#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn0 n SER 59 N 0.00 3.41 -2.80 1.61 7.64 -1.26 -4.48 113.62 117.74 3kn0 n SER 59 Ca 0.00 -1.99 -0.20 0.00 1.01 0.00 0.00 58.87 57.69 3kn0 n SER 59 Cb 0.00 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 62.95 3kn0 n SER 59 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kn0 n PHE 60 N 1.46 2.24 0.17 1.43 3.01 -1.26 -4.92 117.46 119.59 3kn0 n PHE 60 Ca 0.19 -3.41 0.18 0.00 1.01 0.00 0.00 57.45 55.42 3kn0 n PHE 60 Cb 0.60 -0.33 0.79 0.00 -0.01 0.00 0.00 39.48 40.53 3kn0 n PHE 60 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3kn0 h VAL 61 N 2.42 0.50 0.00 -4.37 2.07 -1.96 -1.22 116.25 113.68 3kn0 h VAL 61 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3kn0 h VAL 61 Cb 0.90 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3kn0 h VAL 61 CO 0.67 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 178.18 3kn0 h GLU 62 N 0.00 0.00 0.00 1.57 4.81 -1.96 -3.14 114.58 115.86 3kn0 h GLU 62 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kn0 h GLU 62 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3kn0 h GLU 62 CO -0.00 0.00 -0.99 -1.33 -0.73 0.00 0.00 179.01 175.96 3kn0 n MET 63 N -2.87 1.76 -1.92 1.92 2.81 -0.49 -4.37 117.12 113.96 3kn0 n MET 63 Ca 0.02 -0.04 -0.41 0.00 -1.81 0.00 0.00 57.70 55.45 3kn0 n MET 63 Cb 0.36 -1.22 -0.02 0.00 -0.71 0.00 0.00 33.22 31.63 3kn0 n MET 63 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kn0 s VAL 64 N -2.54 2.41 -1.17 2.03 1.01 -1.01 -2.64 120.40 118.48 3kn0 s VAL 64 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3kn0 s VAL 64 Cb 0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3kn0 s VAL 64 CO 0.58 0.06 0.00 0.47 0.00 0.00 0.00 175.10 176.21 3kn0 n ASP 65 N 2.12 -4.18 -0.38 3.32 10.43 -1.20 -4.91 116.55 121.75 3kn0 n ASP 65 Ca 0.07 0.13 0.12 0.00 2.57 0.00 0.00 54.79 57.68 3kn0 n ASP 65 Cb 0.39 -3.10 0.52 0.00 1.84 0.00 0.00 41.12 40.76 3kn0 n ASP 65 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3kn0 n ASN 66 N -0.20 1.16 -4.75 -2.24 6.94 -0.99 -4.82 115.26 110.36 3kn0 n ASN 66 Ca -0.14 -1.51 -0.28 0.00 -0.02 0.00 0.00 54.58 52.63 3kn0 n ASN 66 Cb 0.52 -0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.83 3kn0 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kn0 s LEU 67 N -1.76 3.67 0.06 -4.53 1.43 -0.32 -4.39 118.68 112.84 3kn0 s LEU 67 Ca 0.35 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3kn0 s LEU 67 Cb 0.18 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3kn0 s LEU 67 CO 0.29 0.11 -0.04 -0.13 0.23 0.00 0.00 176.35 176.80 3kn0 s ARG 68 N -2.82 0.66 0.00 1.70 0.52 -0.81 -0.08 118.95 118.12 3kn0 s ARG 68 Ca 0.29 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 3kn0 s ARG 68 Cb -0.11 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.40 3kn0 s ARG 68 CO 0.22 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.88 3kn0 n GLY 69 N 0.25 0.63 3.60 -3.53 0.00 -1.26 -0.45 105.19 104.43 3kn0 n GLY 69 Ca -0.15 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 3kn0 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kn0 s LYS 70 N -0.77 1.48 0.40 1.61 -2.85 -1.06 -4.75 119.74 113.81 3kn0 s LYS 70 Ca 0.00 -0.78 0.11 0.00 -1.00 0.00 0.00 55.97 54.30 3kn0 s LYS 70 Cb 0.00 0.57 0.91 0.00 -2.06 0.00 0.00 37.83 37.25 3kn0 s LYS 70 CO 0.00 -0.65 1.95 0.66 0.10 0.00 0.00 175.35 177.41 3kn0 h SER 71 N 2.07 0.51 0.56 0.03 4.64 -1.93 0.24 113.55 119.67 3kn0 h SER 71 Ca -0.27 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.95 3kn0 h SER 71 Cb 1.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3kn0 h SER 71 CO 0.33 0.30 -0.53 1.23 -0.87 0.00 0.00 176.83 177.29 3kn0 h GLY 72 N 0.56 0.00 -0.01 -0.77 0.00 -1.96 -3.35 103.07 97.55 3kn0 h GLY 72 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3kn0 h GLY 72 CO -0.11 0.00 -0.01 -1.06 0.00 0.00 0.00 176.54 175.37 3kn0 n GLN 73 N -3.86 4.24 0.00 4.80 6.02 -1.04 -4.93 117.38 122.61 3kn0 n GLN 73 Ca -0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 3kn0 n GLN 73 Cb 0.55 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.13 3kn0 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kn0 n GLY 74 N 0.66 2.39 3.60 1.08 0.00 0.82 -4.92 105.19 108.81 3kn0 n GLY 74 Ca 0.00 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3kn0 n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kn0 s TYR 75 N -2.91 3.13 0.16 1.61 1.51 -1.26 -2.55 117.35 117.04 3kn0 s TYR 75 Ca 0.00 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.10 3kn0 s TYR 75 Cb 0.00 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3kn0 s TYR 75 CO 0.00 0.18 -0.16 1.52 -1.11 0.00 0.00 175.55 175.98 3kn0 s TYR 76 N -0.03 1.64 0.11 2.71 -0.85 0.40 -0.98 117.35 120.36 3kn0 s TYR 76 Ca 0.03 -0.53 0.10 0.00 -0.52 0.00 0.00 57.07 56.15 3kn0 s TYR 76 Cb -0.13 -0.82 -0.04 0.00 0.38 0.00 0.00 41.96 41.36 3kn0 s TYR 76 CO 0.02 0.27 -0.25 0.54 -1.52 0.00 0.00 175.55 174.61 3kn0 s VAL 77 N -2.36 2.08 0.18 -3.49 0.11 -0.23 -1.93 120.40 114.76 3kn0 s VAL 77 Ca 0.15 -1.65 -0.29 0.00 -2.93 0.00 0.00 61.98 57.26 3kn0 s VAL 77 Cb -0.04 -1.85 -0.08 0.00 -1.53 0.00 0.00 36.38 32.89 3kn0 s VAL 77 CO 0.05 0.08 0.91 -0.70 -3.33 0.00 0.00 175.10 172.11 3kn0 s GLU 78 N -1.92 4.74 0.08 1.54 2.12 -1.26 -0.74 118.70 123.26 3kn0 s GLU 78 Ca 0.12 1.39 -0.01 0.00 0.36 0.00 0.00 54.97 56.83 3kn0 s GLU 78 Cb -0.10 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 3kn0 s GLU 78 CO 0.05 0.43 -0.01 -1.64 -0.54 0.00 0.00 175.26 173.55 3kn0 s MET 79 N -0.76 0.74 0.03 4.30 -1.94 -0.19 -4.06 119.30 117.42 3kn0 s MET 79 Ca 0.42 -1.31 0.07 0.00 -1.71 0.00 0.00 55.69 53.16 3kn0 s MET 79 Cb -0.24 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.73 3kn0 s MET 79 CO 0.30 -0.15 -0.20 0.95 -0.01 0.00 0.00 175.02 175.91 3kn0 s THR 80 N -3.92 1.60 0.00 2.05 -4.23 -0.37 -1.00 115.64 109.77 3kn0 s THR 80 Ca 0.13 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3kn0 s THR 80 Cb 0.08 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.53 3kn0 s THR 80 CO -0.05 0.25 -0.11 0.68 -0.54 0.00 0.00 174.62 174.84 3kn0 s VAL 81 N -0.71 0.89 0.00 2.29 -7.23 -0.28 -1.78 120.40 113.58 3kn0 s VAL 81 Ca 0.07 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 3kn0 s VAL 81 Cb -0.08 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.09 3kn0 s VAL 81 CO 0.01 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 3kn0 n GLY 82 N 2.62 -0.68 2.77 2.32 0.00 -0.41 -0.62 105.19 111.19 3kn0 n GLY 82 Ca -0.15 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 3kn0 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn0 s SER 83 N -1.97 2.32 0.75 1.61 0.01 -1.26 -2.65 113.70 112.52 3kn0 s SER 83 Ca 0.00 -0.48 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 3kn0 s SER 83 Cb 0.00 -0.56 0.05 0.00 0.21 0.00 0.00 66.02 65.72 3kn0 s SER 83 CO 0.00 -0.24 1.12 -2.16 0.41 0.00 0.00 173.24 172.37 3kn0 s PRO 84 N 1.89 2.23 0.18 12.44 0.04 -1.26 -1.00 135.00 149.51 3kn0 s PRO 84 Ca 0.02 1.37 -0.33 0.00 0.04 0.00 0.00 61.00 62.09 3kn0 s PRO 84 Cb -0.15 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 3kn0 s PRO 84 CO -0.07 -1.69 1.59 -0.35 0.04 0.00 0.00 177.00 176.52 3kn0 n PRO 85 N -3.18 2.27 -3.77 0.56 -0.04 -1.08 -4.90 135.00 124.85 3kn0 n PRO 85 Ca 0.10 0.82 -0.37 0.00 -0.04 0.00 0.00 63.50 64.01 3kn0 n PRO 85 Cb 0.52 -2.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.26 3kn0 n PRO 85 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3kn0 s GLN 86 N 0.79 3.33 0.10 0.54 -0.21 0.21 -4.89 119.66 119.54 3kn0 s GLN 86 Ca 0.77 -0.69 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 3kn0 s GLN 86 Cb -0.64 -3.31 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 3kn0 s GLN 86 CO 0.38 -0.32 0.96 0.99 -2.12 0.00 0.00 175.29 175.18 3kn0 s THR 87 N 1.54 4.55 0.01 -0.19 2.01 -1.26 -1.12 115.64 121.17 3kn0 s THR 87 Ca 0.04 2.07 -0.06 0.00 0.31 0.00 0.00 61.69 64.05 3kn0 s THR 87 Cb -0.16 -4.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.03 3kn0 s THR 87 CO 0.02 0.30 0.11 -0.76 -0.69 0.00 0.00 174.62 173.60 3kn0 s LEU 88 N 0.14 1.67 -0.16 4.42 1.43 -0.17 -4.95 118.68 121.06 3kn0 s LEU 88 Ca 0.48 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 3kn0 s LEU 88 Cb -0.23 0.57 -0.04 0.00 0.03 0.00 0.00 46.19 46.52 3kn0 s LEU 88 CO 0.30 -0.35 0.37 0.20 0.23 0.00 0.00 176.35 177.09 3kn0 s ASN 89 N -1.38 6.51 -0.12 2.29 0.01 -1.26 -1.02 114.94 119.97 3kn0 s ASN 89 Ca -0.15 0.60 0.02 0.00 -0.71 0.00 0.00 52.86 52.62 3kn0 s ASN 89 Cb -0.08 -2.22 0.01 0.00 0.41 0.00 0.00 41.25 39.37 3kn0 s ASN 89 CO 0.01 0.03 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.84 3kn0 s ILE 90 N 0.72 1.61 0.15 0.60 -1.09 0.08 0.02 121.20 123.28 3kn0 s ILE 90 Ca 0.20 -0.70 -0.31 0.00 -2.23 0.00 0.00 60.65 57.60 3kn0 s ILE 90 Cb -0.14 -1.46 -0.10 0.00 -1.58 0.00 0.00 42.46 39.18 3kn0 s ILE 90 CO 0.07 0.46 1.66 -0.22 -1.23 0.00 0.00 174.94 175.68 3kn0 s LEU 91 N 1.01 4.37 -0.36 2.97 2.96 0.25 -1.07 118.68 128.81 3kn0 s LEU 91 Ca -0.05 2.68 -0.24 0.00 -0.22 0.00 0.00 54.13 56.29 3kn0 s LEU 91 Cb -0.15 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.97 3kn0 s LEU 91 CO -0.03 -0.90 0.85 -0.69 -1.32 0.00 0.00 176.35 174.26 3kn0 s VAL 92 N 1.67 4.67 -0.26 1.68 1.01 -0.15 0.22 120.40 129.24 3kn0 s VAL 92 Ca 0.74 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3kn0 s VAL 92 Cb -0.45 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 31.74 3kn0 s VAL 92 CO 0.32 -0.47 0.00 -0.62 0.00 0.00 0.00 175.10 174.34 3kn0 s ASP 93 N 1.85 3.87 0.00 3.32 2.15 -0.58 -4.31 116.67 122.97 3kn0 s ASP 93 Ca 0.34 -1.35 0.26 0.00 0.43 0.00 0.00 52.55 52.24 3kn0 s ASP 93 Cb -0.13 -1.08 1.43 0.00 -0.30 0.00 0.00 42.92 42.84 3kn0 s ASP 93 CO 0.17 -0.30 1.93 0.35 -0.17 0.00 0.00 175.17 177.16 3kn0 n THR 94 N 4.71 0.02 0.39 1.71 -2.24 -1.26 -1.00 114.28 116.61 3kn0 n THR 94 Ca -0.07 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 3kn0 n THR 94 Cb 0.44 -0.22 0.23 0.00 -2.10 0.00 0.00 70.33 68.68 3kn0 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kn0 n GLY 95 N 0.97 1.61 3.45 3.38 0.00 -1.26 -4.21 105.19 109.13 3kn0 n GLY 95 Ca 0.19 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 3kn0 n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kn0 s SER 96 N -1.49 0.85 -0.01 1.61 1.04 -1.23 -4.98 113.70 109.49 3kn0 s SER 96 Ca 0.38 -1.46 0.02 0.00 0.48 0.00 0.00 55.95 55.37 3kn0 s SER 96 Cb 0.22 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.99 3kn0 s SER 96 CO 0.31 -1.21 0.77 -1.20 0.98 0.00 0.00 173.24 172.89 3kn0 n SER 97 N -1.23 0.70 -4.65 7.02 7.64 -1.26 -0.72 113.62 121.12 3kn0 n SER 97 Ca 0.02 -1.60 -0.35 0.00 1.01 0.00 0.00 58.87 57.95 3kn0 n SER 97 Cb 0.62 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 3kn0 n SER 97 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kn0 s ASN 98 N -0.67 5.06 -0.34 6.43 -0.87 -1.26 -4.49 114.94 118.80 3kn0 s ASN 98 Ca 0.03 0.09 -0.15 0.00 -1.57 0.00 0.00 52.86 51.26 3kn0 s ASN 98 Cb 0.02 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.25 39.85 3kn0 s ASN 98 CO 0.00 0.37 0.36 0.12 -2.57 0.00 0.00 177.10 175.38 3kn0 s PHE 99 N -0.85 3.21 -0.02 2.20 5.99 -1.26 -1.41 117.98 125.85 3kn0 s PHE 99 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 56.93 57.04 3kn0 s PHE 99 Cb -0.11 -2.66 0.01 0.00 0.00 0.00 0.00 43.02 40.26 3kn0 s PHE 99 CO 0.02 -0.42 -0.02 0.00 -0.00 0.00 0.00 175.22 174.80 3kn0 s ALA 100 N 2.01 0.32 0.03 11.12 0.00 -0.64 -1.35 121.76 133.25 3kn0 s ALA 100 Ca 0.12 -0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.12 3kn0 s ALA 100 Cb -0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3kn0 s ALA 100 CO 0.12 0.01 -0.14 0.14 0.00 0.00 0.00 175.76 175.88 3kn0 s VAL 101 N 0.45 1.10 0.26 0.00 -7.23 -0.39 -0.06 120.40 114.52 3kn0 s VAL 101 Ca -0.04 -0.