Ca 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.62 3kt1 s ILE 502 Cb -0.07 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 3kt1 s ILE 502 CO 0.01 0.47 -0.25 -0.13 0.00 0.00 0.00 174.94 175.03 3kt1 s ARG 503 N 0.40 1.92 -0.12 2.79 0.52 0.34 -0.29 118.95 124.50 3kt1 s ARG 503 Ca 0.01 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 3kt1 s ARG 503 Cb -0.13 -1.93 0.02 0.00 0.52 0.00 0.00 34.95 33.42 3kt1 s ARG 503 CO 0.01 0.52 -0.16 0.50 0.02 0.00 0.00 175.30 176.19 3kt1 s ARG 504 N -0.80 2.35 -0.44 3.54 3.52 0.06 -1.71 118.95 125.47 3kt1 s ARG 504 Ca 0.10 -0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 3kt1 s ARG 504 Cb -0.10 -2.02 0.09 0.00 -1.56 0.00 0.00 34.95 31.36 3kt1 s ARG 504 CO 0.00 -0.10 0.31 -0.06 -0.81 0.00 0.00 175.30 174.64 3kt1 s PHE 505 N 1.08 3.33 0.27 5.12 0.40 0.66 -1.43 117.98 127.41 3kt1 s PHE 505 Ca -0.04 -1.47 -0.29 0.00 -0.60 0.00 0.00 56.93 54.52 3kt1 s PHE 505 Cb -0.14 -3.13 -0.09 0.00 0.51 0.00 0.00 43.02 40.16 3kt1 s PHE 505 CO -0.04 -0.87 1.14 1.03 0.70 0.00 0.00 175.22 177.17 3kt1 s ARG 506 N 1.46 4.59 -0.02 0.44 0.52 -1.26 -1.72 118.95 122.95 3kt1 s ARG 506 Ca 0.04 1.86 -0.34 0.00 -0.52 0.00 0.00 55.73 56.76 3kt1 s ARG 506 Cb -0.24 -3.19 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 3kt1 s ARG 506 CO 0.02 0.12 1.76 -2.30 0.02 0.00 0.00 175.30 174.93 3kt1 n PRO 507 N 1.36 2.08 -0.82 3.54 -0.02 -1.26 -2.14 135.00 137.74 3kt1 n PRO 507 Ca -0.00 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3kt1 n PRO 507 Cb 0.44 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3kt1 n PRO 507 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kt1 n GLY 508 N 4.03 0.64 1.16 -1.23 0.00 0.21 -4.65 105.19 105.35 3kt1 n GLY 508 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3kt1 n GLY 508 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kt1 n MET 509 N -2.69 0.00 -4.17 1.61 2.81 -0.95 -4.92 117.12 108.82 3kt1 n MET 509 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 3kt1 n MET 509 Cb 0.00 -0.33 -0.08 0.00 -0.71 0.00 0.00 33.22 32.10 3kt1 n MET 509 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kt1 s ASP 510 N -4.53 5.07 -0.16 7.83 -0.00 -0.91 -4.79 116.67 119.18 3kt1 s ASP 510 Ca 0.00 -0.13 -0.34 0.00 -0.00 0.00 0.00 52.55 52.08 3kt1 s ASP 510 Cb 0.00 -1.24 0.13 0.00 -0.00 0.00 0.00 42.92 41.81 3kt1 s ASP 510 CO 0.00 0.20 1.17 0.72 -0.00 0.00 0.00 175.17 177.26 3kt1 s PHE 511 N -1.26 -0.16 0.30 4.23 -0.71 0.87 -1.29 117.98 119.97 3kt1 s PHE 511 Ca 0.24 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.26 3kt1 s PHE 511 Cb -0.12 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.15 3kt1 s PHE 511 CO 0.16 -0.26 0.04 0.95 -1.34 0.00 0.00 175.22 174.78 3kt1 s THR 512 N -2.52 1.19 0.25 -4.49 -4.23 -0.66 -1.39 115.64 103.78 3kt1 s THR 512 Ca 0.09 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 3kt1 s THR 512 Cb -0.01 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 3kt1 s THR 512 CO -0.05 -0.09 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.10 3kt1 s LEU 513 N -3.44 2.98 -0.19 4.79 1.02 -1.21 -4.10 118.68 118.53 3kt1 s LEU 513 Ca 0.35 -0.73 -0.30 0.00 0.02 0.00 0.00 54.13 53.47 3kt1 s LEU 513 Cb 0.08 -1.54 -0.07 0.00 0.02 0.00 0.00 46.19 44.68 3kt1 s LEU 513 CO 0.14 0.04 2.16 0.00 0.02 0.00 0.00 176.35 178.71 3kt1 n ALA 514 N -0.59 1.61 -2.21 4.21 0.00 -1.26 -4.55 120.51 117.72 3kt1 n ALA 514 Ca -0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 3kt1 n ALA 514 Cb 0.58 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 17.12 3kt1 n ALA 514 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kt1 s THR 515 N 7.34 0.79 0.42 0.00 -4.23 -0.76 -4.87 115.64 114.32 3kt1 s THR 515 Ca 1.00 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 3kt1 s THR 515 Cb -0.44 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 3kt1 s THR 515 CO 0.39 -0.73 0.68 -0.54 -0.54 0.00 0.00 174.62 173.88 3kt1 s LYS 516 N -3.84 3.50 0.87 3.99 1.02 -1.26 -1.55 119.74 122.47 3kt1 s LYS 516 Ca 0.16 -0.06 -0.10 0.00 0.02 0.00 0.00 55.97 56.00 3kt1 s LYS 516 Cb 0.05 -2.51 0.12 0.00 -0.52 0.00 0.00 37.83 34.97 3kt1 s LYS 516 CO -0.01 -0.05 1.13 0.00 -0.92 0.00 0.00 175.35 175.50 3kt1 s ARG 518 N -4.73 3.03 0.49 0.00 3.52 -1.26 -5.00 118.95 114.99 3kt1 s ARG 518 Ca 0.65 -0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 55.30 3kt1 s ARG 518 Cb -0.21 -2.48 -0.06 0.00 -1.56 0.00 0.00 34.95 30.64 3kt1 s ARG 518 CO 0.57 -0.06 0.87 -0.06 -0.81 0.00 0.00 175.30 175.81 3kt1 s PHE 519 N 0.93 3.52 -0.23 5.12 0.08 -1.26 -4.98 117.98 121.16 3kt1 s PHE 519 Ca -0.04 1.13 -0.15 0.00 0.12 0.00 0.00 56.93 57.98 3kt1 s PHE 519 Cb -0.15 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 3kt1 s PHE 519 CO -0.05 -0.31 0.37 1.21 -0.10 0.00 0.00 175.22 176.34 3kt1 s ASN 520 N -3.56 6.34 0.10 1.36 3.84 -1.26 -4.95 114.94 116.80 3kt1 s ASN 520 Ca 0.53 0.40 0.16 0.00 0.21 0.00 0.00 52.86 54.16 3kt1 s ASN 520 Cb -0.10 -2.22 0.70 0.00 -0.55 0.00 0.00 41.25 39.08 3kt1 s ASN 520 CO 0.39 -0.11 1.51 -1.84 -2.79 0.00 0.00 177.10 174.26 3kt1 n GLU 521 N 4.81 0.07 0.21 0.43 0.00 -1.26 -1.45 120.64 123.44 3kt1 n GLU 521 Ca -0.09 0.35 0.08 0.00 0.00 0.00 0.00 57.16 57.49 3kt1 n GLU 521 Cb 0.51 -1.64 0.45 0.00 0.00 0.00 0.00 31.44 30.76 3kt1 n GLU 521 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3kt1 h LEU 522 N 0.00 0.00 -1.95 -1.84 5.85 -2.06 -3.13 115.31 112.18 3kt1 h LEU 522 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kt1 h LEU 522 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kt1 h LEU 522 CO 0.00 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.57 3kt1 n LEU 523 N -3.61 2.42 0.06 2.25 4.32 -0.53 -4.63 117.00 117.28 3kt1 n LEU 523 Ca -0.01 -1.33 0.01 0.00 -0.02 0.00 0.00 56.01 54.66 3kt1 n LEU 523 Cb 0.42 -0.09 0.33 0.00 -1.62 0.00 0.00 43.42 42.46 3kt1 n LEU 523 CO 0.35 0.51 0.89 0.50 -1.22 0.00 0.00 177.39 178.42 3kt1 h LYS 524 N 2.52 0.37 -0.00 3.23 1.63 -1.48 -2.89 116.57 119.95 3kt1 h LYS 524 Ca 0.00 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3kt1 h LYS 524 Cb 0.62 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 3kt1 h LYS 524 CO 0.00 0.48 -0.24 0.43 -3.45 0.00 0.00 179.45 176.67 3kt1 n SER 525 N -4.25 0.29 -4.64 4.20 7.64 -1.26 -4.77 113.62 110.83 3kt1 n SER 525 Ca 0.00 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 3kt1 n SER 525 Cb 0.28 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 3kt1 n SER 525 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3kt1 s ASN 526 N -2.93 6.61 0.45 6.43 3.04 -1.09 -4.91 114.94 122.54 3kt1 s ASN 526 Ca 0.15 1.53 0.25 0.00 0.04 0.00 0.00 52.86 54.82 3kt1 s ASN 526 Cb 0.18 -2.54 0.65 0.00 -1.54 0.00 0.00 41.25 38.01 3kt1 s ASN 526 CO 0.60 -1.08 1.72 1.55 -3.04 0.00 0.00 177.10 176.85 3kt1 h PRO 527 N 9.65 0.00 -0.04 0.43 0.13 -1.89 -3.01 132.00 137.28 3kt1 h PRO 527 Ca -0.30 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 3kt1 h PRO 527 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3kt1 h PRO 527 CO 1.00 0.07 -0.58 -0.44 -0.23 0.00 0.00 178.00 177.82 3kt1 h ASP 528 N 0.00 0.15 -2.93 1.44 3.32 -1.96 -3.44 116.42 113.00 3kt1 h ASP 528 Ca -0.00 -0.08 -0.57 0.00 0.02 0.00 0.00 57.03 56.40 3kt1 h ASP 528 Cb 0.88 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 3kt1 h ASP 528 CO 0.01 0.70 1.05 -0.63 -1.72 0.00 0.00 179.24 178.65 3kt1 s ILE 529 N -3.75 3.90 0.31 0.35 1.01 -1.14 -2.93 121.20 118.95 3kt1 s ILE 529 Ca -0.03 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 3kt1 s ILE 529 Cb 0.12 -3.91 -0.13 0.00 0.01 0.00 0.00 42.46 38.56 3kt1 