#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn0 s SER 59 N 0.00 0.15 -0.64 1.61 1.04 -1.26 -1.87 113.70 112.72 3kn0 s SER 59 Ca 0.00 0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.88 3kn0 s SER 59 Cb 0.00 0.32 0.19 0.00 0.10 0.00 0.00 66.02 66.64 3kn0 s SER 59 CO 0.00 -0.19 0.55 0.49 0.98 0.00 0.00 173.24 175.07 3kn0 n PHE 60 N 4.66 2.71 0.29 5.02 3.01 -1.26 -4.95 117.46 126.94 3kn0 n PHE 60 Ca -0.18 -4.12 0.14 0.00 1.01 0.00 0.00 57.45 54.30 3kn0 n PHE 60 Cb 0.51 -0.50 0.86 0.00 -0.01 0.00 0.00 39.48 40.35 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 3.98 0.60 0.00 -4.37 2.07 -1.98 -1.50 116.25 115.05 3kn0 h VAL 61 Ca 0.17 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3kn0 h VAL 61 Cb 0.75 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3kn0 h VAL 61 CO 0.70 0.01 0.00 -1.84 0.02 0.00 0.00 177.57 176.46 3kn0 n GLU 62 N -3.93 0.18 -0.00 1.57 0.00 -1.26 -3.39 120.64 113.80 3kn0 n GLU 62 Ca -0.03 0.24 0.05 0.00 0.00 0.00 0.00 57.16 57.42 3kn0 n GLU 62 Cb 0.09 -1.74 -0.07 0.00 0.00 0.00 0.00 31.44 29.72 3kn0 n GLU 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kn0 n MET 63 N -2.06 2.07 -1.78 3.44 2.81 -0.60 -4.43 117.12 116.57 3kn0 n MET 63 Ca 0.05 -0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 3kn0 n MET 63 Cb 0.34 -1.12 -0.02 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.34 2.09 -1.10 2.03 1.01 -0.98 -2.43 120.40 118.69 3kn0 s VAL 64 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3kn0 s VAL 64 Cb 0.08 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3kn0 s VAL 64 CO 0.44 0.01 0.00 0.47 0.00 0.00 0.00 175.10 176.02 3kn0 n ASP 65 N 2.65 -4.01 -0.41 3.32 10.43 -1.19 -4.92 116.55 122.42 3kn0 n ASP 65 Ca 0.10 0.08 0.10 0.00 2.57 0.00 0.00 54.79 57.64 3kn0 n ASP 65 Cb 0.37 -3.03 0.40 0.00 1.84 0.00 0.00 41.12 40.70 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 -0.18 1.24 -4.68 -2.24 6.94 -1.00 -4.82 115.26 110.50 3kn0 n ASN 66 Ca -0.14 -1.66 -0.28 0.00 -0.02 0.00 0.00 54.58 52.48 3kn0 n ASN 66 Cb 0.54 -0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.80 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 -1.53 3.41 0.05 -4.53 1.43 -0.55 -4.38 118.68 112.58 3kn0 s LEU 67 Ca 0.30 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3kn0 s LEU 67 Cb 0.16 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3kn0 s LEU 67 CO 0.24 0.13 -0.01 -0.13 0.23 0.00 0.00 176.35 176.80 3kn0 s ARG 68 N -2.66 0.60 0.00 1.70 0.52 -0.86 -0.26 118.95 117.99 3kn0 s ARG 68 Ca 0.27 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 3kn0 s ARG 68 Cb -0.10 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.58 3kn0 s ARG 68 CO 0.19 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.80 3kn0 n GLY 69 N 0.21 0.68 3.57 -3.53 0.00 -1.26 -0.43 105.19 104.43 3kn0 n GLY 69 Ca -0.15 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.86 1.44 0.41 1.61 -2.85 -1.03 -4.73 119.74 113.72 3kn0 s LYS 70 Ca 0.00 -0.64 0.13 0.00 -1.00 0.00 0.00 55.97 54.47 3kn0 s LYS 70 Cb 0.00 0.59 0.98 0.00 -2.06 0.00 0.00 37.83 37.34 3kn0 s LYS 70 CO 0.00 -0.64 1.92 0.66 0.10 0.00 0.00 175.35 177.39 3kn0 h SER 71 N 2.00 0.46 0.41 0.03 4.64 -1.93 0.33 113.55 119.48 3kn0 h SER 71 Ca -0.29 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 60.93 3kn0 h SER 71 Cb 1.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3kn0 h SER 71 CO 0.33 0.25 -0.52 1.23 -0.87 0.00 0.00 176.83 177.25 3kn0 h GLY 72 N 0.49 0.13 0.00 -0.77 0.00 -1.95 -3.35 103.07 97.62 3kn0 h GLY 72 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3kn0 h GLY 72 CO -0.13 0.13 -0.14 -1.06 0.00 0.00 0.00 176.54 175.34 3kn0 n GLN 73 N -3.93 6.05 0.00 4.80 6.02 -1.01 -4.90 117.38 124.41 3kn0 n GLN 73 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3kn0 n GLN 73 Cb 0.54 -0.61 0.00 0.00 1.02 0.00 0.00 30.24 31.19 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 1.12 2.64 3.62 1.08 0.00 0.11 -4.93 105.19 108.82 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 -2.82 3.16 0.14 1.61 1.51 -1.26 -2.48 117.35 117.21 3kn0 s TYR 75 Ca 0.00 0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 