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 3kn0 s VAL 101 Cb -0.07 -0.99 -0.13 0.00 0.56 0.00 0.00 36.38 35.75 3kn0 s VAL 101 CO -0.01 0.03 1.48 0.61 -0.31 0.00 0.00 175.10 176.90 3kn0 n GLY 102 N 1.98 0.98 0.16 2.32 0.00 0.54 -0.26 105.19 110.91 3kn0 n GLY 102 Ca -0.18 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.35 3kn0 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kn0 n ALA 103 N 2.00 1.76 -3.40 4.61 0.00 0.34 -0.86 120.51 124.96 3kn0 n ALA 103 Ca 0.10 -1.19 -0.16 0.00 0.00 0.00 0.00 53.44 52.20 3kn0 n ALA 103 Cb 0.33 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 3kn0 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kn0 s ALA 104 N -0.80 -1.31 0.19 0.00 0.00 -1.20 -4.76 121.76 113.87 3kn0 s ALA 104 Ca 0.07 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 3kn0 s ALA 104 Cb 0.06 -0.07 -0.16 0.00 0.00 0.00 0.00 23.12 22.95 3kn0 s ALA 104 CO 0.01 -0.31 0.96 -2.30 0.00 0.00 0.00 175.76 174.12 3kn0 n PRO 105 N 1.28 0.83 -3.77 0.00 -0.02 -1.26 -4.96 135.00 127.09 3kn0 n PRO 105 Ca -0.19 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 3kn0 n PRO 105 Cb 0.56 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.29 3kn0 n PRO 105 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kn0 s HIS 106 N -0.58 -0.31 0.58 6.00 2.46 -1.26 -5.05 115.29 117.13 3kn0 s HIS 106 Ca 0.69 0.74 0.29 0.00 0.47 0.00 0.00 55.06 57.24 3kn0 s HIS 106 Cb -0.87 0.11 1.48 0.00 -0.13 0.00 0.00 32.58 33.16 3kn0 s HIS 106 CO 0.56 -0.17 1.92 -1.35 -2.47 0.00 0.00 174.74 173.22 3kn0 h PRO 107 N 5.56 0.00 -0.60 2.88 0.11 -1.99 -1.45 132.00 136.51 3kn0 h PRO 107 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3kn0 h PRO 107 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kn0 h PRO 107 CO 0.33 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.31 3kn0 n PHE 108 N -3.85 0.82 -4.99 0.65 0.99 -1.26 -4.90 117.46 104.93 3kn0 n PHE 108 Ca 0.09 -0.51 -0.32 0.00 -0.00 0.00 0.00 57.45 56.71 3kn0 n PHE 108 Cb 0.68 -0.02 -0.16 0.00 -1.00 0.00 0.00 39.48 38.98 3kn0 n PHE 108 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3kn0 s LEU 109 N -1.04 2.38 0.00 4.37 1.43 -0.55 -4.70 118.68 120.57 3kn0 s LEU 109 Ca 0.40 -0.45 0.21 0.00 -1.03 0.00 0.00 54.13 53.25 3kn0 s LEU 109 Cb 0.21 -1.51 0.38 0.00 0.03 0.00 0.00 46.19 45.30 3kn0 s LEU 109 CO 0.27 0.16 1.33 0.00 0.23 0.00 0.00 176.35 178.33 3kn0 n HIS 110 N 3.55 0.45 -3.54 0.29 1.44 -1.26 -4.53 115.22 111.61 3kn0 n HIS 110 Ca -0.19 -0.25 -0.13 0.00 -2.01 0.00 0.00 57.72 55.14 3kn0 n HIS 110 Cb 0.53 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.59 3kn0 n HIS 110 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3kn0 s ARG 111 N -1.37 0.80 0.19 -1.40 1.70 -1.26 -5.17 118.95 112.44 3kn0 s ARG 111 Ca 0.34 0.11 -0.17 0.00 -0.47 0.00 0.00 55.73 55.54 3kn0 s ARG 111 Cb 0.20 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.99 3kn0 s ARG 111 CO 0.28 -0.27 0.51 1.52 -1.08 0.00 0.00 175.30 176.26 3kn0 s TYR 112 N -1.48 -0.13 -0.04 5.89 -0.85 -1.26 -4.91 117.35 114.57 3kn0 s TYR 112 Ca -0.04 -0.21 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 3kn0 s TYR 112 Cb -0.00 0.37 -0.06 0.00 0.38 0.00 0.00 41.96 42.65 3kn0 s TYR 112 CO 0.03 -0.88 1.60 -0.47 -1.52 0.00 0.00 175.55 174.31 3kn0 s TYR 113 N -3.86 2.17 -0.53 -3.49 5.04 -0.04 -4.95 117.35 111.69 3kn0 s TYR 113 Ca 0.08 0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.97 3kn0 s TYR 113 Cb -0.01 -3.87 0.14 0.00 0.35 0.00 0.00 41.96 38.57 3kn0 s TYR 113 CO -0.04 -3.58 0.37 -0.65 -1.34 0.00 0.00 175.55 170.30 3kn0 s GLN 114 N 3.67 2.46 0.36 4.97 -0.21 -1.26 -4.42 119.66 125.24 3kn0 s GLN 114 Ca 0.71 -2.07 0.04 0.00 0.02 0.00 0.00 55.36 54.06 3kn0 s GLN 114 Cb -0.33 -3.81 0.70 0.00 1.00 0.00 0.00 33.01 30.57 3kn0 s GLN 114 CO 0.29 -1.16 2.00 0.00 -2.12 0.00 0.00 175.29 174.29 3kn0 h ARG 115 N 7.85 0.76 0.00 2.91 3.08 -1.93 -1.85 114.38 125.20 3kn0 h ARG 115 Ca -0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3kn0 h ARG 115 Cb 1.03 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3kn0 h ARG 115 CO 0.76 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 180.17 3kn0 n GLN 116 N -4.46 0.16 0.00 0.04 0.00 -1.26 -2.09 117.38 109.77 3kn0 n GLN 116 Ca 0.08 0.15 0.11 0.00 0.00 0.00 0.00 57.00 57.33 3kn0 n GLN 116 Cb 0.11 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 28.93 3kn0 n GLN 116 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kn0 n LEU 117 N -1.37 2.70 -4.44 2.61 4.77 -0.70 -4.89 117.00 115.69 3kn0 n LEU 117 Ca 0.07 -0.98 -0.36 0.00 -0.03 0.00 0.00 56.01 54.71 3kn0 n LEU 117 Cb 0.16 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 3kn0 n LEU 117 CO 0.15 0.46 -0.29 -0.55 -1.33 0.00 0.00 177.39 175.83 3kn0 s SER 118 N -1.83 5.10 0.30 -1.43 0.15 -0.89 -4.24 113.70 110.85 3kn0 s SER 118 Ca 0.24 -0.21 0.26 0.00 0.70 0.00 0.00 55.95 56.94 3kn0 s SER 118 Cb 0.18 -1.91 0.93 0.00 -1.71 0.00 0.00 66.02 63.51 3kn0 s SER 118 CO 0.29 -0.03 1.76 0.77 1.20 0.00 0.00 173.24 177.24 3kn0 h SER 119 N 8.17 0.00 -0.36 5.45 4.64 -1.37 -3.03 113.55 127.06 3kn0 h SER 119 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kn0 h SER 119 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3kn0 h SER 119 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 3kn0 n THR 120 N -2.45 0.51 -2.07 2.95 -2.24 -1.26 -4.97 114.28 104.75 3kn0 n THR 120 Ca 0.03 -0.75 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 3kn0 n THR 120 Cb 0.33 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 3kn0 n THR 120 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kn0 s TYR 121 N -1.40 3.10 -0.11 4.78 5.04 -1.15 -4.49 117.35 123.12 3kn0 s TYR 121 Ca 0.36 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 56.02 3kn0 s TYR 121 Cb 0.21 -3.77 0.02 0.00 0.35 0.00 0.00 41.96 38.77 3kn0 s TYR 121 CO 0.29 -2.53 -0.12 1.03 -1.34 0.00 0.00 175.55 172.89 3kn0 s ARG 122 N -0.01 1.89 -0.13 4.97 0.52 -0.15 -4.98 118.95 121.06 3kn0 s ARG 122 Ca 0.60 -0.42 -0.28 0.00 -0.52 0.00 0.00 55.73 55.11 3kn0 s ARG 122 Cb -0.40 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3kn0 s ARG 122 CO 0.39 -0.17 0.96 0.34 0.02 0.00 0.00 175.30 176.85 3kn0 s ASP 123 N 1.35 7.16 0.00 0.23 2.15 -1.26 -0.38 116.67 125.92 3kn0 s ASP 123 Ca -0.00 1.43 0.28 0.00 0.43 0.00 0.00 52.55 54.69 3kn0 s ASP 123 Cb -0.14 -2.53 0.99 0.00 -0.30 0.00 0.00 42.92 40.94 3kn0 s ASP 123 CO -0.06 -0.45 1.71 0.18 -0.17 0.00 0.00 175.17 176.38 3kn0 n LEU 124 N 5.14 1.31 -3.98 -1.34 4.77 -0.47 -4.95 117.00 117.49 3kn0 n LEU 124 Ca 0.08 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.35 3kn0 n LEU 124 Cb 0.49 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3kn0 n LEU 124 CO 0.51 0.22 0.01 0.54 -1.33 0.00 0.00 177.39 177.34 3kn0 n ARG 125 N -0.11 -4.56 -3.83 3.23 1.74 -1.25 -4.97 116.66 106.92 3kn0 n ARG 125 Ca 0.17 0.52 -0.12 0.00 -0.77 0.00 0.00 57.85 57.64 3kn0 n ARG 125 Cb 0.35 -5.23 -0.13 0.00 -1.02 0.00 0.00 32.46 26.43 3kn0 n ARG 125 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3kn0 s LYS 126 N -6.62 0.12 0.43 5.56 2.20 -1.26 -5.06 119.74 115.11 3kn0 s LYS 126 Ca 0.52 0.17 0.05 0.00 -0.36 0.00 0.00 55.97 56.35 3kn0 s LYS 126 Cb -0.27 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.10 3kn0 s LYS 126 CO 0.86 -0.03 0.60 0.20 -0.36 0.00 0.00 175.35 176.62 3kn0 s GLY 127 N 0.15 1.79 -0.16 5.54 0.00 -1.26 -0.87 107.32 112.51 3kn0 s GLY 127 Ca -0.01 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 3kn0 s GLY 127 CO -0.00 -1.31 0.40 0.54 0.00 0.00 0.00 173.10 172.74 3kn0 s VAL 128 N -2.41 -0.02 -0.16 1.40 0.11 -0.51 -4.84 120.40 113.97 3kn0 s VAL 128 Ca 0.52 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.64 3kn0 s VAL 128 Cb -0.10 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3kn0 s VAL 128 CO 0.34 0.02 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.48 3kn0 s TYR 129 N 0.93 2.51 -0.30 1.54 5.04 -1.26 -0.73 117.35 125.08 3kn0 s TYR 129 Ca -0.06 -1.41 0.03 0.00 -2.44 0.00 0.00 57.07 53.19 3kn0 s TYR 129 Cb -0.06 -1.76 0.08 0.00 0.35 0.00 0.00 41.96 40.57 3kn0 s TYR 129 CO -0.07 -0.71 -0.01 0.08 -1.34 0.00 0.00 175.55 173.50 3kn0 s VAL 130 N 1.24 2.07 -0.19 3.14 1.01 -0.17 -5.00 120.40 122.50 3kn0 s VAL 130 Ca 0.02 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 3kn0 s VAL 130 Cb -0.14 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3kn0 s VAL 130 CO -0.10 -0.38 0.22 -2.16 0.00 0.00 0.00 175.10 172.69 3kn0 s PRO 131 N 1.06 4.20 0.04 2.72 0.04 -1.26 -1.24 135.00 140.56 3kn0 s PRO 131 Ca 0.03 -0.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.00 3kn0 s PRO 131 Cb -0.19 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.90 3kn0 s PRO 131 CO -0.08 0.21 -0.01 0.66 0.04 0.00 0.00 177.00 177.83 3kn0 n TYR 132 N 3.73 0.00 -3.61 0.56 4.01 -1.26 -5.04 117.16 115.55 3kn0 n TYR 132 Ca -0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.57 3kn0 n TYR 132 Cb 0.52 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 3kn0 n TYR 132 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3kn0 s LYS 136 N -2.01 0.51 -0.01 -0.72 1.02 -1.07 -5.22 119.74 112.23 3kn0 s LYS 136 Ca -0.01 1.00 -0.09 0.00 0.02 0.00 0.00 55.97 56.90 3kn0 s LYS 136 Cb 0.00 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 3kn0 s LYS 136 CO 0.01 -0.13 0.18 1.67 -0.92 0.00 0.00 175.35 176.16 3kn0 s TRP 137 N 1.89 -0.05 -0.02 3.18 1.48 -0.37 0.34 118.94 125.40 3kn0 s TRP 137 Ca -0.08 0.06 0.07 0.00 -1.06 0.00 0.00 56.10 55.09 3kn0 s TRP 137 Cb -0.06 0.00 -0.02 0.00 -1.16 0.00 0.00 33.47 32.23 3kn0 s TRP 137 CO -0.18 -0.28 -0.22 -1.21 -4.06 0.00 0.00 176.95 171.00 3kn0 s GLU 138 N -1.12 1.80 0.35 3.25 2.02 0.18 -1.00 118.70 124.18 3kn0 s GLU 138 Ca -0.12 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.06 3kn0 s GLU 138 Cb -0.06 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.44 3kn0 s GLU 138 CO 0.02 0.48 0.48 0.41 0.02 0.00 0.00 175.26 176.66 3kn0 n GLY 139 N 2.53 2.14 3.17 -1.39 0.00 0.09 -1.24 105.19 110.49 3kn0 n GLY 139 Ca -0.15 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3kn0 n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kn0 s GLU 140 N -2.80 2.96 0.25 1.61 2.02 -0.26 -1.42 118.70 121.06 3kn0 s GLU 140 Ca 0.29 -0.84 -0.27 0.00 0.02 0.00 0.00 54.97 54.17 3kn0 s GLU 140 Cb -0.01 -2.38 -0.09 0.00 0.10 0.00 0.00 34.13 31.75 3kn0 s GLU 140 CO 0.21 0.01 0.90 -0.51 0.02 0.00 0.00 175.26 175.88 3kn0 s LEU 141 N 0.76 4.54 0.00 1.80 1.43 -0.05 -0.42 118.68 126.75 3kn0 s LEU 141 Ca -0.09 1.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 3kn0 s LEU 141 Cb -0.16 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.42 3kn0 s LEU 141 CO -0.01 0.10 0.31 0.61 0.23 0.00 0.00 176.35 177.59 3kn0 n GLY 142 N 1.21 1.33 3.14 -3.19 0.00 -0.80 -1.37 105.19 105.50 3kn0 n GLY 142 Ca -0.02 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 3kn0 n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kn0 s THR 143 N -2.53 0.59 0.21 2.61 -4.23 0.49 -0.73 115.64 112.05 3kn0 s THR 143 Ca 0.07 -1.80 -0.23 0.00 -1.18 0.00 0.00 61.69 58.55 3kn0 s THR 143 Cb -0.01 -1.51 0.05 0.00 1.34 0.00 0.00 72.50 72.37 3kn0 s THR 143 CO 0.03 -0.83 0.90 -0.62 -0.54 0.00 0.00 174.62 173.56 3kn0 s ASP 144 N -2.83 -0.15 -0.01 3.99 -1.08 -0.97 -0.98 116.67 114.65 3kn0 s ASP 144 Ca 0.08 -0.57 -0.28 0.00 -0.52 0.00 0.00 52.55 51.27 3kn0 s ASP 144 Cb 0.04 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 42.04 3kn0 s ASP 144 CO -0.05 -1.10 0.89 -0.76 0.52 0.00 0.00 175.17 174.67 3kn0 s LEU 145 N -3.02 4.37 -0.01 -1.34 1.43 -1.26 -1.70 118.68 117.14 3kn0 s LEU 145 Ca 0.14 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 3kn0 s LEU 145 Cb -0.03 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 3kn0 s LEU 145 CO 0.05 -0.19 -0.17 -0.69 0.23 0.00 0.00 176.35 175.57 3kn0 s VAL 146 N 0.83 1.37 0.12 -1.59 1.01 0.75 -1.29 120.40 121.60 3kn0 s VAL 146 Ca 0.47 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3kn0 s VAL 146 Cb -0.20 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3kn0 s VAL 146 CO 0.25 0.39 -0.02 -0.44 0.00 0.00 0.00 175.10 175.28 3kn0 s SER 147 N -0.40 0.93 -0.30 3.32 0.01 -0.73 -1.56 113.70 114.96 3kn0 s SER 147 Ca 0.06 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.25 3kn0 s SER 147 Cb -0.07 0.15 0.09 0.00 0.21 0.00 0.00 66.02 66.40 3kn0 s SER 147 CO -0.01 -0.56 0.04 -0.63 0.41 0.00 0.00 173.24 172.50 3kn0 s ILE 148 N -3.75 1.57 0.24 1.44 1.01 -1.26 -1.24 121.20 119.21 3kn0 s ILE 148 Ca 0.16 -1.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.01 3kn0 s ILE 148 Cb 0.06 -2.09 0.27 0.00 0.01 0.00 0.00 42.46 40.71 3kn0 s ILE 148 CO -0.02 -0.51 1.63 -0.65 0.00 0.00 0.00 174.94 175.39 3kn0 h PRO 149 N 7.87 0.08 -2.50 2.79 0.11 -1.91 -1.85 132.00 136.59 3kn0 h PRO 149 Ca -0.11 -0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.23 3kn0 h PRO 149 Cb 1.03 -0.02 -0.30 0.00 0.11 0.00 0.00 31.00 31.82 3kn0 h PRO 149 CO 0.48 0.05 0.60 0.72 -0.21 0.00 0.00 178.00 179.64 3kn0 n HIS 150 N -5.36 2.78 -1.23 0.65 8.25 -1.26 -4.91 115.22 114.14 3kn0 n HIS 150 Ca 0.12 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 3kn0 n HIS 150 Cb 0.44 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.47 3kn0 n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kn0 n GLY 151 N 0.54 3.60 3.77 -1.41 0.00 -0.69 -4.49 105.19 106.50 3kn0 n GLY 151 Ca 0.35 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3kn0 n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kn0 s PRO 152 N 1.90 4.34 -1.45 1.61 0.04 -1.26 -4.86 135.00 135.30 3kn0 s PRO 152 Ca 0.00 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 3kn0 s PRO 152 Cb 0.00 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.52 3kn0 s PRO 152 CO 0.00 -0.22 2.25 0.09 0.04 0.00 0.00 177.00 179.17 3kn0 n ASN 153 N 0.82 4.40 -4.00 6.66 3.02 -1.26 -4.64 115.26 120.25 3kn0 n ASN 153 Ca 0.00 -2.85 -0.08 0.00 -0.03 0.00 0.00 54.58 51.62 3kn0 n ASN 153 Cb 0.42 -1.63 -0.09 0.00 -0.61 0.00 0.00 39.78 37.86 3kn0 n ASN 153 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kn0 s VAL 154 N 2.81 0.18 -0.07 2.41 -7.23 -1.26 -5.15 120.40 112.09 3kn0 s VAL 154 Ca 0.48 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 3kn0 s VAL 154 Cb 0.14 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.85 3kn0 s VAL 154 CO -0.08 -0.81 -0.15 -0.89 -0.31 0.00 0.00 175.10 172.86 3kn0 s THR 155 N -3.41 1.35 0.11 5.32 2.01 -1.26 -4.47 115.64 115.30 3kn0 s THR 155 Ca 0.02 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3kn0 s THR 155 Cb 0.04 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3kn0 s THR 155 CO -0.08 0.40 -0.14 0.68 -0.69 0.00 0.00 174.62 174.79 3kn0 s VAL 156 N 0.54 1.31 -0.27 3.82 -7.23 -0.60 -4.92 120.40 113.04 3kn0 s VAL 156 Ca -0.15 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.20 3kn0 s VAL 156 Cb -0.16 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 3kn0 s VAL 156 CO 0.05 -0.38 0.47 -0.60 -0.31 0.00 0.00 175.10 174.32 3kn0 s ARG 157 N -2.52 4.03 0.16 4.82 3.52 -1.26 -0.18 118.95 127.52 3kn0 s ARG 157 Ca 0.07 0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.94 