s ILE 529 CO 0.78 -0.36 1.31 -0.38 0.00 0.00 0.00 174.94 176.29 3kt1 n ILE 530 N 6.28 1.66 -1.00 2.92 2.08 -0.29 -4.86 119.36 126.15 3kt1 n ILE 530 Ca 0.17 -0.41 -0.23 0.00 0.56 0.00 0.00 62.75 62.83 3kt1 n ILE 530 Cb 0.46 -1.51 -0.08 0.00 -0.75 0.00 0.00 39.64 37.76 3kt1 n ILE 530 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3kt1 n ASP 531 N 1.26 6.16 -3.55 4.38 10.43 -1.26 -4.75 116.55 129.21 3kt1 n ASP 531 Ca 0.07 -2.42 -0.15 0.00 2.57 0.00 0.00 54.79 54.86 3kt1 n ASP 531 Cb 0.34 -1.32 -0.05 0.00 1.84 0.00 0.00 41.12 41.93 3kt1 n ASP 531 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kt1 s ALA 532 N 2.02 -1.47 -0.15 2.24 0.00 -1.26 -4.36 121.76 118.78 3kt1 s ALA 532 Ca 0.59 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 53.34 3kt1 s ALA 532 Cb 0.21 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3kt1 s ALA 532 CO -0.03 -0.46 -0.07 0.08 0.00 0.00 0.00 175.76 175.28 3kt1 s VAL 533 N -2.04 3.58 -0.09 0.00 1.01 -0.09 -4.40 120.40 118.37 3kt1 s VAL 533 Ca -0.07 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 3kt1 s VAL 533 Cb -0.01 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3kt1 s VAL 533 CO 0.02 0.50 0.60 -0.22 0.00 0.00 0.00 175.10 175.99 3kt1 s LEU 534 N 0.46 4.30 -0.09 3.92 2.96 -0.37 -0.51 118.68 129.35 3kt1 s LEU 534 Ca -0.06 1.02 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 3kt1 s LEU 534 Cb -0.15 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 43.66 3kt1 s LEU 534 CO 0.03 -0.07 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.24 3kt1 s GLU 535 N 0.74 1.26 0.03 1.98 2.12 0.18 -0.57 118.70 124.44 3kt1 s GLU 535 Ca 0.32 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.49 3kt1 s GLU 535 Cb -0.16 -1.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 3kt1 s GLU 535 CO 0.14 -0.21 0.06 0.20 -0.54 0.00 0.00 175.26 174.92 3kt1 s GLY 536 N 1.51 1.99 -0.15 -1.50 0.00 0.16 -0.93 107.32 108.39 3kt1 s GLY 536 Ca 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 3kt1 s GLY 536 CO -0.05 -0.86 0.08 -1.59 0.00 0.00 0.00 173.10 170.67 3kt1 s THR 537 N -1.25 0.01 -0.43 0.90 2.01 0.26 -0.75 115.64 116.38 3kt1 s THR 537 Ca 0.25 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 3kt1 s THR 537 Cb -0.12 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 71.85 3kt1 s THR 537 CO 0.16 -0.19 0.36 -0.22 -0.69 0.00 0.00 174.62 174.05 3kt1 s LEU 538 N 2.10 5.21 -0.09 4.42 0.20 -0.28 -0.89 118.68 129.34 3kt1 s LEU 538 Ca 0.02 -0.98 -0.21 0.00 0.69 0.00 0.00 54.13 53.65 3kt1 s LEU 538 Cb -0.15 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.35 3kt1 s LEU 538 CO -0.08 -0.55 0.60 0.00 -0.29 0.00 0.00 176.35 176.04 3kt1 n LEU 540 N 3.78 2.80 -4.50 0.00 4.77 0.91 -0.76 117.00 124.01 3kt1 n LEU 540 Ca -0.04 -5.11 -0.41 0.00 -0.03 0.00 0.00 56.01 50.43 3kt1 n LEU 540 Cb 0.51 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3kt1 n LEU 540 CO 0.45 2.21 -0.13 -0.89 -1.33 0.00 0.00 177.39 177.70 3kt1 s THR 541 N -3.71 5.17 -0.93 -5.08 2.01 -0.84 -4.34 115.64 107.91 3kt1 s THR 541 Ca 0.43 -0.34 0.26 0.00 0.31 0.00 0.00 61.69 62.35 3kt1 s THR 541 Cb 0.35 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 69.26 3kt1 s THR 541 CO -0.10 -0.06 1.58 -0.81 -0.69 0.00 0.00 174.62 174.54 3kt1 n PRO 542 N 5.09 0.06 -3.23 4.92 -0.04 -1.26 -2.88 135.00 137.66 3kt1 n PRO 542 Ca -0.12 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 3kt1 n PRO 542 Cb 0.49 -1.55 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3kt1 n PRO 542 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kt1 s SER 543 N -3.27 6.08 0.37 3.54 1.04 -1.26 -5.00 113.70 115.20 3kt1 s SER 543 Ca 0.11 0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.90 3kt1 s SER 543 Cb 0.17 -1.76 0.03 0.00 0.10 0.00 0.00 66.02 64.56 3kt1 s SER 543 