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 0.22 -0.13 1.52 -1.11 0.00 0.00 175.55 176.05 3kn0 s TYR 76 N -0.09 1.39 0.09 2.71 -0.85 0.43 -1.03 117.35 120.00 3kn0 s TYR 76 Ca 0.04 -0.61 0.09 0.00 -0.52 0.00 0.00 57.07 56.07 3kn0 s TYR 76 Cb -0.13 -0.71 -0.03 0.00 0.38 0.00 0.00 41.96 41.47 3kn0 s TYR 76 CO 0.02 0.15 -0.23 0.54 -1.52 0.00 0.00 175.55 174.50 3kn0 s VAL 77 N -2.54 1.93 0.14 -3.49 0.11 -0.18 -2.04 120.40 114.33 3kn0 s VAL 77 Ca 0.12 -1.51 -0.30 0.00 -2.93 0.00 0.00 61.98 57.36 3kn0 s VAL 77 Cb -0.02 -1.71 -0.07 0.00 -1.53 0.00 0.00 36.38 33.05 3kn0 s VAL 77 CO 0.03 0.11 1.02 -0.70 -3.33 0.00 0.00 175.10 172.23 3kn0 s GLU 78 N -1.70 4.66 0.12 1.54 2.12 -1.26 -0.70 118.70 123.48 3kn0 s GLU 78 Ca 0.10 1.57 0.01 0.00 0.36 0.00 0.00 54.97 57.01 3kn0 s GLU 78 Cb -0.10 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3kn0 s GLU 78 CO 0.04 0.16 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.25 3kn0 s MET 79 N -0.16 0.90 0.01 4.30 -1.94 -0.12 -4.05 119.30 118.24 3kn0 s MET 79 Ca 0.48 -1.39 0.06 0.00 -1.71 0.00 0.00 55.69 53.13 3kn0 s MET 79 Cb -0.26 -0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.43 3kn0 s MET 79 CO 0.32 -0.09 -0.19 0.95 -0.01 0.00 0.00 175.02 176.00 3kn0 s THR 80 N -3.71 1.48 0.00 2.05 -4.23 -0.32 -1.09 115.64 109.82 3kn0 s THR 80 Ca 0.16 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.80 3kn0 s THR 80 Cb 0.06 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 3kn0 s THR 80 CO -0.02 0.32 -0.14 0.68 -0.54 0.00 0.00 174.62 174.92 3kn0 s VAL 81 N -0.57 1.08 0.00 2.29 -7.23 -0.22 -1.79 120.40 113.96 3kn0 s VAL 81 Ca 0.07 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 3kn0 s VAL 81 Cb -0.08 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 35.94 3kn0 s VAL 81 CO 0.00 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 3kn0 n GLY 82 N 2.50 -0.95 2.76 2.32 0.00 -0.62 -0.56 105.19 110.63 3kn0 n GLY 82 Ca -0.15 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.29 2.07 0.77 1.61 0.01 -1.26 -2.75 113.70 111.86 3kn0 s SER 83 Ca 0.00 -0.35 -0.12 0.00 1.31 0.00 0.00 55.95 56.79 3kn0 s SER 83 Cb 0.00 -0.50 0.06 0.00 0.21 0.00 0.00 66.02 65.79 3kn0 s SER 83 CO 0.00 -0.23 1.11 -2.16 0.41 0.00 0.00 173.24 172.37 3kn0 s PRO 84 N 1.93 2.13 0.11 12.44 0.04 -1.26 -1.14 135.00 149.24 3kn0 s PRO 84 Ca 0.03 1.32 -0.35 0.00 0.04 0.00 0.00 61.00 62.04 3kn0 s PRO 84 Cb -0.14 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 3kn0 s PRO 84 CO -0.06 -1.76 1.53 -2.30 0.04 0.00 0.00 177.00 174.45 3kn0 n PRO 85 N -3.38 1.82 -3.82 0.56 -0.02 -1.11 -4.91 135.00 124.14 3kn0 n PRO 85 Ca 0.10 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 3kn0 n PRO 85 Cb 0.52 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 3kn0 n PRO 85 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kn0 s GLN 86 N 1.08 3.25 0.11 -0.52 -0.21 0.28 -4.90 119.66 118.75 3kn0 s GLN 86 Ca 0.82 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 55.18 3kn0 s GLN 86 Cb -0.77 -3.22 -0.06 0.00 1.00 0.00 0.00 33.01 29.96 3kn0 s GLN 86 CO 0.42 -0.32 0.93 0.99 -2.12 0.00 0.00 175.29 175.19 3kn0 s THR 87 N 1.50 4.51 -0.01 -0.19 2.01 -1.26 -1.06 115.64 121.14 3kn0 s THR 87 Ca 0.04 2.00 -0.07 0.00 0.31 0.00 0.00 61.69 63.97 3kn0 s THR 87 Cb -0.16 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.06 3kn0 s THR 87 CO 0.00 0.34 0.13 -0.76 -0.69 0.00 0.00 174.62 173.64 3kn0 s LEU 88 N -0.11 1.57 -0.18 4.42 1.43 -0.25 -4.95 118.68 120.60 3kn0 s LEU 88 Ca 0.45 -0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 3kn0 s LEU 88 Cb -0.23 0.62 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 3kn0 s LEU 88 CO 0.29 -0.32 0.46 0.20 0.23 0.00 0.00 176.35 177.21 3kn0 s ASN 89 N -1.16 6.54 -0.13 2.29 0.02 -1.26 -0.94 114.94 120.29 3kn0 s ASN 89 Ca -0.12 0.64 0.02 0.00 -1.02 0.00 0.00 52.86 52.38 3kn0 s ASN 89 Cb -0.07 -2.26 0.01 0.00 0.02 0.00 0.00 41.25 38.95 3kn0 s ASN 89 CO 0.01 -0.09 -0.19 -0.63 0.02 0.00 0.00 177.10 176.22 3kn0 s ILE 90 N 1.22 1.86 0.14 0.60 -1.09 0.13 0.01 121.20 124.07 3kn0 s ILE 90 Ca 0.22 -0.86 -0.31 0.00 -2.23 0.00 0.00 60.65 57.47 3kn0 s ILE 90 Cb -0.15 -1.67 -0.11 0.00 -1.58 0.00 