3kn0 s ARG 157 Cb -0.06 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3kn0 s ARG 157 CO 0.03 -0.34 -0.14 0.00 -0.81 0.00 0.00 175.30 174.04 3kn0 s ALA 158 N 2.23 1.73 0.33 6.12 0.00 -0.69 -4.94 121.76 126.54 3kn0 s ALA 158 Ca 0.19 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.38 3kn0 s ALA 158 Cb -0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 3kn0 s ALA 158 CO 0.10 0.06 1.21 -0.80 0.00 0.00 0.00 175.76 176.33 3kn0 s ASN 159 N -2.93 6.88 -0.04 0.00 0.01 -1.26 -2.29 114.94 115.30 3kn0 s ASN 159 Ca 0.16 2.49 -0.00 0.00 -0.71 0.00 0.00 52.86 54.79 3kn0 s ASN 159 Cb -0.02 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.03 3kn0 s ASN 159 CO 0.04 -0.44 0.01 -0.63 -1.51 0.00 0.00 177.10 174.57 3kn0 s ILE 160 N -1.20 0.14 -0.39 0.60 1.01 0.09 -4.63 121.20 116.82 3kn0 s ILE 160 Ca 0.49 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 61.11 3kn0 s ILE 160 Cb -0.35 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 41.85 3kn0 s ILE 160 CO 0.46 0.16 0.52 0.00 0.00 0.00 0.00 174.94 176.09 3kn0 s ALA 161 N 1.34 3.43 -0.54 9.38 0.00 -0.46 -1.91 121.76 133.00 3kn0 s ALA 161 Ca -0.05 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 3kn0 s ALA 161 Cb -0.13 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3kn0 s ALA 161 CO -0.02 -1.47 1.01 0.00 0.00 0.00 0.00 175.76 175.28 3kn0 s ALA 162 N 2.42 3.13 -0.18 0.00 0.00 0.44 -1.27 121.76 126.31 3kn0 s ALA 162 Ca 0.18 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3kn0 s ALA 162 Cb -0.16 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.14 3kn0 s ALA 162 CO 0.15 -2.39 1.47 0.42 0.00 0.00 0.00 175.76 175.41 3kn0 s ILE 163 N 4.20 3.91 -0.19 0.00 1.01 0.64 -1.11 121.20 129.65 3kn0 s ILE 163 Ca 0.35 1.06 0.14 0.00 0.00 0.00 0.00 60.65 62.21 3kn0 s ILE 163 Cb -0.11 -3.81 -0.20 0.00 0.01 0.00 0.00 42.46 38.36 3kn0 s ILE 163 CO 0.23 -0.23 0.39 0.35 0.00 0.00 0.00 174.94 175.67 3kn0 n THR 164 N 5.89 0.00 -3.71 2.92 -2.24 -0.37 -0.51 114.28 116.26 3kn0 n THR 164 Ca 0.16 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3kn0 n THR 164 Cb 0.45 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 3kn0 n THR 164 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kn0 s GLU 165 N -2.79 0.44 -0.03 -0.78 2.02 -1.09 -4.87 118.70 111.61 3kn0 s GLU 165 Ca -0.02 0.68 -0.18 0.00 0.02 0.00 0.00 54.97 55.47 3kn0 s GLU 165 Cb 0.09 0.11 0.03 0.00 0.10 0.00 0.00 34.13 34.47 3kn0 s GLU 165 CO 0.58 -0.11 0.38 -1.54 0.02 0.00 0.00 175.26 174.60 3kn0 s SER 166 N 0.80 -0.29 -0.14 -0.19 1.04 -1.26 0.50 113.70 114.16 3kn0 s SER 166 Ca -0.05 0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 3kn0 s SER 166 Cb -0.06 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.48 3kn0 s SER 166 CO -0.06 -0.46 -0.08 -0.62 0.98 0.00 0.00 173.24 173.00 3kn0 s ASP 167 N -1.21 2.53 -2.17 7.02 3.68 0.15 -4.79 116.67 121.89 3kn0 s ASP 167 Ca -0.12 -0.48 0.00 0.00 2.13 0.00 0.00 52.55 54.08 3kn0 s ASP 167 Cb -0.04 -0.93 0.00 0.00 -1.45 0.00 0.00 42.92 40.50 3kn0 s ASP 167 CO 0.05 -0.13 0.00 0.29 0.13 0.00 0.00 175.17 175.51 3kn0 n LYS 168 N 4.88 -1.44 -0.07 4.34 5.02 -1.26 -2.60 118.16 127.03 3kn0 n LYS 168 Ca -0.13 1.22 -0.05 0.00 -2.02 0.00 0.00 58.31 57.33 3kn0 n LYS 168 Cb 0.49 -5.60 -0.02 0.00 -0.02 0.00 0.00 35.03 29.88 3kn0 n LYS 168 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kn0 n PHE 169 N -2.48 0.83 -2.36 2.13 7.35 -1.26 -4.74 117.46 116.94 3kn0 n PHE 169 Ca -0.21 0.36 -0.43 0.00 -0.76 0.00 0.00 57.45 56.41 3kn0 n PHE 169 Cb 0.68 -0.73 -0.02 0.00 0.35 0.00 0.00 39.48 39.75 3kn0 n PHE 169 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3kn0 s PHE 170 N -2.25 2.61 -0.17 -5.13 2.99 -1.26 -4.99 117.98 109.78 3kn0 s PHE 170 Ca -0.15 0.83 -0.26 0.00 0.00 0.00 0.00 56.93 57.35 3kn0 s PHE 170 Cb 0.02 -3.83 -0.01 0.00 0.00 0.00 0.00 43.02 39.20 3kn0 s PHE 170 CO 0.23 -1.97 0.85 0.42 -0.00 0.00 0.00 175.22 174.75 3kn0 s ILE 171 N 4.31 4.87 -0.14 0.64 1.01 -1.26 -4.88 121.20 125.75 3kn0 s ILE 171 Ca 0.59 1.66 -0.31 0.00 0.00 0.00 0.00 60.65 62.59 3kn0 s ILE 171 Cb -0.20 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 3kn0 s ILE 171 CO 0.22 0.02 2.06 -3.20 0.00 0.00 0.00 174.94 174.04 3kn0 n ASN 172 N 5.25 3.36 0.00 3.58 4.05 -1.26 -2.01 115.26 128.22 3kn0 n ASN 172 Ca 0.05 0.63 0.00 0.00 0.45 0.00 0.00 54.58 55.70 3kn0 n ASN 172 Cb 0.49 -1.45 0.00 0.00 1.23 0.00 0.00 39.78 40.05 3kn0 n ASN 172 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kn0 n GLY 173 N 5.20 0.66 0.19 8.20 0.00 -1.26 -4.94 105.19 113.23 3kn0 n GLY 173 Ca 0.27 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3kn0 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kn0 h SER 174 N 0.00 0.00 0.00 1.61 4.64 -1.77 -3.48 113.55 114.56 3kn0 h SER 174 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kn0 h SER 174 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kn0 h SER 174 CO 0.00 0.04 0.00 -3.20 -0.87 0.00 0.00 176.83 172.80 3kn0 n ASN 175 N -2.99 -3.33 -4.62 4.97 5.15 -1.26 -4.96 115.26 108.22 3kn0 n ASN 175 Ca 0.03 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.67 3kn0 n ASN 175 Cb 0.55 -1.27 -0.10 0.00 -0.53 0.00 0.00 39.78 38.43 3kn0 n ASN 175 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3kn0 s TRP 176 N -1.91 2.98 -0.73 1.20 1.48 -1.26 -4.61 118.94 116.09 3kn0 s TRP 176 Ca 0.00 0.03 0.09 0.00 -1.06 0.00 0.00 56.10 55.17 3kn0 s TRP 176 Cb 0.00 -1.68 0.26 0.00 -1.16 0.00 0.00 33.47 30.90 3kn0 s TRP 176 CO 0.00 0.39 1.22 0.39 -4.06 0.00 0.00 176.95 174.89 3kn0 n GLU 177 N 1.81 2.89 -3.90 3.25 4.71 0.10 -4.88 120.64 124.62 3kn0 n GLU 177 Ca -0.16 -2.00 -0.03 0.00 -0.01 0.00 0.00 57.16 54.96 3kn0 n GLU 177 Cb 0.53 -1.25 0.02 0.00 -1.01 0.00 0.00 31.44 29.73 3kn0 n GLU 177 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3kn0 s GLY 178 N -1.05 0.10 -0.02 0.62 0.00 -1.15 -0.34 107.32 105.48 3kn0 s GLY 178 Ca 0.20 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.62 3kn0 s GLY 178 CO 0.13 2.78 -0.07 -1.50 0.00 0.00 0.00 173.10 174.44 3kn0 s ILE 179 N -2.14 0.58 -0.44 0.90 2.07 0.91 -0.58 121.20 122.51 3kn0 s ILE 179 Ca 0.23 -0.26 -0.08 0.00 -1.41 0.00 0.00 60.65 59.13 3kn0 s ILE 179 Cb -0.02 -0.53 0.10 0.00 0.13 0.00 0.00 42.46 42.14 3kn0 s ILE 179 CO 0.05 0.19 0.28 -0.22 -1.91 0.00 0.00 174.94 173.33 3kn0 s LEU 180 N 0.18 5.37 -0.40 8.50 2.96 0.13 -1.61 118.68 133.81 3kn0 s LEU 180 Ca -0.02 -1.76 -0.29 0.00 -0.22 0.00 0.00 54.13 51.85 3kn0 s LEU 180 Cb -0.07 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3kn0 s LEU 180 CO -0.00 -0.60 1.09 -0.83 -1.32 0.00 0.00 176.35 174.69 3kn0 s GLY 181 N 2.29 1.44 0.00 7.98 0.00 -0.50 -1.53 107.32 117.00 3kn0 s GLY 181 Ca 0.05 -0.29 0.25 0.00 0.00 0.00 0.00 44.72 44.73 3kn0 s GLY 181 CO -0.00 2.31 1.38 1.04 0.00 0.00 0.00 173.10 177.83 3kn0 n LEU 182 N 7.29 2.19 0.00 0.66 4.77 -0.17 -4.22 117.00 127.52 3kn0 n LEU 182 Ca 0.11 -0.74 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 3kn0 n LEU 182 Cb 0.48 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3kn0 n LEU 182 CO 0.65 0.38 0.17 0.00 -1.33 0.00 0.00 177.39 177.25 3kn0 n ALA 183 N 0.53 -0.36 -1.89 -1.18 0.00 0.10 -4.94 120.51 112.76 3kn0 n ALA 183 Ca 0.14 -0.34 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 3kn0 n ALA 183 Cb 0.48 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.92 3kn0 n ALA 183 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kn0 s TYR 184 N -1.55 3.62 0.60 0.00 1.51 -0.72 -4.65 117.35 116.16 3kn0 s TYR 184 Ca 0.15 1.27 0.30 0.00 -1.01 0.00 0.00 57.07 57.78 3kn0 s TYR 184 Cb -0.01 -2.70 1.75 0.00 -0.11 0.00 0.00 41.96 40.90 3kn0 s TYR 184 CO 0.11 -0.65 2.14 0.00 -1.11 0.00 0.00 175.55 176.04 3kn0 h ALA 185 N -0.22 1.66 -0.14 3.71 0.00 -1.88 -2.72 119.26 119.67 3kn0 h ALA 185 Ca -0.44 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.50 3kn0 h ALA 185 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kn0 h ALA 185 CO 0.62 -0.22 0.14 1.49 0.00 0.00 0.00 179.25 181.28 3kn0 h GLU 186 N 0.00 0.00 -0.35 0.00 4.81 -1.88 -0.96 114.58 116.21 3kn0 h GLU 186 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kn0 h GLU 186 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3kn0 h GLU 186 CO -0.00 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.72 3kn0 n ILE 187 N -3.95 1.36 -2.44 2.32 -5.35 -1.03 -4.68 119.36 105.60 3kn0 n ILE 187 Ca 0.01 -1.23 -0.36 0.00 -0.27 0.00 0.00 62.75 60.90 3kn0 n ILE 187 Cb 0.26 0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.43 3kn0 n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kn0 s ALA 188 N -1.49 2.97 0.01 -1.28 0.00 -0.36 -4.55 121.76 117.04 3kn0 s ALA 188 Ca 0.30 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.02 3kn0 s ALA 188 Cb 0.19 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3kn0 s ALA 188 CO 0.15 -0.41 0.03 1.03 0.00 0.00 0.00 175.76 176.56 3kn0 s ARG 189 N -2.80 2.87 0.48 0.00 1.81 -1.26 -2.77 118.95 117.27 3kn0 s ARG 189 Ca 0.63 -0.58 0.27 0.00 -1.72 0.00 0.00 55.73 54.33 3kn0 s ARG 189 Cb -0.23 -2.73 0.91 0.00 -0.45 0.00 0.00 34.95 32.45 3kn0 s ARG 189 CO 0.28 0.63 1.81 -1.35 -0.68 0.00 0.00 175.30 175.98 3kn0 h PRO 190 N 4.17 0.00 -3.14 3.54 0.11 -1.94 -3.47 132.00 131.27 3kn0 h PRO 190 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3kn0 h PRO 190 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kn0 h PRO 190 CO 0.59 0.08 0.21 0.16 -0.21 0.00 0.00 178.00 178.84 3kn0 s ASP 191 N -6.00 0.07 0.00 -2.05 -4.77 -1.12 -5.03 116.67 97.78 3kn0 s ASP 191 Ca 0.03 -1.12 0.13 0.00 -3.30 0.00 0.00 52.55 48.29 3kn0 s ASP 191 Cb 0.08 0.81 0.77 0.00 -1.09 0.00 0.00 42.92 43.49 3kn0 s ASP 191 CO 0.61 -1.60 1.20 -0.90 0.70 0.00 0.00 175.17 175.18 3kn0 n ASP 192 N -1.28 0.00 0.03 2.11 5.68 -1.25 -2.68 116.55 119.15 3kn0 n ASP 192 Ca -0.07 -0.65 0.13 0.00 -0.50 0.00 0.00 54.79 53.71 3kn0 n ASP 192 Cb 0.60 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.03 3kn0 n ASP 192 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3kn0 n SER 193 N -0.88 0.36 -4.44 -1.12 3.41 -1.26 -4.58 113.62 105.10 3kn0 n SER 193 Ca 0.10 0.31 -0.43 0.00 -0.26 0.00 0.00 58.87 58.59 3kn0 n SER 193 Cb 0.04 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 3kn0 n SER 193 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3kn0 s LEU 194 N -3.46 4.55 0.08 1.04 2.96 -1.09 -4.99 118.68 117.77 3kn0 s LEU 194 Ca 0.12 -1.04 -0.32 0.00 -0.22 0.00 0.00 54.13 52.67 3kn0 s LEU 194 Cb 0.17 -2.41 -0.11 0.00 0.50 0.00 0.00 46.19 44.34 3kn0 s LEU 194 CO 0.60 -1.37 1.85 1.21 -1.32 0.00 0.00 176.35 177.32 3kn0 n GLU 195 N 7.45 2.69 -1.41 1.98 2.13 -1.26 -4.90 120.64 127.32 3kn0 n GLU 195 Ca -0.05 0.98 -0.33 0.00 0.66 0.00 0.00 57.16 58.43 3kn0 n GLU 195 Cb 0.45 -2.87 0.09 0.00 0.27 0.00 0.00 31.44 29.37 3kn0 n GLU 195 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3kn0 s PRO 196 N 3.11 2.23 0.20 5.31 0.02 -1.26 -4.51 135.00 140.10 3kn0 s PRO 196 Ca 0.84 1.48 -0.10 0.00 0.02 0.00 0.00 61.00 63.24 3kn0 s PRO 196 Cb -0.51 -1.87 0.27 0.00 0.02 0.00 0.00 34.50 32.40 3kn0 s PRO 196 CO 0.40 -1.71 1.72 0.35 -0.33 0.00 0.00 177.00 177.44 3kn0 h PHE 197 N -0.58 0.27 -0.08 6.54 3.57 -1.81 -2.28 116.94 122.57 3kn0 h PHE 197 Ca -0.46 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.00 3kn0 h PHE 197 Cb 1.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 3kn0 h PHE 197 CO 0.52 0.02 -0.28 0.35 -2.23 0.00 0.00 178.31 176.69 3kn0 h PHE 198 N 0.31 0.17 -0.34 0.41 3.57 -1.92 0.18 116.94 119.32 3kn0 h PHE 198 Ca 0.30 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.66 3kn0 h PHE 198 Cb 0.41 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3kn0 h PHE 198 CO -0.21 0.43 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.60 3kn0 h ASP 199 N 0.14 0.69 -0.38 0.41 3.32 -1.80 -1.19 116.42 117.60 3kn0 h ASP 199 Ca 0.02 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 3kn0 h ASP 199 Cb 0.58 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3kn0 h ASP 199 CO 0.04 0.92 -0.19 0.28 -1.72 0.00 0.00 179.24 178.57 3kn0 h SER 200 N 0.59 0.83 -0.24 6.45 0.02 -0.79 -1.66 113.55 118.75 3kn0 h SER 200 Ca 0.08 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3kn0 h SER 200 Cb 0.74 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3kn0 h SER 200 CO 0.06 1.06 0.12 0.25 -1.14 0.00 0.00 176.83 177.17 3kn0 h LEU 201 N 0.61 0.17 -0.70 5.07 5.85 -0.70 -0.77 115.31 124.83 3kn0 h LEU 201 Ca 0.08 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3kn0 h LEU 201 Cb 0.75 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3kn0 h LEU 201 CO 0.06 0.13 -0.41 0.58 -0.34 0.00 0.00 178.44 178.46 3kn0 h VAL 202 N 0.25 1.30 -0.05 1.05 2.07 -1.16 -1.92 116.25 117.80 3kn0 h VAL 202 Ca 0.10 -1.57 -0.16 0.00 0.82 0.00 0.00 66.70 65.88 3kn0 h VAL 202 Cb 0.03 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3kn0 h VAL 202 CO -0.07 0.49 -0.69 0.50 0.02 0.00 0.00 177.57 177.82 3kn0 h LYS 203 N 0.43 0.22 0.00 1.57 3.64 -1.05 -3.26 116.57 118.12 3kn0 h LYS 203 Ca 0.04 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kn0 h LYS 203 Cb 0.90 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3kn0 h LYS 203 CO 0.08 0.83 -0.72 1.04 -2.27 0.00 0.00 179.45 178.41 3kn0 n GLN 204 N -3.80 0.13 -2.44 1.90 6.02 -0.32 -4.97 117.38 113.90 3kn0 n GLN 204 Ca -0.03 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.93 3kn0 n GLN 204 Cb 0.68 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.36 3kn0 n GLN 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kn0 n THR 205 N -1.74 0.00 -0.29 5.09 -2.24 -0.73 -5.04 114.28 109.33 3kn0 n THR 205 Ca 0.04 -0.