CO 0.65 -0.47 0.27 0.00 0.98 0.00 0.00 173.24 174.66 3kt1 n ALA 544 N -1.89 0.56 -0.56 5.32 0.00 -1.26 -4.78 120.51 117.90 3kt1 n ALA 544 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.93 3kt1 n ALA 544 Cb 0.57 0.62 0.00 0.00 0.00 0.00 0.00 19.45 20.64 3kt1 n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kt1 n GLY 545 N 0.54 0.84 0.35 0.00 0.00 -1.26 -4.68 105.19 100.98 3kt1 n GLY 545 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 3kt1 n GLY 545 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kt1 h TRP 546 N 0.00 -0.81 -0.22 1.61 4.06 -1.90 0.75 115.95 119.45 3kt1 h TRP 546 Ca 0.00 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 3kt1 h TRP 546 Cb 0.00 0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3kt1 h TRP 546 CO 0.00 -0.49 -0.03 1.49 -3.56 0.00 0.00 178.44 175.85 3kt1 h GLU 547 N -0.83 0.40 -0.11 0.49 4.81 -1.93 -1.37 114.58 116.04 3kt1 h GLU 547 Ca -0.08 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 3kt1 h GLU 547 Cb 0.65 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3kt1 h GLU 547 CO 0.11 0.62 -0.50 0.66 -0.73 0.00 0.00 179.01 179.18 3kt1 h SER 548 N 0.14 0.63 0.16 1.04 4.64 -1.98 -3.04 113.55 115.15 3kt1 h SER 548 Ca 0.06 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3kt1 h SER 548 Cb 0.46 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3kt1 h SER 548 CO 0.02 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 3kt1 n GLY 549 N 0.68 -0.95 3.94 -0.77 0.00 0.25 -4.94 105.19 103.41 3kt1 n GLY 549 Ca -0.08 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3kt1 n GLY 549 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kt1 n GLU 550 N -1.09 -0.56 -0.11 1.61 1.02 -0.97 -4.88 120.64 115.66 3kt1 n GLU 550 Ca 0.18 0.20 0.08 0.00 -0.02 0.00 0.00 57.16 57.60 3kt1 n GLU 550 Cb 0.13 -3.06 0.28 0.00 -0.02 0.00 0.00 31.44 28.77 3kt1 n GLU 550 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kt1 n LEU 551 N -4.77 1.54 0.00 -4.62 4.77 -0.56 -4.94 117.00 108.41 3kt1 n LEU 551 Ca -0.10 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3kt1 n LEU 551 Cb 0.57 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3kt1 n LEU 551 CO 0.72 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3kt1 n GLY 552 N 1.04 -0.02 2.88 -0.72 0.00 -1.26 -1.36 105.19 105.75 3kt1 n GLY 552 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3kt1 n GLY 552 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt1 n GLY 553 N 0.00 0.56 3.77 -0.02 0.00 0.54 -4.67 105.19 105.38 3kt1 n GLY 553 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3kt1 n GLY 553 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kt1 s TYR 554 N -2.55 3.42 -0.13 1.61 1.13 -1.26 -4.09 117.35 115.47 3kt1 s TYR 554 Ca 0.00 1.68 -0.24 0.00 -1.41 0.00 0.00 57.07 57.10 3kt1 s TYR 554 Cb 0.00 -3.17 -0.03 0.00 -1.10 0.00 0.00 41.96 37.66 3kt1 s TYR 554 CO 0.00 -0.54 0.75 -2.00 -2.51 0.00 0.00 175.55 171.25 3kt1 s GLU 555 N -2.06 4.34 -0.14 -3.49 2.12 0.22 -1.54 118.70 118.15 3kt1 s GLU 555 Ca 0.52 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.76 3kt1 s GLU 555 Cb -0.26 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.63 3kt1 s GLU 555 CO 0.32 -0.16 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.56 3kt1 s LEU 556 N 1.57 1.80 -0.09 2.70 1.98 -0.31 -0.68 118.68 125.65 3kt1 s LEU 556 Ca 0.36 -0.50 0.02 0.00 -2.89 0.00 0.00 54.13 51.12 3kt1 s LEU 556 Cb -0.17 -1.22 -0.02 0.00 0.66 0.00 0.00 46.19 45.44 3kt1 s LEU 556 CO 0.15 -0.01 -0.14 -0.31 -1.89 0.00 0.00 176.35 174.15 3kt1 s TYR 557 N 1.24 2.76 0.01 5.38 2.02 -0.29 -1.75 117.35 126.72 3kt1 s TYR 557 Ca 0.00 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.14 3kt1 s TYR 557 Cb -0.14 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3kt1 s TYR 557 CO -0.07 -0.02 