0.00 42.46 38.96 3kn0 s ILE 90 CO 0.09 0.51 1.80 -0.22 -1.23 0.00 0.00 174.94 175.89 3kn0 s LEU 91 N 0.93 4.39 -0.37 2.97 2.96 0.30 -1.01 118.68 128.85 3kn0 s LEU 91 Ca -0.06 2.77 -0.26 0.00 -0.22 0.00 0.00 54.13 56.36 3kn0 s LEU 91 Cb -0.15 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.98 3kn0 s LEU 91 CO -0.03 -0.99 0.94 -0.69 -1.32 0.00 0.00 176.35 174.26 3kn0 s VAL 92 N 2.39 4.57 -0.26 1.68 1.01 -0.20 -0.07 120.40 129.52 3kn0 s VAL 92 Ca 0.79 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.96 3kn0 s VAL 92 Cb -0.46 -4.35 0.07 0.00 0.00 0.00 0.00 36.38 31.64 3kn0 s VAL 92 CO 0.35 -0.56 0.01 -0.62 0.00 0.00 0.00 175.10 174.29 3kn0 s ASP 93 N 1.90 3.81 0.00 3.32 2.15 -0.62 -4.32 116.67 122.91 3kn0 s ASP 93 Ca 0.39 -1.33 0.31 0.00 0.43 0.00 0.00 52.55 52.34 3kn0 s ASP 93 Cb -0.12 -1.03 1.78 0.00 -0.30 0.00 0.00 42.92 43.25 3kn0 s ASP 93 CO 0.19 -0.31 2.15 0.35 -0.17 0.00 0.00 175.17 177.38 3kn0 n THR 94 N 4.75 0.00 -0.04 1.71 -2.24 -1.26 -0.90 114.28 116.30 3kn0 n THR 94 Ca -0.07 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 3kn0 n THR 94 Cb 0.44 -0.40 0.28 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.00 2.11 3.53 3.38 0.00 -1.26 -4.25 105.19 109.69 3kn0 n GLY 95 Ca 0.23 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.20 0.45 -0.02 1.61 1.04 -1.22 -4.99 113.70 109.35 3kn0 s SER 96 Ca 0.45 -1.26 0.04 0.00 0.48 0.00 0.00 55.95 55.65 3kn0 s SER 96 Cb 0.24 0.63 0.05 0.00 0.10 0.00 0.00 66.02 67.05 3kn0 s SER 96 CO 0.32 -1.24 0.87 -1.20 0.98 0.00 0.00 173.24 172.98 3kn0 n SER 97 N -0.97 0.95 -4.62 7.02 7.64 -1.26 -1.08 113.62 121.30 3kn0 n SER 97 Ca -0.01 -1.89 -0.34 0.00 1.01 0.00 0.00 58.87 57.65 3kn0 n SER 97 Cb 0.62 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.03 4.99 -0.37 6.43 -0.87 -1.26 -4.48 114.94 118.35 3kn0 s ASN 98 Ca 0.06 0.05 -0.17 0.00 -1.57 0.00 0.00 52.86 51.23 3kn0 s ASN 98 Cb 0.05 -1.42 0.00 0.00 -0.02 0.00 0.00 41.25 39.86 3kn0 s ASN 98 CO 0.01 0.34 0.45 0.12 -2.57 0.00 0.00 177.10 175.45 3kn0 s PHE 99 N -0.67 3.18 -0.02 2.20 5.99 -1.26 -1.45 117.98 125.94 3kn0 s PHE 99 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 56.93 57.03 3kn0 s PHE 99 Cb -0.12 -2.86 0.01 0.00 0.00 0.00 0.00 43.02 40.05 3kn0 s PHE 99 CO 0.02 -0.56 -0.06 0.00 -0.00 0.00 0.00 175.22 174.62 3kn0 s ALA 100 N 2.23 0.61 0.02 11.12 0.00 -0.40 -1.43 121.76 133.91 3kn0 s ALA 100 Ca 0.15 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3kn0 s ALA 100 Cb -0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3kn0 s ALA 100 CO 0.13 0.08 -0.10 0.14 0.00 0.00 0.00 175.76 176.01 3kn0 s VAL 101 N 0.31 0.77 0.24 0.00 -7.23 -0.31 0.32 120.40 114.50 3kn0 s VAL 101 Ca -0.04 -0.71 -0.31 0.00 -1.81 0.00 0.00 61.98 59.11 3kn0 s VAL 101 Cb -0.08 -0.71 -0.13 0.00 0.56 0.00 0.00 36.38 36.02 3kn0 s VAL 101 CO -0.00 0.01 1.44 0.61 -0.31 0.00 0.00 175.10 176.85 3kn0 n GLY 102 N 2.26 0.86 0.22 2.32 0.00 0.30 -0.27 105.19 110.88 3kn0 n GLY 102 Ca -0.17 0.51 0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 2.06 1.86 -3.46 4.61 0.00 -0.20 -0.67 120.51 124.71 3kn0 n ALA 103 Ca 0.12 -1.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.08 3kn0 n ALA 103 Cb 0.32 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.88 -1.55 0.20 0.00 0.00 -1.22 -4.79 121.76 113.53 3kn0 s ALA 104 Ca 0.08 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 3kn0 s ALA 104 Cb 0.07 -0.03 -0.16 0.00 0.00 0.00 0.00 23.12 23.00 3kn0 s ALA 104 CO 0.01 -0.34 0.94 -2.30 0.00 0.00 0.00 175.76 174.06 3kn0 n PRO 105 N 1.07 0.81 -3.77 0.00 -0.02 -1.26 -4.96 135.00 126.87 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 0.57 -1.61 -0.11 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.65 -0.32 0.65 6.00 2.46 -1.26 -5.05 115.29 117.11 3kn0 s HIS 106 Ca 0.68 0.78 0.33 0.00 0.47 0.00 0.00 55.06 57.32 3kn0 s HIS 106 Cb -0.86 0.11 1.80 0.00 -0.13 0.00 0.00 32.58 33.50 3kn0 s HIS 106 CO 0.56 -0.16 2.05 -1.00 -2.47 0.00 0.00 174.74 173.72 3kn0 h PRO 107 N 5.88 0.00 -0.38 2.88 0.13 -2.00 -0.71 132.00 137.81 3kn0 h PRO 107 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3kn0 h PRO 107 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kn0 