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 3kn0 n THR 205 Cb 0.38 0.17 0.31 0.00 -2.10 0.00 0.00 70.33 69.10 3kn0 n THR 205 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kn0 n HIS 206 N -0.16 0.93 -1.84 4.78 8.25 -1.26 -4.80 115.22 121.11 3kn0 n HIS 206 Ca -0.01 -0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 3kn0 n HIS 206 Cb 0.11 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3kn0 n HIS 206 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kn0 s VAL 207 N -1.06 2.74 0.47 1.59 1.01 -1.26 -4.94 120.40 118.95 3kn0 s VAL 207 Ca 0.48 0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.53 3kn0 s VAL 207 Cb 0.25 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 3kn0 s VAL 207 CO 0.33 0.00 1.16 -2.65 0.00 0.00 0.00 175.10 173.95 3kn0 n PRO 208 N 5.26 1.56 -1.94 2.72 -0.02 -1.26 -4.68 135.00 136.64 3kn0 n PRO 208 Ca 0.16 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 3kn0 n PRO 208 Cb 0.39 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3kn0 n PRO 208 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kn0 n ASN 209 N -0.05 4.00 -3.62 2.55 5.15 -1.26 -4.26 115.26 117.78 3kn0 n ASN 209 Ca 0.09 -2.84 -0.09 0.00 -0.60 0.00 0.00 54.58 51.15 3kn0 n ASN 209 Cb 0.41 -1.63 -0.06 0.00 -0.53 0.00 0.00 39.78 37.97 3kn0 n ASN 209 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kn0 s LEU 210 N 3.16 -0.35 0.05 1.20 0.20 -1.26 -1.36 118.68 120.33 3kn0 s LEU 210 Ca 0.51 0.56 -0.04 0.00 0.69 0.00 0.00 54.13 55.85 3kn0 s LEU 210 Cb 0.10 1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 47.59 3kn0 s LEU 210 CO -0.01 -0.20 0.07 0.72 -0.29 0.00 0.00 176.35 176.64 3kn0 s PHE 211 N -0.36 0.30 0.03 5.38 -0.71 -0.97 0.21 117.98 121.87 3kn0 s PHE 211 Ca 0.02 -0.72 0.02 0.00 -1.04 0.00 0.00 56.93 55.22 3kn0 s PHE 211 Cb -0.03 -0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 41.55 3kn0 s PHE 211 CO -0.04 -0.40 -0.08 -1.54 -1.34 0.00 0.00 175.22 171.81 3kn0 s SER 212 N -2.54 0.91 -0.07 1.98 1.04 -0.44 -0.10 113.70 114.47 3kn0 s SER 212 Ca 0.01 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.01 3kn0 s SER 212 Cb 0.03 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.16 3kn0 s SER 212 CO -0.08 -0.13 -0.15 -0.76 0.98 0.00 0.00 173.24 173.10 3kn0 s LEU 213 N -1.27 1.77 -0.30 2.42 1.43 0.10 -1.25 118.68 121.58 3kn0 s LEU 213 Ca -0.06 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3kn0 s LEU 213 Cb -0.08 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.23 3kn0 s LEU 213 CO 0.00 0.07 -0.02 -1.58 0.23 0.00 0.00 176.35 175.06 3kn0 s GLN 214 N 0.57 2.07 -0.24 1.70 0.74 0.17 -1.21 119.66 123.46 3kn0 s GLN 214 Ca -0.16 -1.51 -0.10 0.00 0.05 0.00 0.00 55.36 53.64 3kn0 s GLN 214 Cb -0.16 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3kn0 s GLN 214 CO 0.05 -0.72 0.16 -0.51 -0.55 0.00 0.00 175.29 173.72 3kn0 s LEU 215 N 1.09 4.11 -0.38 3.68 1.43 -1.26 -0.63 118.68 126.71 3kn0 s LEU 215 Ca -0.01 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 3kn0 s LEU 215 Cb -0.20 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 43.99 3kn0 s LEU 215 CO -0.05 0.07 0.17 0.00 0.23 0.00 0.00 176.35 176.78 3kn0 s GLY 217 N 1.74 2.92 0.45 0.00 0.00 -1.26 -4.71 107.32 106.46 3kn0 s GLY 217 Ca 0.01 0.53 0.25 0.00 0.00 0.00 0.00 44.72 45.51 3kn0 s GLY 217 CO 0.01 1.02 1.70 0.00 0.00 0.00 0.00 173.10 175.83 3kn0 h ALA 218 N 3.64 0.97 0.00 3.20 0.00 -1.93 -3.43 119.26 121.70 3kn0 h ALA 218 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kn0 h ALA 218 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kn0 h ALA 218 CO 0.66 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.41 3kn0 n GLY 219 N 0.80 0.96 3.60 0.00 0.00 -1.26 -5.00 105.19 104.29 3kn0 n GLY 219 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3kn0 n GLY 219 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kn0 s PHE 220 N -3.06 -0.10 0.38 1.61 -0.71 -1.26 -4.88 117.98 109.96 3kn0 s PHE 220 Ca 0.00 -0.26 -0.27 0.00 -1.04 0.00 0.00 56.93 55.36 3kn0 s PHE 220 Cb 0.00 0.45 -0.10 0.00 -1.21 0.00 0.00 43.02 42.16 3kn0 s PHE 220 CO 0.00 -1.00 1.37 -2.14 -1.34 0.00 0.00 175.22 172.11 3kn0 s PRO 221 N -3.89 4.08 -0.17 1.99 0.02 -1.26 -4.92 135.00 130.84 3kn0 s PRO 221 Ca 0.11 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.45 3kn0 s PRO 221 Cb -0.02 -2.89 0.01 0.00 0.02 0.00 0.00 34.50 31.62 3kn0 s PRO 221 CO 0.00 -0.46 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.52 3kn0 s LEU 222 N -2.20 2.27 1.01 -5.54 1.43 -1.26 -5.06 118.68 109.33 3kn0 s LEU 222 Ca 0.54 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 3kn0 s LEU 222 Cb -0.42 -1.52 0.20 0.00 0.03 0.00 0.00 46.19 44.49 3kn0 s LEU 222 CO 0.55 0.03 1.19 0.54 0.23 0.00 0.00 176.35 178.89 3kn0 s ASN 223 N 1.12 2.68 0.50 2.29 2.20 -1.26 -4.66 114.94 117.82 3kn0 s ASN 223 Ca 0.01 0.64 0.24 0.00 -0.94 0.00 0.00 52.86 52.80 3kn0 s ASN 223 Cb -0.14 -0.94 1.32 0.00 -2.00 0.00 0.00 41.25 39.48 3kn0 s ASN 223 CO -0.07 -3.03 1.96 -0.61 -2.94 0.00 0.00 177.10 172.41 3kn0 h GLN 224 N -1.84 0.11 0.06 3.55 4.15 -2.00 -1.35 115.11 117.80 3kn0 h GLN 224 Ca -0.47 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 58.65 3kn0 h GLN 224 Cb 1.29 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3kn0 h GLN 224 CO 0.46 0.07 -1.54 0.77 -1.93 0.00 0.00 178.83 176.66 3kn0 h SER 225 N 0.11 0.21 0.15 -0.69 0.02 -2.01 -3.34 113.55 108.01 3kn0 h SER 225 Ca 0.31 -0.33 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 3kn0 h SER 225 Cb 1.07 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3kn0 h SER 225 CO -0.04 1.28 -0.59 -0.33 -1.14 0.00 0.00 176.83 176.01 3kn0 h GLU 226 N 0.04 0.44 0.00 3.45 5.08 -1.72 -2.83 114.58 119.04 3kn0 h GLU 226 Ca -0.23 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3kn0 h GLU 226 Cb 1.98 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.27 3kn0 h GLU 226 CO 0.12 0.91 0.00 1.55 -1.00 0.00 0.00 179.01 180.59 3kn0 n VAL 227 N -3.92 0.74 0.04 3.13 3.14 -0.58 -1.19 118.33 119.70 3kn0 n VAL 227 Ca -0.03 0.12 0.07 0.00 -2.96 0.00 0.00 64.34 61.54 3kn0 n VAL 227 Cb 0.62 -0.94 -0.08 0.00 -1.06 0.00 0.00 33.84 32.38 3kn0 n VAL 227 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3kn0 n LEU 228 N -1.95 0.54 -0.81 6.55 4.77 -1.09 -4.10 117.00 120.91 3kn0 n LEU 228 Ca 0.04 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 3kn0 n LEU 228 Cb 0.26 0.04 0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3kn0 n LEU 228 CO 0.21 0.01 0.57 0.00 -1.33 0.00 0.00 177.39 176.85 3kn0 n ALA 229 N -2.31 2.45 -2.83 -1.18 0.00 -0.93 -4.97 120.51 110.75 3kn0 n ALA 229 Ca -0.06 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.32 3kn0 n ALA 229 Cb 0.68 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 3kn0 n ALA 229 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kn0 s SER 230 N -1.59 6.06 -0.15 0.00 0.15 -0.33 -5.07 113.70 112.77 3kn0 s SER 230 Ca 0.24 0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.94 3kn0 s SER 230 Cb 0.17 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 3kn0 s SER 230 CO 0.25 0.36 1.13 -0.69 1.20 0.00 0.00 173.24 175.48 3kn0 s VAL 231 N -1.08 4.50 -2.86 4.45 1.01 -1.26 -4.68 120.40 120.48 3kn0 s VAL 231 Ca 0.18 1.81 0.25 0.00 0.00 0.00 0.00 61.98 64.21 3kn0 s VAL 231 Cb -0.12 -4.16 0.27 0.00 0.00 0.00 0.00 36.38 32.37 3kn0 s VAL 231 CO 0.08 -0.09 1.36 0.61 0.00 0.00 0.00 175.10 177.05 3kn0 n GLY 232 N 3.36 0.89 0.00 4.51 0.00 0.89 -4.91 105.19 109.93 3kn0 n GLY 232 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3kn0 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kn0 n GLY 233 N 1.33 0.91 2.89 -0.02 0.00 -1.19 -0.26 105.19 108.86 3kn0 n GLY 233 Ca 0.15 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 3kn0 n GLY 233 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn0 s SER 234 N -4.00 0.15 -0.26 1.61 0.01 0.20 -1.18 113.70 110.23 3kn0 s SER 234 Ca 0.00 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.25 3kn0 s SER 234 Cb 0.00 -0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.28 3kn0 s SER 234 CO 0.00 0.01 -0.09 -0.32 0.41 0.00 0.00 173.24 173.25 3kn0 s MET 235 N -0.06 2.09 -0.36 12.44 0.00 -1.26 -0.66 119.30 131.49 3kn0 s MET 235 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 55.69 54.22 3kn0 s MET 235 Cb -0.01 -2.85 -0.01 0.00 0.00 0.00 0.00 34.83 31.97 3kn0 s MET 235 CO -0.00 -0.59 0.37 0.42 0.00 0.00 0.00 175.02 175.22 3kn0 s ILE 236 N 1.14 5.16 -0.30 10.11 -1.09 -0.38 -4.84 121.20 131.00 3kn0 s ILE 236 Ca -0.07 -0.03 -0.19 0.00 -2.23 0.00 0.00 60.65 58.13 3kn0 s ILE 236 Cb -0.20 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 3kn0 s ILE 236 CO -0.05 -0.15 0.54 -0.63 -1.23 0.00 0.00 174.94 173.42 3kn0 s ILE 237 N 2.03 5.02 0.00 2.92 -1.09 -1.26 -1.33 121.20 127.48 3kn0 s ILE 237 Ca 0.12 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 3kn0 s ILE 237 Cb -0.17 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 3kn0 s ILE 237 CO 0.12 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 3kn0 n GLY 238 N 4.54 0.72 1.98 6.18 0.00 0.13 -4.76 105.19 113.98 3kn0 n GLY 238 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 3kn0 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kn0 n GLY 239 N -2.53 0.84 3.06 -0.02 0.00 -1.24 -4.45 105.19 100.85 3kn0 n GLY 239 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3kn0 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kn0 s ILE 240 N -2.26 1.63 -0.33 -0.61 1.01 -1.26 -4.02 121.20 115.35 3kn0 s ILE 240 Ca 0.12 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 3kn0 s ILE 240 Cb -0.01 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 3kn0 s ILE 240 CO 0.02 0.47 0.21 -0.62 0.00 0.00 0.00 174.94 175.02 3kn0 s ASP 241 N 1.15 5.91 0.00 3.58 2.15 -1.26 -4.75 116.67 123.46 3kn0 s ASP 241 Ca -0.02 -0.42 0.11 0.00 0.43 0.00 0.00 52.55 52.65 3kn0 s ASP 241 Cb -0.14 -2.10 0.47 0.00 -0.30 0.00 0.00 42.92 40.85 3kn0 s ASP 241 CO -0.05 -0.21 1.33 1.41 -0.17 0.00 0.00 175.17 177.48 3kn0 n HIS 242 N 5.07 0.00 1.13 -5.34 8.25 -1.26 -2.40 115.22 120.66 3kn0 n HIS 242 Ca -0.13 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.47 3kn0 n HIS 242 Cb 0.50 -0.48 0.55 0.00 1.12 0.00 0.00 29.99 31.68 3kn0 n HIS 242 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kn0 n SER 243 N -1.48 0.21 -0.30 0.41 3.41 -1.26 -3.79 113.62 110.82 3kn0 n SER 243 Ca 0.03 0.04 0.14 0.00 -0.26 0.00 0.00 58.87 58.82 3kn0 n SER 243 Cb 0.12 -0.22 0.50 0.00 -0.26 0.00 0.00 64.21 64.35 3kn0 n SER 243 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kn0 n LEU 244 N -1.37 1.08 -3.98 1.04 4.77 -1.01 -4.83 117.00 112.70 3kn0 n LEU 244 Ca 0.09 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.67 3kn0 n LEU 244 Cb 0.32 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3kn0 n LEU 244 CO 0.28 0.19 -0.07 -0.72 -1.33 0.00 0.00 177.39 175.74 3kn0 s TYR 245 N -2.28 0.45 0.17 -1.77 1.13 -1.25 -1.26 117.35 112.54 3kn0 s TYR 245 Ca 0.31 -0.82 0.09 0.00 -1.41 0.00 0.00 57.07 55.24 3kn0 s TYR 245 Cb 0.20 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 3kn0 s TYR 245 CO 0.43 -0.67 -0.20 0.95 -2.51 0.00 0.00 175.55 173.56 3kn0 s THR 246 N -3.97 1.95 0.00 -3.49 -4.23 -0.58 -4.79 115.64 100.53 3kn0 s THR 246 Ca 0.17 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3kn0 s THR 246 Cb 0.04 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3kn0 s THR 246 CO -0.01 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3kn0 n GLY 247 N 0.29 -1.13 3.90 3.99 0.00 -1.26 -3.64 105.19 107.33 3kn0 n GLY 247 Ca -0.13 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 3kn0 n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn0 s SER 248 N -4.00 6.09 -0.08 1.61 0.01 -1.26 -4.96 113.70 111.10 3kn0 s SER 248 Ca 0.00 0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 3kn0 s SER 248 Cb 0.00 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 3kn0 s SER 248 CO 0.00 0.07 0.65 -0.76 0.41 0.00 0.00 173.24 173.61 3kn0 s LEU 249 N -3.11 4.30 -0.10 2.44 1.43 -1.26 -4.51 118.68 117.87 3kn0 s LEU 249 Ca 0.33 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 3kn0 s LEU 249 Cb -0.11 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 3kn0 s LEU 249 CO 0.27 -0.09 -0.17 0.26 0.23 0.00 0.00 176.35 176.85 3kn0 s TRP 250 N 0.78 2.70 -0.10 0.29 0.52 -0.25 -4.90 118.94 117.97 3kn0 s TRP 250 Ca 0.35 -0.62 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 3kn0 s TRP 250 Cb -0.17 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 3kn0 s TRP 250 CO 0.16 -0.16 0.04 0.71 0.02 0.00 0.00 176.95 177.72 3kn0 s TYR 251 N 0.06 3.27 0.01 -1.98 1.51 -1.26 -0.79 117.35 118.17 3kn0 s TYR 251 Ca -0.07 0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 3kn0 s TYR 251 Cb -0.15 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3kn0 s TYR 251 CO 0.05 0.50 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.66 3kn0 s THR 252 N -0.78 2.22 0.46 -0.71 -1.32 0.15 -3.41 115.64 112.26 3kn0 s THR 252 Ca 0.12 -1.20 -0.24 0.00 -1.21 0.00 0.00 61.69 59.17 3kn0 s THR 252 Cb -0.12 -1.83 -0.07 0.00 -1.51 0.00 0.00 72.50 68.97 3kn0 s THR 252 CO 0.03 0.48 1.27 -2.84 -2.21 0.00 0.00 174.62 171.35 3kn0 s PRO 253 N -0.93 3.69 -0.38 7.08 0.02 -1.26 -0.59 135.00 142.62 3kn0 s PRO 253 Ca 0.11 2.05 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 