0.31 0.00 -1.57 0.00 0.00 175.55 174.20 3kt1 s MET 558 N -0.15 0.72 0.45 -0.62 0.23 0.15 -1.00 119.30 119.08 3kt1 s MET 558 Ca -0.01 -0.30 -0.21 0.00 -1.03 0.00 0.00 55.69 54.14 3kt1 s MET 558 Cb -0.13 0.32 -0.09 0.00 -1.53 0.00 0.00 34.83 33.39 3kt1 s MET 558 CO 0.03 -0.21 1.01 -1.64 -2.03 0.00 0.00 175.02 172.18 3kt1 s MET 559 N -1.76 4.02 0.00 3.16 -1.94 0.11 0.34 119.30 123.23 3kt1 s MET 559 Ca -0.10 1.31 0.00 0.00 -1.71 0.00 0.00 55.69 55.18 3kt1 s MET 559 Cb -0.04 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.59 3kt1 s MET 559 CO 0.02 -0.24 0.01 -0.25 -0.01 0.00 0.00 175.02 174.55 3kt1 n ASP 560 N -0.67 0.00 -4.68 3.03 8.00 -0.98 -4.87 116.55 116.38 3kt1 n ASP 560 Ca 0.08 0.00 -0.61 0.00 0.71 0.00 0.00 54.79 54.97 3kt1 n ASP 560 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 3kt1 n ASP 560 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kt1 n ASP 586 N -0.27 1.91 -0.33 -2.24 4.64 -1.26 -5.18 116.55 113.83 3kt1 n ASP 586 Ca 0.00 1.05 0.15 0.00 -1.38 0.00 0.00 54.79 54.61 3kt1 n ASP 586 Cb 0.00 -1.05 0.65 0.00 -1.04 0.00 0.00 41.12 39.68 3kt1 n ASP 586 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3kt1 n SER 587 N 5.33 1.03 -4.65 1.67 3.41 -1.26 -4.89 113.62 114.26 3kt1 n SER 587 Ca 0.30 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 3kt1 n SER 587 Cb 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 3kt1 n SER 587 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kt1 s VAL 588 N -2.02 4.82 -0.18 -3.33 1.01 -1.26 0.06 120.40 119.50 3kt1 s VAL 588 Ca 0.40 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.77 3kt1 s VAL 588 Cb 0.21 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 32.23 3kt1 s VAL 588 CO 0.35 -0.08 0.43 -0.07 0.00 0.00 0.00 175.10 175.73 3kt1 h LEU 589 N 9.17 0.01 -7.85 3.92 3.38 -1.41 -3.48 115.31 119.05 3kt1 h LEU 589 Ca -0.23 -0.70 -0.39 0.00 0.09 0.00 0.00 57.88 56.65 3kt1 h LEU 589 Cb 1.09 -0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.52 3kt1 h LEU 589 CO 0.88 1.31 -0.77 -0.63 0.09 0.00 0.00 178.44 179.33 3kt1 s ILE 590 N -2.31 0.58 -0.36 1.22 -1.09 -1.07 -4.99 121.20 113.17 3kt1 s ILE 590 Ca -0.25 -0.22 -0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3kt1 s ILE 590 Cb 0.03 -0.55 0.12 0.00 -1.58 0.00 0.00 42.46 40.48 3kt1 s ILE 590 CO 0.63 0.21 0.18 0.21 -1.23 0.00 0.00 174.94 174.94 3kt1 s ASN 591 N 0.45 3.49 -0.33 3.58 3.84 -1.26 -1.13 114.94 123.58 3kt1 s ASN 591 Ca -0.06 -2.09 -0.02 0.00 0.21 0.00 0.00 52.86 50.90 3kt1 s ASN 591 Cb -0.10 -0.70 0.07 0.00 -0.55 0.00 0.00 41.25 39.97 3kt1 s ASN 591 CO 0.00 -0.34 0.06 -1.81 -2.79 0.00 0.00 177.10 172.22 3kt1 s ASP 592 N 1.09 4.98 0.63 -4.21 1.11 0.14 -4.95 116.67 115.47 3kt1 s ASP 592 Ca 0.15 -1.55 -0.19 0.00 0.18 0.00 0.00 52.55 51.15 3kt1 s ASP 592 Cb -0.21 -1.74 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 3kt1 s ASP 592 CO -0.10 -0.35 1.30 -2.84 1.18 0.00 0.00 175.17 174.37 3kt1 s PRO 593 N 1.19 2.64 0.36 8.23 0.02 -1.26 -0.61 135.00 145.58 3kt1 s PRO 593 Ca -0.00 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 62.81 3kt1 s PRO 593 Cb -0.20 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.31 3kt1 s PRO 593 CO -0.02 -1.53 1.52 -2.14 -0.33 0.00 0.00 177.00 174.49 3kt1 s PRO 594 N -3.32 4.10 0.33 5.54 0.02 -1.26 -4.86 135.00 135.55 3kt1 s PRO 594 Ca 0.81 2.59 0.07 0.00 0.02 0.00 0.00 61.00 64.48 3kt1 s PRO 594 Cb -0.38 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 3kt1 s PRO 594 CO 0.40 -0.57 0.30 0.00 -0.33 0.00 0.00 177.00 176.81 3kt1 n ALA 595 N 0.82 0.59 -2.65 -1.55 0.00 -1.26 -4.89 120.51 111.56 3kt1 n ALA 595 Ca 0.03 -1.89 -0.38 0.00 0.00 0.00 0.00 53.44 51.19 3kt1 n ALA 595 Cb 0.39 1.53 -0.08 0.00 0.00 0.00 0.00 19.45 21.29 3kt1 n ALA 595 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kt1 