h PRO 107 CO 0.33 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.29 3kn0 n PHE 108 N -3.17 0.49 -4.68 1.56 0.99 -1.26 -4.90 117.46 106.48 3kn0 n PHE 108 Ca -0.01 -0.27 -0.33 0.00 -0.00 0.00 0.00 57.45 56.84 3kn0 n PHE 108 Cb 0.33 -0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.66 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 -1.36 2.71 0.00 4.37 1.43 -0.27 -4.73 118.68 120.83 3kn0 s LEU 109 Ca 0.36 -0.34 0.20 0.00 -1.03 0.00 0.00 54.13 53.32 3kn0 s LEU 109 Cb 0.21 -1.62 0.36 0.00 0.03 0.00 0.00 46.19 45.17 3kn0 s LEU 109 CO 0.29 0.14 1.31 0.00 0.23 0.00 0.00 176.35 178.32 3kn0 n HIS 110 N 3.66 0.41 -3.55 0.29 1.44 -1.26 -4.51 115.22 111.70 3kn0 n HIS 110 Ca -0.18 -0.24 -0.13 0.00 -2.01 0.00 0.00 57.72 55.16 3kn0 n HIS 110 Cb 0.52 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.39 0.78 0.14 -1.40 1.70 -1.26 -5.17 118.95 112.35 3kn0 s ARG 111 Ca 0.33 0.20 -0.17 0.00 -0.47 0.00 0.00 55.73 55.62 3kn0 s ARG 111 Cb 0.20 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.99 3kn0 s ARG 111 CO 0.28 -0.24 0.44 1.52 -1.08 0.00 0.00 175.30 176.22 3kn0 s TYR 112 N -1.13 -0.25 -0.01 5.89 -0.85 -1.26 -4.90 117.35 114.83 3kn0 s TYR 112 Ca -0.05 -0.05 -0.30 0.00 -0.52 0.00 0.00 57.07 56.14 3kn0 s TYR 112 Cb -0.00 0.32 -0.07 0.00 0.38 0.00 0.00 41.96 42.59 3kn0 s TYR 112 CO 0.05 -0.75 1.76 -0.47 -1.52 0.00 0.00 175.55 174.62 3kn0 s TYR 113 N -3.80 1.79 -0.52 -3.49 5.04 0.15 -4.93 117.35 111.58 3kn0 s TYR 113 Ca 0.03 -0.01 -0.08 0.00 -2.44 0.00 0.00 57.07 54.57 3kn0 s TYR 113 Cb 0.01 -4.03 0.13 0.00 0.35 0.00 0.00 41.96 38.43 3kn0 s TYR 113 CO -0.11 -4.42 0.38 -0.65 -1.34 0.00 0.00 175.55 169.41 3kn0 s GLN 114 N 4.05 2.53 0.31 4.97 -0.21 -1.26 -4.42 119.66 125.61 3kn0 s GLN 114 Ca 0.78 -1.97 -0.00 0.00 0.02 0.00 0.00 55.36 54.19 3kn0 s GLN 114 Cb -0.37 -3.89 0.51 0.00 1.00 0.00 0.00 33.01 30.26 3kn0 s GLN 114 CO 0.34 -1.18 1.95 0.00 -2.12 0.00 0.00 175.29 174.27 3kn0 h ARG 115 N 8.09 1.02 0.00 2.91 3.08 -1.93 -2.06 114.38 125.49 3kn0 h ARG 115 Ca -0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3kn0 h ARG 115 Cb 1.05 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3kn0 h ARG 115 CO 0.80 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 180.38 3kn0 n GLN 116 N -4.45 0.07 -0.07 0.04 0.00 -1.26 -1.97 117.38 109.73 3kn0 n GLN 116 Ca 0.11 0.22 0.10 0.00 0.00 0.00 0.00 57.00 57.43 3kn0 n GLN 116 Cb 0.11 -1.50 0.13 0.00 0.00 0.00 0.00 30.24 28.98 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 -1.43 2.97 -4.39 2.61 4.77 -0.77 -4.89 117.00 115.87 3kn0 n LEU 117 Ca 0.05 -1.22 -0.37 0.00 -0.03 0.00 0.00 56.01 54.44 3kn0 n LEU 117 Cb 0.15 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.02 3kn0 n LEU 117 CO 0.13 0.57 -0.29 -0.55 -1.33 0.00 0.00 177.39 175.92 3kn0 s SER 118 N -1.58 5.04 0.24 -1.43 0.15 -0.83 -4.24 113.70 111.05 3kn0 s SER 118 Ca 0.29 -0.45 0.24 0.00 0.70 0.00 0.00 55.95 56.73 3kn0 s SER 118 Cb 0.19 -1.89 0.94 0.00 -1.71 0.00 0.00 66.02 63.55 3kn0 s SER 118 CO 0.27 -0.10 1.71 -1.54 1.20 0.00 0.00 173.24 174.78 3kn0 n SER 119 N 4.89 0.66 -0.96 5.45 3.41 -0.30 -2.62 113.62 124.16 3kn0 n SER 119 Ca -0.16 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 3kn0 n SER 119 Cb 0.50 -0.79 0.19 0.00 -0.26 0.00 0.00 64.21 63.84 3kn0 n SER 119 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kn0 n THR 120 N -2.21 0.59 -2.12 6.66 -2.24 -1.26 -4.97 114.28 108.73 3kn0 n THR 120 Ca 0.03 -0.79 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 3kn0 n THR 120 Cb 0.26 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.24 3.17 -0.12 4.78 5.04 -1.08 -4.46 117.35 123.44 3kn0 s TYR 121 Ca 0.32 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 3kn0 s TYR 121 Cb 0.19 -3.71 0.02 0.00 0.35 0.00 0.00 41.96 38.80 3kn0 s TYR 121 CO 0.26 -2.37 -0.13 1.03 -1.34 0.00 0.00 175.55 173.00 3kn0 s ARG 122 N 0.24 2.07 -0.17 4.97 0.52 -0.23 -4.98 118.95 121.36 3kn0 s ARG 122 Ca 0.61 -0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 55.06 3kn0 s ARG 122 Cb -0.39 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 3kn0 s ARG 122 CO 0.37 -0.16 0.91 0.34 