3kn0 s PRO 253 Cb -0.10 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 31.92 3kn0 s PRO 253 CO 0.01 -0.69 0.96 0.42 -0.33 0.00 0.00 177.00 177.36 3kn0 s ILE 254 N -1.36 4.53 0.16 2.83 1.01 -0.33 -4.61 121.20 123.43 3kn0 s ILE 254 Ca 0.63 1.18 -0.16 0.00 0.00 0.00 0.00 60.65 62.30 3kn0 s ILE 254 Cb -0.36 -4.38 0.02 0.00 0.01 0.00 0.00 42.46 37.76 3kn0 s ILE 254 CO 0.44 -0.61 1.78 -0.09 0.00 0.00 0.00 174.94 176.47 3kn0 h ARG 255 N 8.58 0.41 -2.81 2.79 2.43 -1.29 -3.44 114.38 121.05 3kn0 h ARG 255 Ca -0.23 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.80 3kn0 h ARG 255 Cb 1.08 -0.09 -0.23 0.00 -0.42 0.00 0.00 29.97 30.31 3kn0 h ARG 255 CO 1.00 0.27 -0.23 0.50 -1.51 0.00 0.00 179.97 180.00 3kn0 s ARG 256 N -6.15 0.55 -1.00 0.20 3.52 -1.26 -5.09 118.95 109.72 3kn0 s ARG 256 Ca -0.13 0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.62 3kn0 s ARG 256 Cb 0.11 0.26 0.13 0.00 -1.56 0.00 0.00 34.95 33.89 3kn0 s ARG 256 CO 0.72 -0.10 1.23 -1.21 -0.81 0.00 0.00 175.30 175.12 3kn0 s GLU 257 N -0.29 3.70 0.00 5.12 2.02 -1.26 -3.99 118.70 124.00 3kn0 s GLU 257 Ca -0.04 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.09 3kn0 s GLU 257 Cb -0.03 -5.00 0.00 0.00 0.10 0.00 0.00 34.13 29.19 3kn0 s GLU 257 CO 0.02 -1.83 0.00 -2.67 0.02 0.00 0.00 175.26 170.80 3kn0 n TRP 258 N 6.65 0.00 -2.19 1.61 4.27 -1.26 -4.67 117.44 121.85 3kn0 n TRP 258 Ca 0.28 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.62 3kn0 n TRP 258 Cb 0.48 0.00 0.13 0.00 -1.36 0.00 0.00 31.31 30.56 3kn0 n TRP 258 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3kn0 s TYR 259 N 0.00 1.96 -1.10 -2.67 2.02 -1.26 -1.75 117.35 114.54 3kn0 s TYR 259 Ca 0.00 0.18 -0.17 0.00 -0.37 0.00 0.00 57.07 56.71 3kn0 s TYR 259 Cb 0.00 -3.53 0.13 0.00 -0.40 0.00 0.00 41.96 38.16 3kn0 s TYR 259 CO 0.00 -2.04 1.37 0.71 -1.57 0.00 0.00 175.55 174.02 3kn0 s TYR 260 N -3.50 3.17 0.03 2.71 1.51 -1.26 -4.85 117.35 115.16 3kn0 s TYR 260 Ca 0.68 -1.67 -0.25 0.00 -1.01 0.00 0.00 57.07 54.83 3kn0 s TYR 260 Cb -0.06 -4.40 -0.05 0.00 -0.11 0.00 0.00 41.96 37.33 3kn0 s TYR 260 CO 0.48 -1.54 0.76 -2.00 -1.11 0.00 0.00 175.55 172.14 3kn0 s GLU 261 N 2.69 4.48 0.35 -0.62 2.12 -1.26 -2.31 118.70 124.16 3kn0 s GLU 261 Ca 0.41 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.82 3kn0 s GLU 261 Cb -0.02 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3kn0 s GLU 261 CO -0.03 0.25 0.12 0.14 -0.54 0.00 0.00 175.26 175.19 3kn0 s VAL 262 N 0.07 0.67 -0.15 3.70 -7.23 0.15 -0.80 120.40 116.82 3kn0 s VAL 262 Ca 0.39 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3kn0 s VAL 262 Cb -0.20 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.25 3kn0 s VAL 262 CO 0.22 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.22 3kn0 s ILE 263 N -3.36 1.70 -0.10 -0.62 1.01 -1.26 -4.01 121.20 114.55 3kn0 s ILE 263 Ca 0.31 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 3kn0 s ILE 263 Cb 0.05 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3kn0 s ILE 263 CO 0.15 0.48 0.47 -0.63 0.00 0.00 0.00 174.94 175.42 3kn0 s ILE 264 N 1.34 5.16 -0.60 2.92 1.01 -1.26 -2.31 121.20 127.47 3kn0 s ILE 264 Ca 0.03 0.95 0.09 0.00 0.00 0.00 0.00 60.65 61.72 3kn0 s ILE 264 Cb -0.13 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 3kn0 s ILE 264 CO -0.10 0.35 0.47 1.33 0.00 0.00 0.00 174.94 177.00 3kn0 n VAL 265 N 3.48 0.00 -3.61 2.92 0.24 0.10 -4.76 118.33 116.70 3kn0 n VAL 265 Ca -0.08 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3kn0 n VAL 265 Cb 0.52 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 3kn0 n VAL 265 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kn0 s ARG 266 N -1.62 0.60 -0.04 7.34 3.52 -1.23 -4.79 118.95 122.73 3kn0 s ARG 266 Ca 0.05 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.15 3kn0 s ARG 266 Cb 0.07 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 3kn0 s ARG 266 CO 0.31 -0.12 -0.12 0.08 -0.81 0.00 0.00 175.30 174.64 3kn0 s VAL 267 N -0.26 1.07 0.02 7.11 1.01 -1.26 -0.44 120.40 127.65 3kn0 s VAL 267 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3kn0 s VAL 267 Cb -0.03 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3kn0 s VAL 267 CO -0.02 0.32 -0.15 -1.61 0.00 0.00 0.00 175.10 173.65 3kn0 s GLU 268 N 0.23 1.04 -0.25 2.72 2.02 -0.50 -0.95 118.70 123.02 3kn0 s GLU 268 Ca -0.05 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.28 3kn0 s GLU 268 Cb -0.11 -1.04 0.05 0.00 0.10 0.00 0.00 34.13 33.13 3kn0 s GLU 268 CO 0.02 0.27 -0.12 0.42 0.02 0.00 0.00 175.26 175.87 3kn0 s ILE 269 N -0.65 2.25 -1.48 -1.63 -1.09 -0.11 -1.24 121.20 117.25 3kn0 s ILE 269 Ca 0.03 -1.44 -0.11 0.00 -2.23 0.00 0.00 60.65 56.91 3kn0 s ILE 269 Cb -0.07 -2.23 0.06 0.00 -1.58 0.00 0.00 42.46 38.64 3kn0 s ILE 269 CO 0.01 0.10 0.94 0.59 -1.23 0.00 0.00 174.94 175.35 3kn0 n ASN 270 N 4.50 -4.17 0.00 3.58 4.13 0.16 -1.31 115.26 122.15 3kn0 n ASN 270 Ca -0.16 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.33 3kn0 n ASN 270 Cb 0.44 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.68 3kn0 n ASN 270 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kn0 n GLY 271 N -1.69 2.78 3.65 7.41 0.00 -1.26 -4.99 105.19 111.08 3kn0 n GLY 271 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3kn0 n GLY 271 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kn0 s GLN 272 N -0.08 4.19 0.14 1.61 0.74 -0.43 -4.97 119.66 120.86 3kn0 s GLN 272 Ca 0.00 0.59 -0.31 0.00 0.05 0.00 0.00 55.36 55.69 3kn0 s GLN 272 Cb 0.00 -3.59 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 3kn0 s GLN 272 CO 0.00 -0.27 1.68 0.34 -0.55 0.00 0.00 175.29 176.49 3kn0 s ASP 273 N 1.26 6.51 0.55 6.67 2.15 -1.26 -0.93 116.67 131.61 3kn0 s ASP 273 Ca 0.28 2.67 0.35 0.00 0.43 0.00 0.00 52.55 56.28 3kn0 s ASP 273 Cb -0.16 -2.58 1.59 0.00 -0.30 0.00 0.00 42.92 41.47 3kn0 s ASP 273 CO 0.10 -0.91 2.05 0.25 -0.17 0.00 0.00 175.17 176.48 3kn0 h LEU 274 N 7.63 0.00 2.29 -1.34 5.85 -1.42 -3.47 115.31 124.85 3kn0 h LEU 274 Ca -0.43 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.87 3kn0 h LEU 274 Cb 1.21 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 3kn0 h LEU 274 CO 0.93 0.00 -0.48 1.17 -0.34 0.00 0.00 178.44 179.72 3kn0 n LYS 275 N -2.99 -1.61 -3.30 1.25 4.81 -1.26 -5.00 118.16 110.05 3kn0 n LYS 275 Ca -0.00 1.08 -0.28 0.00 -0.87 0.00 0.00 58.31 58.24 3kn0 n LYS 275 Cb 0.24 -5.65 -0.03 0.00 0.02 0.00 0.00 35.03 29.61 3kn0 n LYS 275 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3kn0 s MET 276 N -4.59 3.62 0.09 1.64 -1.94 -1.26 -5.01 119.30 111.85 3kn0 s MET 276 Ca 0.00 -0.00 -0.33 0.00 -1.71 0.00 0.00 55.69 53.65 3kn0 s MET 276 Cb 0.00 -2.63 -0.12 0.00 2.01 0.00 0.00 34.83 34.09 3kn0 s MET 276 CO 0.00 0.18 1.77 -3.47 -0.01 0.00 0.00 175.02 173.49 3kn0 n ASP 277 N -1.07 3.63 0.22 3.03 -0.08 -1.26 -4.80 116.55 116.21 3kn0 n ASP 277 Ca -0.02 1.01 0.13 0.00 -1.51 0.00 0.00 54.79 54.41 3kn0 n ASP 277 Cb 0.54 -1.47 0.69 0.00 2.34 0.00 0.00 41.12 43.22 3kn0 n ASP 277 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kn0 h LYS 279 N 0.00 0.00 -0.09 0.00 3.64 -1.79 -2.33 116.57 115.99 3kn0 h LYS 279 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3kn0 h LYS 279 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3kn0 h LYS 279 CO 0.00 0.36 -0.08 0.93 -2.27 0.00 0.00 179.45 178.39 3kn0 h GLU 280 N 0.00 0.13 0.00 1.90 4.39 -1.22 -2.32 114.58 117.47 3kn0 h GLU 280 Ca -0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3kn0 h GLU 280 Cb 0.66 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3kn0 h GLU 280 CO 0.05 0.22 -0.01 1.88 -1.16 0.00 0.00 179.01 179.99 3kn0 h TYR 281 N 0.13 0.00 0.00 4.33 0.99 -1.56 -3.13 116.97 117.74 3kn0 h TYR 281 Ca 0.03 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kn0 h TYR 281 Cb 0.23 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.96 3kn0 h TYR 281 CO 0.00 0.01 -0.19 0.09 -0.00 0.00 0.00 178.16 178.07 3kn0 n ASN 282 N -3.11 2.10 -4.48 3.88 3.02 -0.90 -4.36 115.26 111.42 3kn0 n ASN 282 Ca 0.01 -3.40 -0.43 0.00 -0.03 0.00 0.00 54.58 50.73 3kn0 n ASN 282 Cb 0.34 -0.47 -0.07 0.00 -0.61 0.00 0.00 39.78 38.97 3kn0 n ASN 282 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kn0 s TYR 283 N -3.01 3.10 -2.09 3.10 5.04 -1.06 0.45 117.35 122.88 3kn0 s TYR 283 Ca 0.34 -0.35 0.19 0.00 -2.44 0.00 0.00 57.07 54.81 3kn0 s TYR 283 Cb 0.31 -3.25 0.28 0.00 0.35 0.00 0.00 41.96 39.65 3kn0 s TYR 283 CO -0.01 -0.87 1.21 -0.40 -1.34 0.00 0.00 175.55 174.15 3kn0 n ASP 284 N 5.99 2.92 -3.58 4.32 5.75 -1.26 -3.63 116.55 127.05 3kn0 n ASP 284 Ca -0.05 -1.86 -0.05 0.00 -0.01 0.00 0.00 54.79 52.82 3kn0 n ASP 284 Cb 0.47 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 3kn0 n ASP 284 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3kn0 s LYS 285 N -1.38 0.52 -0.09 0.11 -2.85 0.17 -4.71 119.74 111.52 3kn0 s LYS 285 Ca 0.28 -0.21 0.01 0.00 -1.00 0.00 0.00 55.97 55.05 3kn0 s LYS 285 Cb 0.17 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.19 3kn0 s LYS 285 CO 0.25 -0.23 -0.12 -1.12 0.10 0.00 0.00 175.35 174.22 3kn0 s SER 286 N -2.40 2.07 0.20 0.03 0.01 -1.26 -0.63 113.70 111.72 3kn0 s SER 286 Ca 0.09 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.05 3kn0 s SER 286 Cb -0.00 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.27 3kn0 s SER 286 CO -0.05 -0.01 -0.04 0.27 0.41 0.00 0.00 173.24 173.82 3kn0 s ILE 287 N 0.99 1.07 -0.28 1.44 -4.36 -0.34 -0.67 121.20 119.06 3kn0 s ILE 287 Ca -0.08 -2.04 -0.08 0.00 -0.26 0.00 0.00 60.65 58.19 3kn0 s ILE 287 Cb -0.15 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 3kn0 s ILE 287 CO -0.01 -0.47 0.09 -0.69 0.24 0.00 0.00 174.94 174.11 3kn0 s VAL 288 N -3.39 4.29 -0.28 8.37 1.01 -0.98 -1.08 120.40 128.34 3kn0 s VAL 288 Ca 0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3kn0 s VAL 288 Cb 0.05 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.41 3kn0 s VAL 288 CO 0.06 0.20 0.08 -0.62 0.00 0.00 0.00 175.10 174.82 3kn0 s ASP 289 N 1.58 3.74 0.00 3.32 2.15 -0.30 -4.47 116.67 122.70 3kn0 s ASP 289 Ca 0.05 -1.42 0.22 0.00 0.43 0.00 0.00 52.55 51.83 3kn0 s ASP 289 Cb -0.16 -0.76 1.11 0.00 -0.30 0.00 0.00 42.92 42.81 3kn0 s ASP 289 CO 0.04 -0.39 1.71 -1.54 -0.17 0.00 0.00 175.17 174.82 3kn0 n SER 290 N 4.93 0.00 -0.81 -0.34 3.41 -1.26 -2.86 113.62 116.69 3kn0 n SER 290 Ca -0.04 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 3kn0 n SER 290 Cb 0.43 -0.27 0.29 0.00 -0.26 0.00 0.00 64.21 64.40 3kn0 n SER 290 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kn0 n GLY 291 N 0.57 0.90 3.29 5.00 0.00 -1.26 -4.63 105.19 109.07 3kn0 n GLY 291 Ca 0.11 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 3kn0 n GLY 291 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kn0 s THR 292 N -1.65 2.03 -0.03 2.61 2.01 -1.14 -5.03 115.64 114.44 3kn0 s THR 292 Ca 0.34 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.03 3kn0 s THR 292 Cb 0.19 -1.69 -0.17 0.00 0.01 0.00 0.00 72.50 70.84 3kn0 s THR 292 CO 0.28 0.57 1.02 0.74 -0.69 0.00 0.00 174.62 176.54 3kn0 h THR 293 N 4.67 0.90 -3.92 -0.82 2.02 -1.88 0.46 112.91 114.35 3kn0 h THR 293 Ca -0.39 -1.01 -0.47 0.00 0.77 0.00 0.00 66.41 65.30 3kn0 h THR 293 Cb 1.14 1.45 0.07 0.00 -1.74 0.00 0.00 68.15 69.07 3kn0 h THR 293 CO 0.47 0.21 0.25 0.20 0.37 0.00 0.00 175.52 177.02 3kn0 s ASN 294 N -5.42 5.31 -0.26 4.18 0.01 -1.26 -1.24 114.94 116.27 3kn0 s ASN 294 Ca -0.14 0.75 -0.23 0.00 -0.71 0.00 0.00 52.86 52.54 3kn0 s ASN 294 Cb 0.01 -1.59 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 3kn0 s ASN 294 CO 0.53 -1.30 0.74 -0.22 -1.51 0.00 0.00 177.10 175.33 3kn0 s LEU 295 N -5.17 4.08 -0.04 0.60 2.96 -0.58 -2.18 118.68 118.35 3kn0 s LEU 295 Ca 0.57 0.83 0.07 0.00 -0.22 0.00 0.00 54.13 55.37 3kn0 s LEU 295 Cb -0.11 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.54 3kn0 s LEU 295 CO 0.47 -0.47 -0.25 0.00 -1.32 0.00 0.00 176.35 174.78 3kn0 s ARG 296 N 2.72 2.28 0.09 1.98 1.70 0.16 -1.58 118.95 126.29 3kn0 s ARG 296 Ca 0.31 -0.90 0.10 0.00 -0.47 0.00 0.00 55.73 54.77 3kn0 s ARG 296 Cb -0.15 -2.05 -0.03 0.00 -0.57 0.00 0.00 34.95 32.14 3kn0 s ARG 296 CO 0.09 0.46 -0.26 -0.51 -1.08 0.00 0.00 175.30 174.00 3kn0 s LEU 297 N -0.37 2.25 0.33 -1.89 1.43 -0.15 -0.09 118.68 120.18 3kn0 s LEU 297 Ca 0.03 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.19 3kn0 s LEU 297 Cb -0.12 -1.20 -0.13 0.00 0.03 0.00 0.00 46.19 44.77 3kn0 s LEU 297 CO 0.01 0.20 1.15 -2.65 0.23 0.00 0.00 176.35 175.30 3kn0 n PRO 298 N 1.33 1.75 -0.28 1.29 -0.02 -1.26 0.36 135.00 138.17 3kn0 n PRO 298 Ca -0.18 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 61.88 3kn0 n PRO 298 Cb 0.53 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 3kn0 n PRO 298 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kn0 n LYS 299 N 0.59 -0.22 0.06 -0.52 4.81 -1.05 -0.37 118.16 121.46 3kn0 n LYS 299 Ca 0.07 1.06 0.01 0.00 -0.87 0.00 0.00 58.31 58.58 3kn0 n LYS 299 Cb 0.35 -1.57 0.35 0.00 0.02 0.00 0.00 35.03 34.17 3kn0 n LYS 299 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3kn0 h LYS 300 N 0.00 0.38 0.02 1.64 1.57 -1.92 -1.06 116.57 117.21 3kn0 h LYS 300 Ca 0.19 -0.08 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 3kn0 h LYS 300 Cb 0.37 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.64 3kn0 h LYS 300 CO -0.68 0.46 -1.07 0.28 -0.57 0.00 0.00 179.45 177.87 3kn0 h VAL 301 N 0.36 1.30 -0.50 0.50 2.07 -1.02 -2.58 116.25 116.37 3kn0 h VAL 301 Ca 0.08 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 3kn0 h VAL 301 Cb 0.34 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3kn0 h VAL 301 CO 0.01 0.71 0.27 0.15 0.02 0.00 0.00 177.57 178.73 3kn0 h PHE 302 N 0.35 0.70 -0.86 1.57 3.57 -0.63 0.24 116.94 121.89 3kn0 h PHE 302 Ca -0.13 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 3kn0 h PHE 302 Cb 1.73 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 3kn0 h PHE 302 CO 0.10 0.53 0.44 0.93 -2.23 0.00 0.00 178.31 178.08 3kn0 h GLU 303 N 0.67 1.22 -0.09 1.11 5.08 -1.20 0.13 114.58 121.50 3kn0 h GLU 303 Ca 0.18 -0.16 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 3kn0 h GLU 303 Cb 0.07 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3kn0 h GLU 303 CO -0.03 0.92 -0.80 0.00 -1.00 0.00 0.00 179.01 178.10 3kn0 h ALA 304 N 1.24 0.43 -0.29 3.43 0.00 -1.06 -2.61 119.26 120.41 3kn0 h ALA 304 Ca 0.30 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3kn0 h ALA 304 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kn0 h ALA 304 CO -0.04 0.74 -0.25 0.00 0.00 0.00 0.00 179.25 179.70 3kn0 h ALA 305 N 0.74 0.42 -0.31 0.00 0.00 -0.20 -2.10 119.26 117.82 3kn0 h ALA 305 Ca -0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3kn0 h ALA 305 Cb 1.