s TRP 596 N -3.29 3.34 -1.12 0.00 -0.11 -1.14 -1.99 118.94 114.64 3kt1 s TRP 596 Ca 0.38 0.56 -0.04 0.00 1.22 0.00 0.00 56.10 58.23 3kt1 s TRP 596 Cb 0.02 -2.53 0.00 0.00 -1.50 0.00 0.00 33.47 29.46 3kt1 s TRP 596 CO 0.27 -0.06 0.95 -1.71 -4.62 0.00 0.00 176.95 171.78 3kt1 n ASN 597 N 4.69 -3.99 -4.82 5.86 4.05 0.06 -4.68 115.26 116.43 3kt1 n ASN 597 Ca -0.08 -0.50 -0.27 0.00 0.45 0.00 0.00 54.58 54.18 3kt1 n ASN 597 Cb 0.51 -4.49 -0.05 0.00 1.23 0.00 0.00 39.78 36.98 3kt1 n ASN 597 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3kt1 s THR 598 N -3.30 4.64 -0.14 -0.44 -4.23 -1.14 -1.58 115.64 109.44 3kt1 s THR 598 Ca 0.26 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3kt1 s THR 598 Cb -0.12 -3.36 0.04 0.00 1.34 0.00 0.00 72.50 70.41 3kt1 s THR 598 CO 0.63 -0.08 -0.03 0.12 -0.54 0.00 0.00 174.62 174.73 3kt1 s PHE 599 N -1.71 1.31 -0.14 3.99 5.36 0.29 -0.93 117.98 126.15 3kt1 s PHE 599 Ca 0.31 -0.80 -0.08 0.00 -0.96 0.00 0.00 56.93 55.41 3kt1 s PHE 599 Cb -0.10 -1.13 -0.04 0.00 -0.34 0.00 0.00 43.02 41.40 3kt1 s PHE 599 CO 0.24 -0.54 0.13 -0.80 -1.46 0.00 0.00 175.22 172.79 3kt1 s ASN 600 N 1.76 6.29 -0.11 6.13 0.01 -0.07 -0.68 114.94 128.27 3kt1 s ASN 600 Ca 0.02 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.57 3kt1 s ASN 600 Cb -0.15 -2.05 0.02 0.00 0.41 0.00 0.00 41.25 39.48 3kt1 s ASN 600 CO -0.07 0.35 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.54 3kt1 s LEU 601 N -0.66 1.46 -0.07 0.60 0.20 0.55 -0.57 118.68 120.18 3kt1 s LEU 601 Ca 0.13 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 54.61 3kt1 s LEU 601 Cb -0.12 -0.93 0.02 0.00 -0.43 0.00 0.00 46.19 44.73 3kt1 s LEU 601 CO 0.02 -0.05 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.26 3kt1 s VAL 602 N 1.31 0.92 -0.52 1.68 1.01 -0.11 -0.04 120.40 124.66 3kt1 s VAL 602 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 3kt1 s VAL 602 Cb -0.14 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.39 3kt1 s VAL 602 CO -0.05 0.32 0.81 -0.22 0.00 0.00 0.00 175.10 175.96 3kt1 s LEU 603 N 1.06 4.43 -0.24 3.92 2.96 -0.88 -0.65 118.68 129.28 3kt1 s LEU 603 Ca -0.08 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 3kt1 s LEU 603 Cb -0.14 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 3kt1 s LEU 603 CO -0.01 -1.07 0.31 -0.13 -1.32 0.00 0.00 176.35 174.14 3kt1 s ARG 604 N 3.39 4.09 0.91 1.98 0.52 0.33 -4.93 118.95 125.24 3kt1 s ARG 604 Ca 0.25 -0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.33 3kt1 s ARG 604 Cb -0.15 -3.58 0.19 0.00 0.52 0.00 0.00 34.95 31.93 3kt1 s ARG 604 CO 0.17 -0.09 1.24 0.16 0.02 0.00 0.00 175.30 176.80 3kt1 s ASP 605 N 1.26 3.35 0.63 0.23 1.47 -1.26 -0.92 116.67 121.43 3kt1 s ASP 605 Ca 0.14 0.02 0.32 0.00 1.18 0.00 0.00 52.55 54.21 3kt1 s ASP 605 Cb -0.15 -0.11 1.75 0.00 -0.34 0.00 0.00 42.92 44.08 3kt1 s ASP 605 CO 0.08 -2.56 2.05 1.05 0.68 0.00 0.00 175.17 176.47 3kt1 h GLU 606 N -1.37 0.00 -0.71 2.11 4.11 -1.95 -2.68 114.58 114.09 3kt1 h GLU 606 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 3kt1 h GLU 606 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kt1 h GLU 606 CO 0.36 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.31 3kt1 n SER 607 N -3.33 3.92 -4.68 3.06 3.41 -1.26 -4.72 113.62 110.01 3kt1 n SER 607 Ca 0.00 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.24 3kt1 n SER 607 Cb 0.35 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3kt1 n SER 607 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kt1 s VAL 608 N -1.02 5.27 -0.01 -3.33 1.01 -1.01 -2.33 120.40 118.99 3kt1 s VAL 608 Ca 0.48 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 3kt1 s VAL 608 Cb 0.25 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3kt1 s VAL 608 CO 0.33 0.31 0.15 -0.76 0.00 0.00 