0.02 0.00 0.00 175.30 176.78 3kn0 s ASP 123 N 1.30 7.04 0.00 0.23 2.15 -1.26 -0.54 116.67 125.59 3kn0 s ASP 123 Ca -0.01 1.28 0.27 0.00 0.43 0.00 0.00 52.55 54.53 3kn0 s ASP 123 Cb -0.14 -2.49 0.97 0.00 -0.30 0.00 0.00 42.92 40.96 3kn0 s ASP 123 CO -0.06 -0.47 1.69 0.18 -0.17 0.00 0.00 175.17 176.35 3kn0 n LEU 124 N 5.42 1.06 -3.82 -1.34 4.77 -0.59 -4.96 117.00 117.54 3kn0 n LEU 124 Ca 0.07 -0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 55.49 3kn0 n LEU 124 Cb 0.48 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3kn0 n LEU 124 CO 0.50 0.19 0.06 0.54 -1.33 0.00 0.00 177.39 177.34 3kn0 n ARG 125 N -0.44 -5.49 -3.76 3.23 1.74 -1.25 -4.98 116.66 105.71 3kn0 n ARG 125 Ca 0.15 0.62 -0.13 0.00 -0.77 0.00 0.00 57.85 57.72 3kn0 n ARG 125 Cb 0.33 -5.41 -0.10 0.00 -1.02 0.00 0.00 32.46 26.26 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 -6.38 0.43 0.50 5.56 2.20 -1.26 -5.05 119.74 115.73 3kn0 s LYS 126 Ca 0.43 0.37 0.06 0.00 -0.36 0.00 0.00 55.97 56.47 3kn0 s LYS 126 Cb -0.21 0.20 0.04 0.00 -1.51 0.00 0.00 37.83 36.35 3kn0 s LYS 126 CO 0.82 -0.07 0.69 0.20 -0.36 0.00 0.00 175.35 176.63 3kn0 s GLY 127 N -0.04 1.87 -0.22 5.54 0.00 -1.26 -0.69 107.32 112.51 3kn0 s GLY 127 Ca -0.02 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 42.92 3kn0 s GLY 127 CO 0.01 -1.39 0.53 0.54 0.00 0.00 0.00 173.10 172.78 3kn0 s VAL 128 N -2.56 -0.20 -0.21 1.40 0.11 -0.02 -4.83 120.40 114.08 3kn0 s VAL 128 Ca 0.58 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.68 3kn0 s VAL 128 Cb -0.09 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3kn0 s VAL 128 CO 0.36 0.03 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.58 3kn0 s TYR 129 N 1.80 2.90 -0.33 1.54 5.04 -1.26 -0.27 117.35 126.77 3kn0 s TYR 129 Ca -0.08 -1.33 0.03 0.00 -2.44 0.00 0.00 57.07 53.25 3kn0 s TYR 129 Cb -0.08 -2.02 0.10 0.00 0.35 0.00 0.00 41.96 40.30 3kn0 s TYR 129 CO -0.16 -0.68 0.04 0.08 -1.34 0.00 0.00 175.55 173.49 3kn0 s VAL 130 N 1.38 2.10 -0.19 3.14 1.01 -0.21 -5.03 120.40 122.60 3kn0 s VAL 130 Ca 0.05 -2.16 -0.13 0.00 0.00 0.00 0.00 61.98 59.74 3kn0 s VAL 130 Cb -0.14 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3kn0 s VAL 130 CO -0.08 -0.55 0.27 -2.16 0.00 0.00 0.00 175.10 172.59 3kn0 s PRO 131 N 1.01 4.21 0.00 2.72 0.04 -1.26 -1.70 135.00 140.01 3kn0 s PRO 131 Ca 0.09 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.19 3kn0 s PRO 131 Cb -0.19 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 3kn0 s PRO 131 CO -0.10 0.17 -0.13 0.71 0.04 0.00 0.00 177.00 177.69 3kn0 s TYR 132 N 0.71 1.13 0.66 0.56 2.02 0.68 -4.99 117.35 118.12 3kn0 s TYR 132 Ca 0.15 -0.25 0.38 0.00 -0.37 0.00 0.00 57.07 56.98 3kn0 s TYR 132 Cb -0.13 -0.71 2.07 0.00 -0.40 0.00 0.00 41.96 42.79 3kn0 s TYR 132 CO 0.04 -0.01 2.20 1.15 -1.57 0.00 0.00 175.55 177.36 3kn0 h THR 133 N 4.75 0.08 -0.33 -0.71 2.02 -2.01 0.22 112.91 116.93 3kn0 h THR 133 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3kn0 h THR 133 Cb 1.17 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3kn0 h THR 133 CO 0.48 0.00 0.00 1.67 0.37 0.00 0.00 175.52 178.04 3kn0 n GLN 134 N -3.14 2.29 0.00 6.66 7.27 -1.26 -5.00 117.38 124.20 3kn0 n GLN 134 Ca -0.02 -2.10 0.00 0.00 0.07 0.00 0.00 57.00 54.94 3kn0 n GLN 134 Cb 0.20 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.41 3kn0 n GLN 134 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kn0 n GLY 135 N 1.24 3.34 2.91 1.69 0.00 0.07 -4.74 105.19 109.70 3kn0 n GLY 135 Ca 0.16 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 3kn0 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kn0 s LYS 136 N -1.86 0.26 -0.01 1.61 1.02 -0.05 -0.23 119.74 120.48 3kn0 s LYS 136 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 3kn0 s LYS 136 Cb 0.00 -0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.03 3kn0 s LYS 136 CO 0.00 0.04 0.06 1.67 -0.92 0.00 0.00 175.35 176.20 3kn0 s TRP 137 N 0.06 0.03 -0.13 3.18 1.48 -0.69 0.40 118.94 123.26 3kn0 s TRP 137 Ca -0.00 -0.05 -0.01 0.00 -1.06 0.00 0.00 56.10 54.98 3kn0 s TRP 137 Cb -0.03 -0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.22 3kn0 s TRP 137 CO -0.00 -0.12 -0.09 -2.00 -4.06 0.00 0.00 176.95 170.68 3kn0 s GLU 138 N -0.58 3.42 0.20 3.25 2.56 0.27 -1.04 118.70 126.78 3kn0 s GLU 138 Ca -0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 54.97 54.24 3kn0 s GLU 138 Cb -0.04 -2.73 -0.03 0.00 2.00 0.00 0.00 34.13 33.34 3kn0 s GLU 138 CO 0.00 0.27 0.23 0.20 -0.56 0.00 0.00 175.26 175.40 3kn0 s GLY 139 N 0.23 1.04 -0.17 -1.50 0.00 0.62 -1.27 107.32 106.27 3kn0 s GLY 139 Ca -0.06 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 3kn0 s GLY 139 CO 0.04 -1.13 -0.14 -0.54 0.00 0.00 0.00 173.10 171.34 3kn0 s GLU 140 N -4.09 3.22 0.25 2.90 2.02 -0.22 -0.84 118.70 121.94 3kn0 s GLU 140 Ca 0.30 -0.73 -0.26 0.00 0.02 0.00 0.00 54.97 54.30 3kn0 s GLU 140 Cb 0.05 -2.70 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 3kn0 s GLU 140 CO 0.09 -0.05 0.87 -0.51 0.02 0.00 0.00 175.26 175.67 3kn0 s LEU 141 N 1.01 4.49 0.00 1.80 1.43 0.13 -0.35 118.68 127.18 3kn0 s LEU 141 Ca -0.01 1.76 -0.06 0.00 -1.03 0.00 0.00 54.13 54.78 3kn0 s LEU 141 Cb -0.15 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3kn0 s LEU 141 CO -0.03 0.08 0.31 0.61 0.23 0.00 0.00 176.35 177.55 3kn0 n GLY 142 N 1.08 1.24 3.14 -3.19 0.00 -0.75 -1.55 105.19 105.16 3kn0 n GLY 142 Ca -0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.49 0.60 0.22 2.61 -4.23 0.30 -0.60 115.64 112.05 3kn0 s THR 143 Ca 0.07 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 58.59 3kn0 s THR 143 Cb -0.01 -1.46 0.05 0.00 1.34 0.00 0.00 72.50 72.42 3kn0 s THR 143 CO 0.02 -0.80 0.89 -0.62 -0.54 0.00 0.00 174.62 173.58 3kn0 s ASP 144 N -2.76 -0.15 0.01 3.99 -1.08 -0.92 -1.07 116.67 114.69 3kn0 s ASP 144 Ca 0.07 -0.59 -0.27 0.00 -0.52 0.00 0.00 52.55 51.24 3kn0 s ASP 144 Cb 0.03 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 42.04 3kn0 s ASP 144 CO -0.04 -1.12 0.87 -0.76 0.52 0.00 0.00 175.17 174.63 3kn0 s LEU 145 N -3.02 4.39 0.00 -1.34 1.43 -1.26 -1.51 118.68 117.37 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 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 3kn0 s LEU 145 CO 0.05 -0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 175.64 3kn0 s VAL 146 N 0.58 1.30 0.11 -1.59 1.01 0.15 -1.59 120.40 120.36 3kn0 s VAL 146 Ca 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kn0 s VAL 146 Cb -0.20 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3kn0 s VAL 146 CO 0.25 0.29 -0.00 -0.44 0.00 0.00 0.00 175.10 175.20 3kn0 s SER 147 N -0.59 0.70 -0.31 3.32 0.01 -0.74 -0.93 113.70 115.15 3kn0 s SER 147 Ca 0.06 -1.11 0.01 0.00 1.31 0.00 0.00 55.95 56.22 3kn0 s SER 147 Cb -0.07 0.20 0.09 0.00 0.21 0.00 0.00 66.02 66.45 3kn0 s SER 147 CO -0.00 -0.61 0.06 -0.63 0.41 0.00 0.00 173.24 172.46 3kn0 s ILE 148 N -3.85 1.51 0.32 1.44 1.01 -1.26 -1.17 121.20 119.19 3kn0 s ILE 148 Ca 0.17 -1.73 0.09 0.00 0.00 0.00 0.00 60.65 59.18 3kn0 s ILE 148 Cb 0.07 -2.08 0.32 0.00 0.01 0.00 0.00 42.46 40.78 3kn0 s ILE 148 CO -0.02 -0.56 1.67 -0.65 0.00 0.00 0.00 174.94 175.38 3kn0 h PRO 149 N 7.88 0.32 -1.95 2.79 0.11 -1.91 -0.61 132.00 138.63 3kn0 h PRO 149 Ca -0.10 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.30 3kn0 h PRO 149 Cb 1.03 -0.07 -0.35 0.00 0.11 0.00 0.00 31.00 31.72 3kn0 h PRO 149 CO 0.48 0.21 0.15 0.72 -0.21 0.00 0.00 178.00 179.35 3kn0 n HIS 150 N -5.08 3.30 -2.06 0.65 8.25 -1.26 -4.94 115.22 114.07 3kn0 n HIS 150 Ca 0.27 -2.95 0.00 0.00 -0.26 0.00 0.00 57.72 54.78 3kn0 n HIS 150 Cb 0.84 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.37 4.36 3.75 -1.41 0.00 -0.24 -4.44 105.19 106.83 3kn0 n GLY 151 Ca 0.43 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3kn0 n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kn0 n PRO 152 N 0.00 2.38 -1.58 1.61 -0.02 -1.26 -4.84 135.00 131.30 3kn0 n PRO 152 Ca 0.00 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 3kn0 n PRO 152 Cb 0.00 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 30.90 3kn0 n PRO 152 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kn0 n ASN 153 N 0.31 4.70 -4.06 2.55 5.15 -1.26 -4.65 115.26 118.00 3kn0 n ASN 153 Ca 0.03 -2.76 -0.08 0.00 -0.60 0.00 0.00 54.58 51.17 3kn0 n ASN 153 Cb 0.39 -1.58 -0.09 0.00 -0.53 0.00 0.00 