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3kn0 h ALA 305 CO 0.15 0.41 -0.07 0.28 0.00 0.00 0.00 179.25 180.01 3kn0 h VAL 306 N 0.43 1.21 -0.31 0.00 2.07 -0.78 0.11 116.25 118.98 3kn0 h VAL 306 Ca 0.05 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 3kn0 h VAL 306 Cb 0.81 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kn0 h VAL 306 CO 0.06 0.30 -0.25 0.50 0.02 0.00 0.00 177.57 178.20 3kn0 h LYS 307 N 0.47 0.62 -0.05 1.57 3.64 -1.34 -0.34 116.57 121.15 3kn0 h LYS 307 Ca 0.09 -0.25 -0.22 0.00 -1.27 0.00 0.00 60.65 59.01 3kn0 h LYS 307 Cb 0.42 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3kn0 h LYS 307 CO 0.02 0.82 -0.87 1.03 -2.27 0.00 0.00 179.45 178.18 3kn0 h SER 308 N 0.54 0.64 0.03 4.20 0.87 -0.64 -1.94 113.55 117.25 3kn0 h SER 308 Ca 0.07 -0.47 -0.14 0.00 -1.23 0.00 0.00 61.79 60.03 3kn0 h SER 308 Cb 0.72 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3kn0 h SER 308 CO 0.06 1.26 -0.45 0.40 -0.53 0.00 0.00 176.83 177.56 3kn0 h ILE 309 N 0.32 1.31 -0.39 2.23 2.04 -0.65 -1.17 117.51 121.19 3kn0 h ILE 309 Ca -0.07 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 3kn0 h ILE 309 Cb 1.49 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3kn0 h ILE 309 CO 0.16 0.51 -0.00 0.11 0.00 0.00 0.00 178.15 178.93 3kn0 h LYS 310 N 0.41 0.70 -0.50 2.37 1.57 -1.03 -1.70 116.57 118.38 3kn0 h LYS 310 Ca 0.03 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3kn0 h LYS 310 Cb 0.95 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3kn0 h LYS 310 CO 0.08 0.79 0.06 0.00 -0.57 0.00 0.00 179.45 179.81 3kn0 h ALA 311 N 0.88 1.18 0.00 3.86 0.00 -1.12 -0.12 119.26 123.94 3kn0 h ALA 311 Ca 0.11 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3kn0 h ALA 311 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kn0 h ALA 311 CO 0.02 0.55 -0.58 0.00 0.00 0.00 0.00 179.25 179.24 3kn0 h ALA 312 N 1.32 0.98 -0.53 0.00 0.00 -1.05 -3.03 119.26 116.95 3kn0 h ALA 312 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kn0 h ALA 312 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kn0 h ALA 312 CO 0.01 0.72 0.00 -1.13 0.00 0.00 0.00 179.25 178.85 3kn0 n SER 313 N -3.76 4.82 0.04 0.00 3.41 -0.66 -4.72 113.62 112.75 3kn0 n SER 313 Ca -0.01 -2.69 0.02 0.00 -0.26 0.00 0.00 58.87 55.93 3kn0 n SER 313 Cb 0.60 -0.59 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 3kn0 n SER 313 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kn0 n SER 314 N 0.61 0.11 0.00 4.04 3.41 -0.09 -2.00 113.62 119.69 3kn0 n SER 314 Ca 0.25 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 3kn0 n SER 314 Cb 0.97 -0.50 0.41 0.00 -0.26 0.00 0.00 64.21 64.82 3kn0 n SER 314 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kn0 n THR 315 N -1.60 0.65 -4.01 6.66 -2.24 -1.26 -4.52 114.28 107.96 3kn0 n THR 315 Ca -0.00 0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.77 3kn0 n THR 315 Cb 0.07 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.28 3kn0 n THR 315 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kn0 s GLU 316 N -2.79 0.37 -0.21 -0.78 2.02 -0.85 -5.14 118.70 111.32 3kn0 s GLU 316 Ca 0.12 -0.02 -0.13 0.00 0.02 0.00 0.00 54.97 54.97 3kn0 s GLU 316 Cb 0.12 -0.47 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 3kn0 s GLU 316 CO 0.29 -0.06 0.27 0.21 0.02 0.00 0.00 175.26 175.99 3kn0 s LYS 317 N 0.63 4.14 -0.03 1.61 2.47 -1.26 -4.95 119.74 122.35 3kn0 s LYS 317 Ca -0.07 -0.04 0.05 0.00 -1.56 0.00 0.00 55.97 54.35 3kn0 s LYS 317 Cb -0.10 -3.52 -0.03 0.00 -1.46 0.00 0.00 37.83 32.72 3kn0 s LYS 317 CO -0.01 0.05 -0.16 -0.06 0.16 0.00 0.00 175.35 175.34 3kn0 s PHE 318 N 1.07 2.65 0.57 4.03 0.40 -1.26 -5.11 117.98 120.32 3kn0 s PHE 318 Ca 0.13 -0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.06 3kn0 s PHE 318 Cb -0.14 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 3kn0 s PHE 318 CO 0.05 0.18 1.21 -0.35 0.70 0.00 0.00 175.22 177.01 3kn0 n PRO 319 N 2.17 1.35 0.03 0.24 -0.04 -1.26 -4.89 135.00 132.60 3kn0 n PRO 319 Ca -0.17 0.50 0.19 0.00 -0.04 0.00 0.00 63.50 63.99 3kn0 n PRO 319 Cb 0.52 -2.40 0.70 0.00 -0.04 0.00 0.00 33.50 32.28 3kn0 n PRO 319 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kn0 h ASP 320 N 1.04 0.00 0.24 3.54 3.32 -2.00 0.16 116.42 122.72 3kn0 h ASP 320 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 3kn0 h ASP 320 Cb 1.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3kn0 h ASP 320 CO 0.55 0.00 -0.12 1.23 -1.72 0.00 0.00 179.24 179.18 3kn0 h GLY 321 N 0.00 0.00 0.51 2.75 0.00 -1.94 -2.04 103.07 102.35 3kn0 h GLY 321 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 3kn0 h GLY 321 CO -0.00 0.00 -0.10 -2.75 0.00 0.00 0.00 176.54 173.69 3kn0 h PHE 322 N 0.00 0.17 0.00 5.60 3.57 -1.12 -1.45 116.94 123.71 3kn0 h PHE 322 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3kn0 h PHE 322 Cb 0.27 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3kn0 h PHE 322 CO 0.00 0.71 0.00 -1.49 -2.23 0.00 0.00 178.31 175.30 3kn0 h TRP 323 N -0.42 0.00 -0.01 0.41 4.06 -1.46 0.59 115.95 119.12 3kn0 h TRP 323 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3kn0 h TRP 323 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 3kn0 h TRP 323 CO 0.13 0.00 -0.03 1.28 -3.56 0.00 0.00 178.44 176.26 3kn0 n LEU 324 N -2.42 1.04 -0.43 -4.49 4.77 -0.81 -4.91 117.00 109.76 3kn0 n LEU 324 Ca 0.01 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.61 3kn0 n LEU 324 Cb 0.21 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3kn0 n LEU 324 CO 0.20 0.18 -0.05 0.61 -1.33 0.00 0.00 177.39 176.99 3kn0 n GLY 325 N 1.16 0.74 0.09 -0.72 0.00 0.20 -4.88 105.19 101.77 3kn0 n GLY 325 Ca 0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 3kn0 n GLY 325 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kn0 n GLU 326 N -1.83 0.67 -4.88 1.61 1.02 -0.77 -4.77 120.64 111.70 3kn0 n GLU 326 Ca -0.06 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.84 3kn0 n GLU 326 Cb 0.31 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 3kn0 n GLU 326 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3kn0 s GLN 327 N -2.67 1.55 0.57 3.49 -2.07 -0.62 -5.00 119.66 114.91 3kn0 s GLN 327 Ca -0.09 -0.78 -0.14 0.00 -1.82 0.00 0.00 55.36 52.53 3kn0 s GLN 327 Cb 0.07 -1.55 -0.06 0.00 -1.09 0.00 0.00 33.01 30.39 3kn0 s GLN 327 CO 0.84 0.42 1.01 -0.48 -1.32 0.00 0.00 175.29 175.75 3kn0 s LEU 328 N -0.68 3.45 -0.01 2.60 0.05 -1.26 -4.19 118.68 118.65 3kn0 s LEU 328 Ca 0.08 1.53 0.07 0.00 0.05 0.00 0.00 54.13 55.85 3kn0 s LEU 328 Cb -0.08 -4.50 -0.02 0.00 -2.05 0.00 0.00 46.19 39.55 3kn0 s LEU 328 CO -0.00 -0.76 -0.21 0.68 -0.55 0.00 0.00 176.35 175.51 3kn0 s VAL 329 N -2.84 1.66 0.08 1.48 -7.23 -0.07 -4.94 120.40 108.54 3kn0 s VAL 329 Ca 0.58 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.88 3kn0 s VAL 329 Cb -0.11 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3kn0 s VAL 329 CO 0.41 0.43 -0.19 0.00 -0.31 0.00 0.00 175.10 175.44 3kn0 s TRP 331 N -1.09 1.20 0.32 0.00 0.51 -0.26 -4.97 118.94 114.65 3kn0 s TRP 331 Ca 0.04 -0.51 -0.28 0.00 -2.12 0.00 0.00 56.10 53.23 3kn0 s TRP 331 Cb -0.10 -0.66 -0.13 0.00 -0.81 0.00 0.00 33.47 31.77 3kn0 s TRP 331 CO 0.03 0.06 1.19 0.94 -0.51 0.00 0.00 176.95 178.66 3kn0 n GLN 332 N 1.02 1.84 -1.37 4.98 7.27 -1.26 -0.84 117.38 129.01 3kn0 n GLN 332 Ca -0.19 0.65 -0.54 0.00 0.07 0.00 0.00 57.00 56.99 3kn0 n GLN 332 Cb 0.55 -2.16 -0.08 0.00 2.41 0.00 0.00 30.24 30.97 3kn0 n GLN 332 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kn0 n ALA 333 N 0.37 -1.96 -0.62 1.69 0.00 -1.24 -0.92 120.51 117.83 3kn0 n ALA 333 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3kn0 n ALA 333 Cb 0.34 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kn0 n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kn0 n GLY 334 N 2.48 1.62 1.19 0.00 0.00 -1.26 -4.90 105.19 104.32 3kn0 n GLY 334 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 3kn0 n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kn0 n THR 335 N -2.00 1.01 -1.67 2.61 -2.24 -0.09 -4.98 114.28 106.92 3kn0 n THR 335 Ca 0.00 -1.00 -0.53 0.00 -2.27 0.00 0.00 64.05 60.24 3kn0 n THR 335 Cb 0.00 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3kn0 n THR 335 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kn0 n THR 336 N 1.38 0.23 -1.55 4.28 -1.04 -1.26 -4.80 114.28 111.52 3kn0 n THR 336 Ca 0.22 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.78 3kn0 n THR 336 Cb 0.58 -1.23 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 3kn0 n THR 336 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3kn0 n PRO 337 N 4.56 3.63 -0.33 -2.82 -0.04 -1.26 -4.76 135.00 133.99 3kn0 n PRO 337 Ca 0.23 -2.53 0.17 0.00 -0.04 0.00 0.00 63.50 61.32 3kn0 n PRO 337 Cb 0.19 -2.89 0.37 0.00 -0.04 0.00 0.00 33.50 31.12 3kn0 n PRO 337 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3kn0 h TRP 338 N 5.21 0.86 0.00 0.54 4.06 -1.95 -1.19 115.95 123.47 3kn0 h TRP 338 Ca 0.76 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.75 3kn0 h TRP 338 Cb 0.38 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3kn0 h TRP 338 CO 1.72 -0.02 0.00 -2.95 -3.56 0.00 0.00 178.44 173.63 3kn0 h ASN 339 N 0.47 0.00 0.92 -3.49 7.08 -2.00 -1.98 115.58 116.58 3kn0 h ASN 339 Ca 0.62 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.84 3kn0 h ASN 339 Cb 1.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 3kn0 h ASN 339 CO -0.52 0.00 -0.47 2.30 -2.08 0.00 0.00 177.43 176.66 3kn0 n ILE 340 N -2.75 0.32 -3.45 6.14 -5.35 -0.45 -4.79 119.36 109.04 3kn0 n ILE 340 Ca -0.01 -0.22 -0.38 0.00 -0.27 0.00 0.00 62.75 61.86 3kn0 n ILE 340 Cb 0.12 -0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 37.79 3kn0 n ILE 340 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3kn0 s PHE 341 N -3.12 3.71 0.61 4.28 0.08 -0.75 -3.56 117.98 119.24 3kn0 s PHE 341 Ca 0.08 1.02 -0.13 0.00 0.12 0.00 0.00 56.93 58.01 3kn0 s PHE 341 Cb 0.14 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 3kn0 s PHE 341 CO 0.69 0.58 1.03 -1.25 -0.10 0.00 0.00 175.22 176.17 3kn0 s PRO 342 N -0.88 3.42 0.44 0.24 0.04 -1.26 -4.81 135.00 132.19 3kn0 s PRO 342 Ca 0.25 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.17 3kn0 s PRO 342 Cb -0.17 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3kn0 s PRO 342 CO 0.14 -0.71 0.79 0.14 0.04 0.00 0.00 177.00 177.39 3kn0 s VAL 343 N -2.83 4.82 -0.12 -0.36 -7.23 -1.26 -4.31 120.40 109.10 3kn0 s VAL 343 Ca 0.59 0.52 0.02 0.00 -1.81 0.00 0.00 61.98 61.30 3kn0 s VAL 343 Cb -0.13 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.05 3kn0 s VAL 343 CO 0.45 -0.64 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.78 3kn0 s ILE 344 N -2.51 1.80 -0.13 -0.62 1.01 -0.40 -0.67 121.20 119.68 3kn0 s ILE 344 Ca 0.50 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3kn0 s ILE 344 Cb -0.10 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3kn0 s ILE 344 CO 0.36 0.50 -0.13 -0.44 0.00 0.00 0.00 174.94 175.23 3kn0 s SER 345 N 0.84 4.01 -0.21 3.58 0.01 -0.37 -0.77 113.70 120.79 3kn0 s SER 345 Ca -0.08 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 3kn0 s SER 345 Cb -0.15 -1.61 -0.00 0.00 0.21 0.00 0.00 66.02 64.46 3kn0 s SER 345 CO -0.01 0.16 -0.08 -0.76 0.41 0.00 0.00 173.24 172.96 3kn0 s LEU 346 N 0.39 2.71 -0.10 2.44 1.43 -0.22 -1.41 118.68 123.92 3kn0 s LEU 346 Ca -0.10 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 3kn0 s LEU 346 Cb -0.16 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3kn0 s LEU 346 CO 0.05 -0.01 0.46 -0.31 0.23 0.00 0.00 176.35 176.77 3kn0 s TYR 347 N 1.40 3.55 0.04 0.29 1.51 0.41 -1.50 117.35 123.05 3kn0 s TYR 347 Ca 0.05 0.90 0.08 0.00 -1.01 0.00 0.00 57.07 57.09 3kn0 s TYR 347 Cb -0.14 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 3kn0 s TYR 347 CO -0.05 0.25 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.93 3kn0 s LEU 348 N 0.31 2.47 0.18 -1.29 1.43 0.42 0.02 118.68 122.21 3kn0 s LEU 348 Ca 0.25 -0.47 -0.33 0.00 -1.03 0.00 0.00 54.13 52.54 3kn0 s LEU 348 Cb -0.15 -1.45 -0.14 0.00 0.03 0.00 0.00 46.19 44.48 3kn0 s LEU 348 CO 0.11 0.26 1.45 0.80 0.23 0.00 0.00 176.35 179.20 3kn0 n MET 349 N 1.63 1.88 -2.50 1.70 0.00 -0.98 -1.94 117.12 116.92 3kn0 n MET 349 Ca -0.16 0.68 -0.25 0.00 -0.00 0.00 0.00 57.70 57.96 3kn0 n MET 349 Cb 0.52 -2.37 0.14 0.00 0.00 0.00 0.00 33.22 31.51 3kn0 n MET 349 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3kn0 s GLY 350 N 0.57 1.76 0.03 -5.12 0.00 0.69 -4.04 107.32 101.21 3kn0 s GLY 350 Ca 0.76 -1.77 0.26 0.00 0.00 0.00 0.00 44.72 43.97 3kn0 s GLY 350 CO 0.44 -1.11 1.60 1.18 0.00 0.00 0.00 173.10 175.20 3kn0 n GLU 351 N -3.06 0.05 -3.75 2.90 1.02 -1.22 -4.59 120.64 111.99 3kn0 n GLU 351 Ca 0.17 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.97 3kn0 n GLU 351 Cb 0.61 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 3kn0 n GLU 351 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kn0 s VAL 352 N -3.03 5.42 0.13 2.62 1.01 -1.26 -5.04 120.40 120.25 3kn0 s VAL 352 Ca 0.11 0.27 -0.34 0.00 0.00 0.00 0.00 61.98 62.03 3kn0 s VAL 352 Cb 0.17 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.91 3kn0 s VAL 352 CO 0.64 0.51 1.10 0.41 0.00 0.00 0.00 175.10 177.76 3kn0 n THR 353 N 2.87 0.74 -1.34 3.92 -1.04 -1.26 -0.91 114.28 117.25 3kn0 n THR 353 Ca -0.17 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.05 61.54 3kn0 n THR 353 Cb 0.53 -0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 68.40 3kn0 n THR 353 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3kn0 n ASN 354 N 1.98 -5.52 -4.34 8.00 3.02 -1.26 -4.97 115.26 112.17 3kn0 n ASN 354 Ca 0.17 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.69 3kn0 n ASN 354 Cb 0.21 -4.06 -0.15 0.00 -0.61 0.00 0.00 39.78 35.17 3kn0 n ASN 354 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3kn0 s GLN 355 N -2.94 2.62 0.29 3.52 0.74 -0.09 -0.31 119.66 123.49 3kn0 s GLN 355 Ca 0.00 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.61 3kn0 s GLN 355 Cb 0.00 -2.27 -0.06 0.00 1.10 0.00 0.00 33.01 31.78 3kn0 s GLN 355 CO 0.00 0.44 0.08 -1.54 -0.55 0.00 0.00 175.29 173.72 3kn0 s SER 356 N -0.28 1.73 0.19 6.67 1.04 0.22 -0.22 113.70 123.05 3kn0 s SER 356 Ca 0.01 -1.