0.00 175.10 175.13 3kt1 s LEU 609 N 1.01 4.22 0.01 3.92 1.43 0.15 -4.27 118.68 125.16 3kt1 s LEU 609 Ca 0.15 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3kt1 s LEU 609 Cb -0.14 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 3kt1 s LEU 609 CO 0.06 0.27 -0.03 -0.70 0.23 0.00 0.00 176.35 176.18 3kt1 s GLU 610 N -1.88 0.22 0.21 1.70 -6.30 -0.60 -0.67 118.70 111.38 3kt1 s GLU 610 Ca 0.26 -0.33 -0.18 0.00 -2.50 0.00 0.00 54.97 52.22 3kt1 s GLU 610 Cb -0.12 -0.04 0.03 0.00 0.00 0.00 0.00 34.13 33.99 3kt1 s GLU 610 CO 0.17 0.00 0.56 -0.59 0.02 0.00 0.00 175.26 175.43 3kt1 s PHE 611 N -0.70 -0.13 -0.15 5.30 -0.71 -0.72 -1.83 117.98 119.04 3kt1 s PHE 611 Ca -0.07 -0.22 -0.00 0.00 -1.04 0.00 0.00 56.93 55.60 3kt1 s PHE 611 Cb -0.05 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 3kt1 s PHE 611 CO -0.00 -0.98 -0.14 0.14 -1.34 0.00 0.00 175.22 172.90 3kt1 s VAL 612 N -3.88 2.80 0.32 -2.49 -7.23 -1.26 -1.16 120.40 107.51 3kt1 s VAL 612 Ca 0.10 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 59.25 3kt1 s VAL 612 Cb -0.02 -2.19 -0.11 0.00 0.56 0.00 0.00 36.38 34.63 3kt1 s VAL 612 CO -0.01 0.51 1.44 -0.75 -0.31 0.00 0.00 175.10 175.98 3kt1 s LYS 613 N 0.74 4.22 0.02 4.82 2.47 -0.59 -1.66 119.74 129.77 3kt1 s LYS 613 Ca -0.06 2.40 -0.28 0.00 -1.56 0.00 0.00 55.97 56.47 3kt1 s LYS 613 Cb -0.15 -3.04 -0.14 0.00 -1.46 0.00 0.00 37.83 33.03 3kt1 s LYS 613 CO 0.01 -0.42 0.72 0.98 0.16 0.00 0.00 175.35 176.81 3kt1 n TYR 614 N 1.28 0.34 -3.21 4.03 9.36 -1.26 -0.34 117.16 127.36 3kt1 n TYR 614 Ca 0.03 0.77 -0.40 0.00 3.32 0.00 0.00 57.90 61.62 3kt1 n TYR 614 Cb 0.40 -1.53 -0.07 0.00 -0.63 0.00 0.00 39.34 37.51 3kt1 n TYR 614 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3kt1 s VAL 615 N -0.12 5.05 0.53 2.97 1.01 -0.41 -3.08 120.40 126.35 3kt1 s VAL 615 Ca 0.64 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 3kt1 s VAL 615 Cb -0.90 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 3kt1 s VAL 615 CO 0.42 0.05 1.30 -0.55 0.00 0.00 0.00 175.10 176.32 3kt1 s SER 616 N 1.55 5.47 0.58 3.32 0.15 -0.46 0.65 113.70 124.95 3kt1 s SER 616 Ca 0.22 2.63 0.28 0.00 0.70 0.00 0.00 55.95 59.78 3kt1 s SER 616 Cb -0.16 -2.63 1.49 0.00 -1.71 0.00 0.00 66.02 63.02 3kt1 s SER 616 CO 0.09 -1.43 1.94 -0.50 1.20 0.00 0.00 173.24 174.55 3kt1 h TRP 617 N 1.55 0.00 0.00 3.44 4.06 -1.90 -1.75 115.95 121.35 3kt1 h TRP 617 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 3kt1 h TRP 617 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.45 3kt1 h TRP 617 CO 0.48 0.00 0.00 0.43 -3.56 0.00 0.00 178.44 175.79 3kt1 n SER 618 N -3.88 0.77 -4.74 -3.49 7.64 -1.26 -4.82 113.62 103.83 3kt1 n SER 618 Ca 0.08 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.15 3kt1 n SER 618 Cb 0.63 -0.80 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 3kt1 n SER 618 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kt1 n ALA 619 N -1.78 2.07 1.17 -0.43 0.00 -0.66 -4.90 120.51 115.98 3kt1 n ALA 619 Ca 0.04 0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.98 3kt1 n ALA 619 Cb 0.36 -2.38 0.63 0.00 0.00 0.00 0.00 19.45 18.06 3kt1 n ALA 619 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kt1 n LYS 620 N 1.04 0.19 -3.91 0.00 4.01 -1.26 -4.87 118.16 113.36 3kt1 n LYS 620 Ca 0.05 -0.02 -0.08 0.00 -0.51 0.00 0.00 58.31 57.75 3kt1 n LYS 620 Cb 0.37 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.36 3kt1 n LYS 620 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3kt1 s SER 621 N -2.82 -0.19 0.82 4.39 1.04 -1.26 -4.97 113.70 110.71 3kt1 s SER 621 Ca 0.19 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 3kt1 s SER 621 Cb 0.19 0.68 0.09 0.00 0.10 0.00 0.00 66.02 67.08 3kt1 s SER 621 CO 0.52 -1.28 1.09 -0.44 0.98 0.00 0.00 173.24 174.11 3kt1 s SER 622 N -2.96 4.07 -0.32 7.02 0.01 -1.26 -4.67 113.70 115.59 3kt1 s SER 622 Ca 0.15 1.74 -0.24 0.00 1.31 0.00 0.00 55.95 58.91 3kt1 s SER 622 Cb -0.04 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.78 3kt1 s SER 622 CO 0.08 -2.30 0.85 -0.60 0.41 0.00 0.00 173.24 171.67 3kt1 s ARG 623 N -4.89 3.94 -0.14 12.44 3.52 -0.70 -4.73 118.95 128.39 3kt1 s ARG 623 Ca 0.62 0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 56.81 3kt1 s ARG 623 Cb -0.18 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.43 3kt1 s ARG 623 CO 0.56 -0.76 -0.01 -1.58 -0.81 0.00 0.00 175.30 172.71 3kt1 s TRP 624 N 3.13 3.11 0.29 5.12 0.52 -1.26 -0.25 118.94 129.60 3kt1 s TRP 624 Ca 0.35 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 56.30 3kt1 s TRP 624 Cb -0.13 -1.92 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 3kt1 s TRP 624 CO 0.14 0.17 0.53 0.16 0.02 0.00 0.00 176.95 177.97 3kt1 s ASP 625 N -0.07 0.20 -0.16 2.95 1.47 -0.69 -0.06 116.67 120.30 3kt1 s ASP 625 Ca 0.03 -1.11 0.01 0.00 1.18 0.00 0.00 52.55 52.67 3kt1 s ASP 625 Cb -0.13 0.65 0.02 0.00 -0.34 0.00 0.00 42.92 43.12 3kt1 s ASP 625 CO 0.02 -1.27 -0.20 -0.69 0.68 0.00 0.00 175.17 173.71 3kt1 s VAL 626 N -3.50 2.01 -0.17 2.11 1.01 -0.19 -0.51 120.40 121.16 3kt1 s VAL 626 Ca 0.23 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 3kt1 s VAL 626 Cb -0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3kt1 s VAL 626 CO 0.12 0.53 0.08 -0.75 0.00 0.00 0.00 175.10 175.09 3kt1 s LYS 627 N 1.14 3.91 -0.03 2.72 2.47 0.70 -1.13 119.74 129.52 3kt1 s LYS 627 Ca 0.01 -0.30 0.03 0.00 -1.56 0.00 0.00 55.97 54.15 3kt1 s LYS 627 Cb -0.14 -3.23 0.00 0.00 -1.46 0.00 0.00 37.83 33.00 3kt1 s LYS 627 CO -0.09 0.36 -0.10 -1.64 0.16 0.00 0.00 175.35 174.04 3kt1 s MET 628 N 0.13 1.05 -0.02 4.03 -1.94 0.07 -0.60 119.30 122.01 3kt1 s MET 628 Ca 0.06 -0.34 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 3kt1 s MET 628 Cb -0.12 -0.97 0.02 0.00 2.01 0.00 0.00 34.83 35.77 3kt1 s MET 628 CO 0.00 0.13 -0.01 0.15 -0.01 0.00 0.00 175.02 175.29 3kt1 s LYS 629 N 0.15 0.32 -0.02 2.03 1.02 -0.25 0.37 119.74 123.37 3kt1 s LYS 629 Ca -0.03 0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.00 3kt1 s LYS 629 Cb -0.09 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 3kt1 s LYS 629 CO 0.01 -0.08 -0.07 -1.58 -0.92 0.00 0.00 175.35 172.70 3kt1 s TRP 630 N 0.75 0.71 0.34 3.18 0.51 0.27 -0.52 118.94 124.18 3kt1 s TRP 630 Ca -0.08 -0.15 -0.26 0.00 -2.12 0.00 0.00 56.10 53.49 3kt1 s TRP 630 Cb -0.11 -0.50 -0.10 0.00 -0.81 0.00 0.00 33.47 31.95 3kt1 s TRP 630 CO -0.01 -0.06 0.98 -0.51 -0.51 0.00 0.00 176.95 176.85 3kt1 s ASP 631 N 0.09 7.17 0.04 2.95 1.11 -1.24 -1.23 116.67 125.55 3kt1 s ASP 631 Ca -0.01 1.92 0.02 0.00 0.18 0.00 0.00 52.55 54.66 3kt1 s ASP 631 Cb -0.06 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 3kt1 s ASP 631 CO -0.00 -0.19 -0.07 0.68 1.18 0.00 0.00 175.17 176.76 3kt1 s VAL 632 N -1.60 0.52 0.27 -1.27 -7.23 -1.26 -0.41 120.40 109.41 3kt1 s VAL 632 Ca 0.52 -0.96 0.11 0.00 -1.81 0.00 0.00 61.98 59.84 3kt1 s VAL 632 Cb -0.20 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 3kt1 s VAL 632 CO 0.26 -0.31 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.05 3kt1 s LYS 633 N -1.37 2.02 0.18 4.82 -2.85 0.02 -1.14 119.74 121.41 3kt1 s LYS 633 Ca -0.08 -1.55 -0.02 0.00 -1.00 0.00 0.00 55.97 53.32 3kt1 s LYS 633 Cb -0.09 -2.00 0.05 0.00 -2.06 0.00 0.00 37.83 33.74 3kt1 s LYS 633 CO 0.00 0.36 1.43 0.66 0.10 0.00 0.00 175.35 177.90 3kt1 h SER 634 N 2.13 0.49 0.00 0.03 4.64 -1.84 0.26 113.55 119.25 3kt1 h SER 634 Ca -0.43 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 3kt1 h SER 634 Cb 1.25 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kt1 h SER 634 CO 0.60 1.06 0.00 0.00 -0.87 0.00 0.00 176.83 177.62