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.02 3kn0 s SER 356 Cb -0.13 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 3kn0 s SER 356 CO 0.03 -0.68 0.18 0.72 0.98 0.00 0.00 173.24 174.46 3kn0 s PHE 357 N -3.54 0.95 0.07 5.02 -0.12 -0.82 -0.67 117.98 118.86 3kn0 s PHE 357 Ca 0.37 -1.22 0.05 0.00 -0.05 0.00 0.00 56.93 56.08 3kn0 s PHE 357 Cb 0.08 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 3kn0 s PHE 357 CO 0.15 -0.67 -0.14 -0.98 -0.05 0.00 0.00 175.22 173.52 3kn0 s ARG 358 N -4.11 0.84 -0.06 1.99 1.70 0.36 -0.44 118.95 119.23 3kn0 s ARG 358 Ca 0.33 -0.93 0.05 0.00 -0.47 0.00 0.00 55.73 54.71 3kn0 s ARG 358 Cb 0.06 -0.85 -0.01 0.00 -0.57 0.00 0.00 34.95 33.57 3kn0 s ARG 358 CO 0.09 0.19 -0.23 0.96 -1.08 0.00 0.00 175.30 175.24 3kn0 s ILE 359 N -1.21 2.26 -0.11 4.99 -4.36 -0.56 -1.31 121.20 120.91 3kn0 s ILE 359 Ca -0.01 -0.99 0.03 0.00 -0.26 0.00 0.00 60.65 59.41 3kn0 s ILE 359 Cb -0.10 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.78 3kn0 s ILE 359 CO 0.02 0.57 -0.20 -0.89 0.24 0.00 0.00 174.94 174.68 3kn0 s THR 360 N -0.18 1.80 0.19 8.37 2.01 0.45 -1.06 115.64 127.21 3kn0 s THR 360 Ca -0.03 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.22 3kn0 s THR 360 Cb -0.14 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3kn0 s THR 360 CO 0.04 0.50 -0.08 0.27 -0.69 0.00 0.00 174.62 174.66 3kn0 s ILE 361 N 0.68 3.26 0.37 1.82 -4.36 0.05 -1.97 121.20 121.06 3kn0 s ILE 361 Ca -0.12 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 58.69 3kn0 s ILE 361 Cb -0.16 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 3kn0 s ILE 361 CO 0.02 -0.13 0.44 -0.76 0.24 0.00 0.00 174.94 174.76 3kn0 s LEU 362 N -2.90 3.70 0.61 0.37 1.43 -1.26 -1.28 118.68 119.35 3kn0 s LEU 362 Ca 0.26 -0.42 0.40 0.00 -1.03 0.00 0.00 54.13 53.33 3kn0 s LEU 362 Cb -0.09 -2.48 2.00 0.00 0.03 0.00 0.00 46.19 45.66 3kn0 s LEU 362 CO 0.16 -0.54 2.20 1.55 0.23 0.00 0.00 176.35 179.95 3kn0 h PRO 363 N 0.93 0.00 0.00 1.29 0.13 -1.88 0.16 132.00 132.64 3kn0 h PRO 363 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3kn0 h PRO 363 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kn0 h PRO 363 CO 0.53 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.26 3kn0 h GLN 364 N 0.00 0.00 0.03 0.86 7.50 -1.86 -0.27 115.11 121.37 3kn0 h GLN 364 Ca 0.00 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 58.77 3kn0 h GLN 364 Cb 0.18 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.66 3kn0 h GLN 364 CO 0.00 0.00 -2.20 1.04 -1.50 0.00 0.00 178.83 176.17 3kn0 n GLN 365 N -2.54 0.66 0.00 1.46 3.00 0.55 -4.55 117.38 115.95 3kn0 n GLN 365 Ca -0.00 0.26 0.15 0.00 -0.01 0.00 0.00 57.00 57.39 3kn0 n GLN 365 Cb 0.15 -1.60 0.66 0.00 0.00 0.00 0.00 30.24 29.45 3kn0 n GLN 365 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 3kn0 n TYR 366 N -3.68 0.00 -3.83 1.08 0.18 -1.02 -4.55 117.16 105.33 3kn0 n TYR 366 Ca -0.42 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.00 3kn0 n TYR 366 Cb 0.94 -0.03 -0.13 0.00 -0.38 0.00 0.00 39.34 39.75 3kn0 n TYR 366 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3kn0 s LEU 367 N -2.08 3.58 -0.27 -3.48 1.43 -0.14 -0.32 118.68 117.41 3kn0 s LEU 367 Ca 0.39 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 3kn0 s LEU 367 Cb 0.21 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3kn0 s LEU 367 CO 0.37 -0.16 0.49 -0.60 0.23 0.00 0.00 176.35 176.68 3kn0 s ARG 368 N 1.44 4.02 0.17 1.70 3.52 -0.04 -4.79 118.95 124.98 3kn0 s ARG 368 Ca 0.02 0.24 -0.33 0.00 -0.13 0.00 0.00 55.73 55.53 3kn0 s ARG 368 Cb -0.17 -3.67 -0.12 0.00 -1.56 0.00 0.00 34.95 29.43 3kn0 s ARG 368 CO -0.00 -0.37 1.70 -2.30 -0.81 0.00 0.00 175.30 173.52 3kn0 n PRO 369 N 5.53 2.56 -3.94 5.12 -0.02 -1.26 -1.40 135.00 141.59 3kn0 n PRO 369 Ca -0.05 0.93 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 3kn0 n PRO 369 Cb 0.50 -2.76 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 3kn0 n PRO 369 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kn0 s VAL 370 N 1.39 0.07 0.15 -1.45 -7.23 -0.48 -4.66 120.40 108.19 3kn0 s VAL 370 Ca 0.78 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 3kn0 s VAL 370 Cb -0.56 -0.19 -0.08 0.00 0.56 0.00 0.00 36.38 36.12 3kn0 s VAL 370 CO 0.35 -0.33 1.25 -0.70 -0.31 0.00 0.00 175.10 175.35 3kn0 s GLU 371 N -0.98 4.43 0.30 4.82 2.56 -1.26 -4.05 118.70 124.52 3kn0 s GLU 371 Ca -0.11 1.91 -0.30 0.00 0.00 0.00 0.00 54.97 56.48 3kn0 s GLU 371 Cb -0.07 -3.26 -0.11 0.00 2.00 0.00 0.00 34.13 32.69 3kn0 s GLU 371 CO -0.01 -0.21 1.55 0.34 -0.56 0.00 0.00 175.26 176.37 3kn0 s ASP 372 N 0.54 6.43 0.00 -1.70 2.15 -1.26 -4.82 116.67 118.00 3kn0 s ASP 372 Ca 0.57 2.91 0.00 0.00 0.43 0.00 0.00 52.55 56.45 3kn0 s ASP 372 Cb -0.33 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.65 3kn0 s ASP 372 CO 0.34 -0.86 0.69 0.52 -0.17 0.00 0.00 175.17 175.69 3kn0 n VAL 373 N 1.97 0.96 0.05 1.11 0.31 -1.26 0.16 118.33 121.64 3kn0 n VAL 373 Ca 0.07 0.34 0.03 0.00 -0.01 0.00 0.00 64.34 64.76 3kn0 n VAL 373 Cb 0.38 -1.34 0.05 0.00 -0.91 0.00 0.00 33.84 32.03 3kn0 n VAL 373 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kn0 n ALA 374 N -1.19 2.27 -0.85 3.52 0.00 -1.26 -4.96 120.51 118.03 3kn0 n ALA 374 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 53.44 52.56 3kn0 n ALA 374 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 3kn0 n ALA 374 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kn0 n THR 375 N 0.14 0.00 0.00 0.00 -2.24 0.43 -4.91 114.28 107.71 3kn0 n THR 375 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3kn0 n THR 375 Cb 0.25 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3kn0 n THR 375 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kn0 n SER 376 N 0.25 -0.85 -1.22 3.42 3.41 -1.26 -4.90 113.62 112.47 3kn0 n SER 376 Ca -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3kn0 n SER 376 Cb 0.34 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.57 3kn0 n SER 376 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kn0 n GLN 377 N -0.85 2.66 -1.95 4.33 6.02 -1.26 -4.87 117.38 121.46 3kn0 n GLN 377 Ca 0.00 -2.49 -0.33 0.00 -0.01 0.00 0.00 57.00 54.16 3kn0 n GLN 377 Cb 0.00 -1.52 0.03 0.00 1.02 0.00 0.00 30.24 29.76 3kn0 n GLN 377 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kn0 s ASP 378 N -1.12 5.49 -0.29 1.08 1.11 -1.26 -3.68 116.67 118.00 3kn0 s ASP 378 Ca 0.44 1.93 -0.12 0.00 0.18 0.00 0.00 52.55 54.98 3kn0 s ASP 378 Cb 0.23 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 3kn0 s ASP 378 CO 0.31 -1.37 0.23 -1.81 1.18 0.00 0.00 175.17 173.72 3kn0 s ASP 379 N -2.58 6.07 0.17 0.27 -0.00 -0.02 -4.77 116.67 115.81 3kn0 s ASP 379 Ca 0.66 -0.03 0.10 0.00 -0.00 0.00 0.00 52.55 53.28 3kn0 s ASP 379 Cb -0.19 -2.14 -0.04 0.00 -0.00 0.00 0.00 42.92 40.55 3kn0 s ASP 379 CO 0.38 -0.11 -0.22 0.00 -0.00 0.00 0.00 175.17 175.22 3kn0 s TYR 381 N -1.73 -0.02 0.05 0.00 1.51 -0.31 -1.38 117.35 115.47 3kn0 s TYR 381 Ca 0.17 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 3kn0 s TYR 381 Cb -0.07 0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.86 3kn0 s TYR 381 CO 0.08 -0.64 -0.22 0.15 -1.11 0.00 0.00 175.55 173.81 3kn0 s LYS 382 N -3.84 1.92 -0.14 -0.62 1.02 -0.49 -0.89 119.74 116.69 3kn0 s LYS 382 Ca 0.05 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.68 3kn0 s LYS 382 Cb 0.03 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3kn0 s LYS 382 CO -0.11 0.52 1.52 0.12 -0.92 0.00 0.00 175.35 176.49 3kn0 s PHE 383 N -0.89 2.27 -0.40 3.18 5.36 -1.26 -0.86 117.98 125.38 3kn0 s PHE 383 Ca 0.14 0.54 0.03 0.00 -0.96 0.00 0.00 56.93 56.67 3kn0 s PHE 383 Cb -0.10 -3.82 0.56 0.00 -0.34 0.00 0.00 43.02 39.31 3kn0 s PHE 383 CO 0.04 -2.93 1.81 0.00 -1.46 0.00 0.00 175.22 172.68 3kn0 n ALA 384 N 7.40 5.24 -3.28 11.12 0.00 0.56 -4.39 120.51 137.17 3kn0 n ALA 384 Ca 0.17 -2.54 -0.30 0.00 0.00 0.00 0.00 53.44 50.77 3kn0 n ALA 384 Cb 0.44 -1.41 -0.17 0.00 0.00 0.00 0.00 19.45 18.31 3kn0 n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kn0 s ILE 385 N -2.95 1.84 0.08 0.00 1.01 -1.26 -1.52 121.20 118.40 3kn0 s ILE 385 Ca 0.50 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3kn0 s ILE 385 Cb 0.41 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3kn0 s ILE 385 CO 0.09 0.51 0.05 -0.94 0.00 0.00 0.00 174.94 174.65 3kn0 s SER 386 N 0.42 0.35 0.40 3.58 1.04 -0.62 -4.72 113.70 114.14 3kn0 s SER 386 Ca -0.18 -0.95 -0.25 0.00 0.48 0.00 0.00 55.95 55.04 3kn0 s SER 386 Cb -0.17 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.12 3kn0 s SER 386 CO 0.08 -0.67 1.17 -1.58 0.98 0.00 0.00 173.24 173.21 3kn0 s GLN 387 N -3.93 4.07 0.04 4.02 0.74 -1.26 -0.98 119.66 122.37 3kn0 s GLN 387 Ca 0.10 1.83 0.05 0.00 0.05 0.00 0.00 55.36 57.40 3kn0 s GLN 387 Cb 0.07 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.47 3kn0 s GLN 387 CO -0.07 -0.30 -0.14 0.45 -0.55 0.00 0.00 175.29 174.67 3kn0 s SER 388 N -1.13 1.67 0.00 6.67 0.15 0.16 -4.73 113.70 116.49 3kn0 s SER 388 Ca 0.57 -0.47 0.11 0.00 0.70 0.00 0.00 55.95 56.85 3kn0 s SER 388 Cb -0.31 -0.10 0.13 0.00 -1.71 0.00 0.00 66.02 64.03 3kn0 s SER 388 CO 0.38 0.02 0.92 -1.54 1.20 0.00 0.00 173.24 174.23 3kn0 n SER 389 N 1.84 2.10 -0.27 5.45 3.41 -1.26 -2.54 113.62 122.35 3kn0 n SER 389 Ca -0.18 -1.56 0.08 0.00 -0.26 0.00 0.00 58.87 56.95 3kn0 n SER 389 Cb 0.55 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.62 3kn0 n SER 389 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kn0 n THR 390 N 0.60 1.99 0.00 6.66 -2.24 -1.26 -4.86 114.28 115.18 3kn0 n THR 390 Ca 0.07 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 3kn0 n THR 390 Cb 0.30 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3kn0 n THR 390 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kn0 n GLY 391 N -1.31 0.25 3.73 3.38 0.00 -1.24 -4.51 105.19 105.49 3kn0 n GLY 391 Ca 0.17 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 3kn0 n GLY 391 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kn0 s THR 392 N -1.08 3.84 -0.18 2.61 2.01 0.19 -4.32 115.64 118.72 3kn0 s THR 392 Ca 0.00 1.52 -0.00 0.00 0.31 0.00 0.00 61.69 63.52 3kn0 s THR 392 Cb 0.00 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.58 3kn0 s THR 392 CO 0.00 0.23 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.40 3kn0 s VAL 393 N 0.05 1.30 -0.81 3.82 1.01 0.87 -1.20 120.40 125.44 3kn0 s VAL 393 Ca 0.52 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 3kn0 s VAL 393 Cb -0.30 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 34.73 3kn0 s VAL 393 CO 0.34 0.12 1.07 -0.04 0.00 0.00 0.00 175.10 176.58 3kn0 s MET 394 N 1.55 3.38 0.00 2.72 -1.94 -0.24 -0.67 119.30 124.10 3kn0 s MET 394 Ca -0.00 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 3kn0 s MET 394 Cb -0.16 -4.64 0.00 0.00 2.01 0.00 0.00 34.83 32.04 3kn0 s MET 394 CO -0.08 -1.81 0.00 0.41 -0.01 0.00 0.00 175.02 173.53 3kn0 n GLY 395 N 5.50 -0.45 0.37 -0.03 0.00 -0.93 -1.15 105.19 108.49 3kn0 n GLY 395 Ca 0.12 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.45 3kn0 n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kn0 h ALA 396 N -1.63 1.54 0.00 4.61 0.00 0.21 -1.65 119.26 122.34 3kn0 h ALA 396 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kn0 h ALA 396 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kn0 h ALA 396 CO 0.00 0.30 -0.15 -0.39 0.00 0.00 0.00 179.25 179.00 3kn0 h VAL 397 N 1.00 0.54 0.19 0.00 -1.51 -1.42 -0.58 116.25 114.46 3kn0 h VAL 397 Ca 0.42 -0.74 -0.34 0.00 -1.23 0.00 0.00 66.70 64.82 3kn0 h VAL 397 Cb 0.30 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3kn0 h VAL 397 CO -0.18 0.15 -1.61 0.40 -1.23 0.00 0.00 177.57 175.10 3kn0 h ILE 398 N 0.00 1.10 0.00 7.19 1.08 -1.60 -3.27 117.51 122.00 3kn0 h ILE 398 Ca -0.00 -2.65 -0.00 0.00 -0.39 0.00 0.00 64.86 61.82 3kn0 h ILE 398 Cb 0.48 2.84 -0.00 0.00 -3.07 0.00 0.00 36.82 37.07 3kn0 h ILE 398 CO 0.02 0.84 -0.00 0.24 -0.69 0.00 0.00 178.15 178.56 3kn0 h MET 399 N 0.11 0.00 0.00 2.37 2.86 -0.81 -2.09 114.93 117.36 3kn0 h MET 399 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3kn0 h MET 399 Cb 2.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.76 3kn0 h MET 399 CO 0.20 0.00 0.00 0.93 1.06 0.00 0.00 176.91 179.11 3kn0 h GLU 400 N 0.00 0.00 0.00 1.72 5.08 -1.17 -2.03 114.58 118.17 3kn0 h GLU 400 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kn0 h GLU 400 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kn0 h GLU 400 CO 0.00 0.00 -0.51 0.41 -1.00 0.00 0.00 179.01 177.91 3kn0 n GLY 401 N -0.05 -1.41 3.13 -3.84 0.00 -0.79 -4.21 105.19 98.03 3kn0 n GLY 401 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 3kn0 n GLY 401 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kn0 s PHE 402 N -3.12 0.73 -0.25 1.61 0.40 -0.76 -1.71 117.98 114.89 3kn0 s PHE 402 Ca 0.08 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.29 3kn0 s PHE 402 Cb 0.14 -0.46 -0.03 0.00 0.51 0.00 0.00 43.02 43.19 3kn0 s PHE 402 CO 0.70 -0.23 0.47 -0.47 0.70 0.00 0.00 175.22 176.38 3kn0 s TYR 403 N -3.60 3.29 -0.19 0.36 5.04 0.57 -4.45 117.35 118.37 3kn0 s TYR 403 Ca 0.09 0.60 -0.02 0.00 -2.44 0.00 0.00 57.07 55.30 3kn0 s TYR 403 Cb 0.05 -2.65 -0.01 0.00 0.35 0.00 0.00 41.96 39.70 3kn0 s TYR 403 CO -0.06 -0.21 -0.08 0.08 -1.34 0.00 0.00 175.55 173.93 3kn0 s VAL 404 N 2.03 3.17 -0.29 3.14 1.01 -0.35 -2.07 120.40 127.04 3kn0 s VAL 404 Ca 0.20 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 3kn0 s VAL 404 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3kn0 s VAL 404 CO 0.09 0.47 0.15 -0.69 0.00 0.00 0.00 175.10 175.12 3kn0 s VAL 405 N 1.10 4.79 -0.82 2.92 1.01 0.17 0.01 120.40 129.58 3kn0 s VAL 405 Ca 0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 3kn0 s VAL 405 Cb -0.15 -3.36 0.18 0.00 0.00 0.00 0.00 36.38 33.06 3kn0 s VAL 405 CO -0.02 0.16 0.84 -0.36 0.00 0.00 0.00 175.10 175.72 3kn0 s PHE 406 N 1.66 3.52 -1.12 5.22 0.08 0.85 -0.46 117.98 127.74 3kn0 s PHE 406 Ca 0.06 -1.73 -0.14 0.00 0.12 0.00 0.00 56.93 55.23 3kn0 s PHE 406 Cb -0.16 -3.95 0.18 0.00 -0.57 0.00 0.00 43.02 38.52 3kn0 s PHE 406 CO 0.07 -1.14 1.31 0.34 -0.10 0.00 0.00 175.22 175.70 3kn0 s ASP 407 N 2.71 6.99 0.23 1.36 -1.08 -0.14 -2.29 116.67 124.46 3kn0 s ASP 407 Ca 0.20 -2.85 -0.06 0.00 -0.52 0.00 0.00 52.55 49.32 3kn0 s ASP 407 Cb -0.11 -2.37 0.22 0.00 -1.46 0.00 0.00 42.92 39.20 3kn0 s ASP 407 CO -0.07 -0.75 1.80 0.03 0.52 0.00 0.00 175.17 176.69 3kn0 h ARG 408 N 7.48 1.13 -0.32 4.34 3.08 -1.75 0.07 114.38 128.41 3kn0 h ARG 408 Ca 0.26 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3kn0 h ARG 408 Cb 0.91 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3kn0 h ARG 408 CO 1.17 0.92 0.16 0.00 -1.07 0.00 0.00 179.97 181.15 3kn0 h ALA 409 N 1.22 1.69 -0.30 0.04 0.00 -1.53 -2.22 119.26 118.15 3kn0 h ALA 409 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kn0 h ALA 409 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kn0 h ALA 409 CO -0.02 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.03 3kn0 n ARG 410 N -4.44 2.88 -3.86 0.00 1.74 -1.00 -4.99 116.66 106.99 3kn0 n ARG 410 Ca 0.02 -2.26 -0.26 0.00 -0.77 0.00 0.00 57.85 54.58 3kn0 n ARG 410 Cb 0.11 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3kn0 n ARG 410 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3kn0 n LYS 411 N 0.16 -3.10 -3.71 5.56 4.81 -0.13 -4.92 118.16 116.82 3kn0 n LYS 411 Ca 0.14 0.44 -0.11 0.00 -0.87 0.00 0.00 58.31 57.91 3kn0 n LYS 411 Cb 0.55 -4.52 -0.06 0.00 0.02 0.00 0.00 35.03 31.02 3kn0 n LYS 411 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3kn0 s ARG 412 N -6.36 0.90 -0.11 1.64 1.70 -0.35 -1.18 118.95 115.18 3kn0 s ARG 412 Ca 0.10 -0.55 0.04 0.00 -0.47 0.00 0.00 55.73 54.84 3kn0 s ARG 412 Cb -0.04 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3kn0 s ARG 412 CO 0.87 -0.31 -0.23 0.42 -1.08 0.00 0.00 175.30 174.97 3kn0 s ILE 413 N -2.92 2.05 0.01 4.99 1.01 0.24 -0.96 121.20 125.62 3kn0 s ILE 413 Ca -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.63 3kn0 s ILE 413 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3kn0 s ILE 413 CO -0.06 0.55 0.07 -0.83 0.00 0.00 0.00 174.94 174.68 3kn0 s GLY 414 N 0.48 2.00 -0.03 6.18 0.00 0.39 -0.67 107.32 115.67 3kn0 s GLY 414 Ca -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.69 3kn0 s GLY 414 CO 0.06 -0.81 -0.14 -1.36 0.00 0.00 0.00 173.10 170.85 3kn0 s PHE 415 N -1.22 1.35 -0.02 1.90 0.40 0.03 -0.66 117.98 119.76 3kn0 s PHE 415 Ca 0.24 -0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 3kn0 s PHE 415 Cb -0.12 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.51 3kn0 s PHE 415 CO 0.15 -0.11 0.24 0.00 0.70 0.00 0.00 175.22 176.20 3kn0 s ALA 416 N 0.02 -0.60 0.11 5.36 0.00 -0.88 -1.09 121.76 124.68 3kn0 s ALA 416 Ca -0.02 0.20 -0.33 0.00 0.00 0.00 0.00 51.96 51.81 3kn0 s ALA 416 Cb -0.09 0.03 -0.13 0.00 0.00 0.00 0.00 23.12 22.94 3kn0 s ALA 416 CO 0.01 -0.23 1.71 0.28 0.00 0.00 0.00 175.76 177.53 3kn0 n VAL 417 N 1.52 0.19 -2.36 0.00 0.31 -1.24 -0.32 118.33 116.43 3kn0 n VAL 417 Ca -0.21 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 3kn0 n VAL 417 Cb 0.56 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 3kn0 n VAL 417 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3kn0 s SER 418 N 1.94 7.08 0.12 4.52 0.15 -0.69 -1.53 113.70 125.30 3kn0 s SER 418 Ca 0.82 2.29 0.16 0.00 0.70 0.00 0.00 55.95 59.92 3kn0 s SER 418 Cb -0.62 -2.61 0.72 0.00 -1.71 0.00 0.00 66.02 61.80 3kn0 s SER 418 CO 0.40 -0.35 1.51 0.00 1.20 0.00 0.00 173.24 175.99 3kn0 n ALA 419 N 2.11 1.51 -0.51 5.45 0.00 -0.39 -2.56 120.51 126.11 3kn0 n ALA 419 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.55 3kn0 n ALA 419 Cb 0.44 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 18.75 3kn0 n ALA 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kn0 s HIS 421 N -1.85 3.13 0.07 0.00 -0.00 -1.06 -4.58 115.29 111.00 3kn0 s HIS 421 Ca 0.21 1.56 -0.30 0.00 -0.00 0.00 0.00 55.06 56.54 3kn0 s HIS 421 Cb 0.16 -3.40 -0.05 0.00 -0.00 0.00 0.00 32.58 29.29 3kn0 s HIS 421 CO 0.06 -1.26 0.95 0.08 -0.00 0.00 0.00 174.74 174.57 3kn0 s VAL 422 N -1.36 4.64 0.00 -5.38 1.01 -1.26 -5.03 120.40 113.02 3kn0 s VAL 422 Ca 0.55 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.56 3kn0 s VAL 422 Cb -0.32 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.76 3kn0 s VAL 422 CO 0.40 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.77 3kn0 n HIS 423 N 3.17 -0.60 -4.33 5.22 -0.00 -1.26 -4.71 115.22 112.71 3kn0 n HIS 423 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.59 3kn0 n HIS 423 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.45 3kn0 n HIS 423 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3kn0 n ASP 424 N -1.55 1.45 0.08 4.39 5.68 -1.20 -5.03 116.55 120.37 3kn0 n ASP 424 Ca 0.00 -2.32 0.11 0.00 -0.50 0.00 0.00 54.79 52.08 3kn0 n ASP 424 Cb 0.00 0.55 0.44 0.00 -1.14 0.00 0.00 41.12 40.97 3kn0 n ASP 424 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3kn0 n GLU 425 N -0.60 0.14 -0.05 0.11 0.28 -1.26 -3.72 120.64 115.54 3kn0 n GLU 425 Ca -0.05 0.30 -0.00 0.00 -0.16 0.00 0.00 57.16 57.25 3kn0 n GLU 425 Cb 0.37 -1.73 -0.16 0.00 1.43 0.00 0.00 31.44 31.35 3kn0 n GLU 425 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3kn0 n PHE 426 N -1.99 0.05 -3.96 -1.84 3.01 -1.26 -5.00 117.46 106.47 3kn0 n PHE 426 Ca 0.04 0.02 -0.09 0.00 1.01 0.00 0.00 57.45 58.42 3kn0 n PHE 426 Cb 0.26 -0.79 -0.11 0.00 -0.01 0.00 0.00 39.48 38.84 3kn0 n PHE 426 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3kn0 s ARG 427 N -2.96 0.37 0.09 -1.08 0.52 -1.24 -5.17 118.95 109.48 3kn0 s ARG 427 Ca -0.09 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 3kn0 s ARG 427 Cb 0.10 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 3kn0 s ARG 427 CO 0.86 -0.07 -0.08 -0.08 0.02 0.00 0.00 175.30 175.96 3kn0 s THR 428 N -1.57 0.74 0.96 0.02 -1.32 -1.26 -3.23 115.64 109.97 3kn0 s THR 428 Ca -0.15 -1.76 -0.11 0.00 -1.21 0.00 0.00 61.69 58.46 3kn0 s THR 428 Cb -0.08 -1.47 0.17 0.00 -1.51 0.00 0.00 72.50 69.61 3kn0 s THR 428 CO -0.01 -0.74 1.09 0.00 -2.21 0.00 0.00 174.62 172.75 3kn0 s ALA 429 N -3.05 1.07 0.04 11.08 0.00 -1.26 -4.91 121.76 124.73 3kn0 s ALA 429 Ca 0.08 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 3kn0 s ALA 429 Cb 0.01 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.91 3kn0 s ALA 429 CO -0.03 -2.78 0.40 0.00 0.00 0.00 0.00 175.76 173.36 3kn0 s ALA 430 N -2.76 -0.99 -0.16 0.00 0.00 -0.83 -4.97 121.76 112.05 3kn0 s ALA 430 Ca 0.65 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 3kn0 s ALA 430 Cb -0.21 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.29 3kn0 s ALA 430 CO 0.59 -0.44 0.03 0.08 0.00 0.00 0.00 175.76 176.02 3kn0 s VAL 431 N -2.39 0.46 0.04 0.00 1.01 -1.26 -0.41 120.40 117.85 3kn0 s VAL 431 Ca -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3kn0 s VAL 431 Cb -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3kn0 s VAL 431 CO -0.02 -0.10 -0.08 -1.61 0.00 0.00 0.00 175.10 173.29 3kn0 s GLU 432 N 1.90 0.56 0.05 2.72 2.02 -0.42 -4.83 118.70 120.69 3kn0 s GLU 432 Ca 0.01 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.98 3kn0 s GLU 432 Cb -0.16 -0.36 0.09 0.00 0.10 0.00 0.00 34.13 33.81 3kn0 s GLU 432 CO -0.07 0.07 1.20 0.20 0.02 0.00 0.00 175.26 176.67 3kn0 s GLY 433 N -1.51 -0.13 0.38 -1.39 0.00 -1.26 -0.49 107.32 102.92 3kn0 s GLY 433 Ca -0.08 0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.77 3kn0 s GLY 433 CO 0.01 3.19 0.54 2.56 0.00 0.00 0.00 173.10 179.39 3kn0 s PRO 434 N -2.23 3.04 -0.02 2.90 0.04 -1.26 -5.08 135.00 132.38 3kn0 s PRO 434 Ca 0.23 -0.93 0.04 0.00 0.04 0.00 0.00 61.00 60.37 3kn0 s PRO 434 Cb 0.00 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 3kn0 s PRO 434 CO 0.00 -0.09 -0.14 -0.06 0.04 0.00 0.00 177.00 176.76 3kn0 s PHE 435 N -2.30 1.29 -0.21 0.56 0.40 0.15 -4.94 117.98 112.93 3kn0 s PHE 435 Ca 0.48 -0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 56.22 3kn0 s PHE 435 Cb -0.10 -0.86 -0.00 0.00 0.51 0.00 0.00 43.02 42.57 3kn0 s PHE 435 CO 0.33 -0.07 1.21 0.08 0.70 0.00 0.00 175.22 177.47 3kn0 s VAL 436 N -0.12 4.36 -0.06 -0.44 1.01 -1.26 -0.61 120.40 123.28 3kn0 s VAL 436 Ca 0.01 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.63 3kn0 s VAL 436 Cb -0.08 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3kn0 s VAL 436 CO 0.00 -0.21 -0.06 -0.89 0.00 0.00 0.00 175.10 173.93 3kn0 s THR 437 N 3.58 0.73 0.12 3.92 2.01 0.58 -4.93 115.64 121.65 3kn0 s THR 437 Ca 0.52 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 3kn0 s THR 437 Cb -0.19 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 3kn0 s THR 437 CO 0.14 0.28 0.31 -0.76 -0.69 0.00 0.00 174.62 173.89 3kn0 s LEU 438 N 1.01 4.30 -1.41 4.42 1.43 -1.26 -4.21 118.68 122.96 3kn0 s LEU 438 Ca -0.09 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 3kn0 s LEU 438 Cb -0.14 -3.12 0.08 0.00 0.03 0.00 0.00 46.19 43.04 3kn0 s LEU 438 CO -0.00 0.08 0.63 0.47 0.23 0.00 0.00 176.35 177.76 3kn0 n ASP 439 N -0.04 -4.04 0.22 2.29 8.00 -1.26 -4.84 116.55 116.88 3kn0 n ASP 439 Ca -0.04 -0.54 0.15 0.00 0.71 0.00 0.00 54.79 55.07 3kn0 n ASP 439 Cb 0.52 -3.31 0.77 0.00 -0.02 0.00 0.00 41.12 39.08 3kn0 n ASP 439 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3kn0 h MET 440 N -1.28 0.00 0.00 -1.24 2.86 -2.00 -1.14 114.93 112.13 3kn0 h MET 440 Ca -0.49 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 3kn0 h MET 440 Cb 1.32 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 3kn0 h MET 440 CO 0.59 0.00 -0.09 0.93 1.06 0.00 0.00 176.91 179.41 3kn0 h GLU 441 N 0.00 0.00 -0.00 1.72 4.39 -1.98 -2.07 114.58 116.64 3kn0 h GLU 441 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kn0 h GLU 441 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3kn0 h GLU 441 CO 0.00 0.09 -0.04 -0.25 -1.16 0.00 0.00 179.01 177.64 3kn0 n ASP 442 N -3.21 0.15 0.12 1.42 8.00 -0.43 -2.93 116.55 119.66 3kn0 n ASP 442 Ca 0.01 -0.30 0.12 0.00 0.71 0.00 0.00 54.79 55.33 3kn0 n ASP 442 Cb 0.36 -0.20 0.28 0.00 -0.02 0.00 0.00 41.12 41.53 3kn0 n ASP 442 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kn0 s GLY 444 N -3.77 2.97 -0.04 0.00 0.00 -1.15 -4.00 107.32 101.33 3kn0 s GLY 444 Ca 0.08 0.58 -0.16 0.00 0.00 0.00 0.00 44.72 45.22 3kn0 s GLY 444 CO 0.65 1.09 0.42 -0.47 0.00 0.00 0.00 173.10 174.80 3kn0 s TYR 445 N -1.39 3.66 -0.14 1.90 5.04 -1.26 -4.99 117.35 120.17 3kn0 s TYR 445 Ca 0.45 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 56.04 3kn0 s TYR 445 Cb -0.23 -2.37 0.02 0.00 0.35 0.00 0.00 41.96 39.74 3kn0 s TYR 445 CO 0.28 0.49 -0.15 -0.80 -1.34 0.00 0.00 175.55 174.03 3kn0 s ASN 446 N -0.55 2.71 0.00 4.32 0.01 -1.26 -4.96 114.94 115.21 3kn0 s ASN 446 Ca 0.24 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 3kn0 s ASN 446 Cb -0.16 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.29 3kn0 s ASN 446 CO 0.12 -0.03 0.41 -0.38 -1.51 0.00 0.00 177.10 175.71