39.78 37.97 3kn0 n ASN 153 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kn0 s VAL 154 N 3.17 0.17 -0.07 3.44 -7.23 -1.26 -5.16 120.40 113.46 3kn0 s VAL 154 Ca 0.52 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 3kn0 s VAL 154 Cb 0.15 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.44 3kn0 s VAL 154 CO -0.07 -0.76 -0.15 -0.89 -0.31 0.00 0.00 175.10 172.93 3kn0 s THR 155 N -3.95 1.33 0.06 5.32 2.01 -1.26 -4.48 115.64 114.67 3kn0 s THR 155 Ca 0.12 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.60 3kn0 s THR 155 Cb 0.07 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 3kn0 s THR 155 CO -0.06 0.40 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.36 3kn0 s VAL 156 N 0.56 1.73 -0.28 3.82 1.01 -0.11 -4.91 120.40 122.21 3kn0 s VAL 156 Ca -0.15 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.37 3kn0 s VAL 156 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3kn0 s VAL 156 CO 0.05 0.17 0.52 -0.60 0.00 0.00 0.00 175.10 175.24 3kn0 s ARG 157 N -1.32 3.97 0.17 2.72 3.52 -1.26 0.30 118.95 127.05 3kn0 s ARG 157 Ca 0.08 0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.95 3kn0 s ARG 157 Cb -0.09 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 3kn0 s ARG 157 CO 0.02 -0.42 -0.12 0.00 -0.81 0.00 0.00 175.30 173.97 3kn0 s ALA 158 N 2.35 1.67 0.33 6.12 0.00 -0.57 -4.93 121.76 126.73 3kn0 s ALA 158 Ca 0.21 -1.56 -0.28 0.00 0.00 0.00 0.00 51.96 50.33 3kn0 s ALA 158 Cb -0.15 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 3kn0 s ALA 158 CO 0.10 -0.04 1.16 -0.80 0.00 0.00 0.00 175.76 176.18 3kn0 s ASN 159 N -3.23 6.92 -0.03 0.00 0.01 -1.26 -2.18 114.94 115.17 3kn0 s ASN 159 Ca 0.19 2.36 -0.00 0.00 -0.71 0.00 0.00 52.86 54.70 3kn0 s ASN 159 Cb 0.01 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.08 3kn0 s ASN 159 CO 0.03 -0.40 0.02 -0.63 -1.51 0.00 0.00 177.10 174.61 3kn0 s ILE 160 N -1.27 0.08 -0.38 0.60 1.01 0.23 -4.61 121.20 116.87 3kn0 s ILE 160 Ca 0.50 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 61.16 3kn0 s ILE 160 Cb -0.32 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3kn0 s ILE 160 CO 0.42 0.15 0.43 0.00 0.00 0.00 0.00 174.94 175.94 3kn0 s ALA 161 N 1.32 3.46 -0.51 9.38 0.00 -0.51 -1.82 121.76 133.08 3kn0 s ALA 161 Ca -0.06 -1.27 -0.26 0.00 0.00 0.00 0.00 51.96 50.37 3kn0 s ALA 161 Cb -0.13 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.06 3kn0 s ALA 161 CO -0.03 -1.32 1.00 0.00 0.00 0.00 0.00 175.76 175.42 3kn0 s ALA 162 N 2.18 3.16 -0.22 0.00 0.00 0.52 -1.16 121.76 126.25 3kn0 s ALA 162 Ca 0.14 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 3kn0 s ALA 162 Cb -0.16 -3.76 -0.01 0.00 0.00 0.00 0.00 23.12 19.18 3kn0 s ALA 162 CO 0.13 -2.28 1.37 0.42 0.00 0.00 0.00 175.76 175.41 3kn0 s ILE 163 N 4.09 4.06 -0.04 0.00 1.01 0.63 -1.06 121.20 129.90 3kn0 s ILE 163 Ca 0.37 1.24 0.15 0.00 0.00 0.00 0.00 60.65 62.41 3kn0 s ILE 163 Cb -0.10 -3.97 -0.23 0.00 0.01 0.00 0.00 42.46 38.18 3kn0 s ILE 163 CO 0.25 -0.30 0.29 0.35 0.00 0.00 0.00 174.94 175.53 3kn0 n THR 164 N 5.91 0.14 -3.78 2.92 -2.24 -0.40 -1.03 114.28 115.81 3kn0 n THR 164 Ca 0.15 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3kn0 n THR 164 Cb 0.45 0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.95 0.22 -0.05 -0.78 2.02 -1.13 -4.88 118.70 111.14 3kn0 s GLU 165 Ca -0.06 0.35 -0.16 0.00 0.02 0.00 0.00 54.97 55.13 3kn0 s GLU 165 Cb 0.09 0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.38 3kn0 s GLU 165 CO 0.62 -0.08 0.36 -1.54 0.02 0.00 0.00 175.26 174.65 3kn0 s SER 166 N 0.50 -0.28 -0.19 -0.19 1.04 -1.26 0.97 113.70 114.29 3kn0 s SER 166 Ca -0.03 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.70 3kn0 s SER 166 Cb -0.05 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3kn0 s SER 166 CO -0.03 -0.39 -0.10 -0.62 0.98 0.00 0.00 173.24 173.08 3kn0 s ASP 167 N -0.98 3.28 -1.52 7.02 -1.08 0.16 -4.79 116.67 118.76 3kn0 s ASP 167 Ca -0.10 -0.83 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 3kn0 s ASP 167 Cb -0.04 -1.21 0.00 0.00 -1.46 0.00 0.00 42.92 40.21 3kn0 s ASP 167 CO 0.04 -0.14 0.00 0.29 0.52 0.00 0.00 175.17 175.88 3kn0 n LYS 168 N 4.71 -1.71 -0.07 4.34 5.02 -1.26 -0.87 118.16 128.31 3kn0 n LYS 168 Ca -0.15 0.86 -0.06 0.00 -2.02 0.00 0.00 58.31 56.94 3kn0 n LYS 168 Cb 0.47 -5.34 -0.02 0.00 -0.02 0.00 0.00 35.03 30.12 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 -2.96 0.80 -2.69 2.13 7.35 -1.26 -4.35 117.46 116.49 3kn0 n PHE 169 Ca -0.18 0.35 -0.42 0.00 -0.76 0.00 0.00 57.45 56.44 3kn0 n PHE 169 Cb 0.59 -0.74 -0.03 0.00 0.35 0.00 0.00 39.48 39.66 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 -2.34 3.50 -0.19 -5.13 0.40 -1.26 -5.02 117.98 107.94 3kn0 s PHE 170 Ca -0.17 1.58 -0.09 0.00 -0.60 0.00 0.00 56.93 57.65 3kn0 s PHE 170 Cb 0.02 -3.19 -0.05 0.00 0.51 0.00 0.00 43.02 40.31 3kn0 s PHE 170 CO 0.26 -0.25 0.12 -1.50 0.70 0.00 0.00 175.22 174.55 3kn0 s ILE 171 N 2.11 5.28 -0.20 0.64 2.07 -1.26 -4.91 121.20 124.93 3kn0 s ILE 171 Ca 0.48 0.14 -0.37 0.00 -1.41 0.00 0.00 60.65 59.49 3kn0 s ILE 171 Cb -0.18 -3.39 -0.13 0.00 0.13 0.00 0.00 42.46 38.88 3kn0 s ILE 171 CO 0.17 0.46 1.85 -3.20 -1.91 0.00 0.00 174.94 172.31 3kn0 n ASN 172 N 3.38 2.85 0.00 4.50 4.05 -1.26 -2.57 115.26 126.21 3kn0 n ASN 172 Ca -0.16 0.97 0.00 0.00 0.45 0.00 0.00 54.58 55.83 3kn0 n ASN 172 Cb 0.52 -1.25 0.00 0.00 1.23 0.00 0.00 39.78 40.28 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 4.51 0.48 0.19 8.20 0.00 -1.26 -4.95 105.19 112.37 3kn0 n GLY 173 Ca 0.26 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.01 1.61 4.64 -1.86 -3.48 113.55 114.46 3kn0 h SER 174 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 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 0.00 -0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 3kn0 n ASN 175 N -2.96 -4.21 -4.53 4.97 5.15 -1.26 -4.95 115.26 107.47 3kn0 n ASN 175 Ca 0.04 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.70 3kn0 n ASN 175 Cb 0.52 -1.72 -0.12 0.00 -0.53 0.00 0.00 39.78 37.94 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 -1.61 2.76 -0.81 1.20 1.48 -1.26 -4.60 118.94 116.10 3kn0 s TRP 176 Ca 0.00 -0.12 0.09 0.00 -1.06 0.00 0.00 56.10 55.01 3kn0 s TRP 176 Cb 0.00 -1.59 0.25 0.00 -1.16 0.00 0.00 33.47 30.98 3kn0 s TRP 176 CO 0.00 0.29 1.20 0.39 -4.06 0.00 0.00 176.95 174.76 3kn0 n GLU 177 N 1.82 2.77 -3.87 3.25 4.71 0.10 -4.94 120.64 124.48 3kn0 n GLU 177 Ca -0.16 -1.92 -0.04 0.00 -0.01 0.00 0.00 57.16 55.02 3kn0 n GLU 177 Cb 0.52 -1.23 0.02 0.00 -1.01 0.00 0.00 31.44 29.75 3kn0 n GLU 177 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kn0 n GLY 178 N 0.37 0.66 2.97 0.62 0.00 -1.15 -0.54 105.19 108.12 3kn0 n GLY 178 Ca 0.10 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 3kn0 n GLY 178 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kn0 s ILE 179 N -2.06 0.56 -0.42 -0.61 2.07 0.15 -0.53 121.20 120.35 3kn0 s ILE 179 Ca 0.22 -0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 59.14 3kn0 s ILE 179 Cb -0.03 -0.49 0.11 0.00 0.13 0.00 0.00 42.46 42.17 3kn0 s ILE 179 CO 0.07 0.17 0.24 -0.22 -1.91 0.00 0.00 174.94 173.29 3kn0 s LEU 180 N 0.05 5.28 -0.37 8.50 2.96 0.89 -1.28 118.68 134.72 3kn0 s LEU 180 Ca -0.00 -1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 51.72 3kn0 s LEU 180 Cb -0.05 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3kn0 s LEU 180 CO -0.00 -0.57 1.12 -0.83 -1.32 0.00 0.00 176.35 174.75 3kn0 s GLY 181 N 2.05 1.44 0.00 7.98 0.00 -0.53 -1.58 107.32 116.68 3kn0 s GLY 181 Ca 0.06 -0.18 0.25 0.00 0.00 0.00 0.00 44.72 44.84 3kn0 s GLY 181 CO -0.02 2.36 1.43 1.04 0.00 0.00 0.00 173.10 177.90 3kn0 n LEU 182 N 7.30 2.58 0.00 0.66 4.77 -0.08 -4.21 117.00 128.01 3kn0 n LEU 182 Ca 0.12 -0.92 -0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3kn0 n LEU 182 Cb 0.48 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3kn0 n LEU 182 CO 0.64 0.46 0.00 0.00 -1.33 0.00 0.00 177.39 177.16 3kn0 n ALA 183 N 0.99 -0.00 -1.97 -1.18 0.00 -0.24 -4.94 120.51 113.18 3kn0 n ALA 183 Ca 0.16 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 3kn0 n ALA 183 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.78 3.58 0.57 0.00 1.51 -0.60 -4.68 117.35 116.95 3kn0 s TYR 184 Ca 0.00 1.20 0.27 0.00 -1.01 0.00 0.00 57.07 57.53 3kn0 s TYR 184 Cb -0.00 -2.63 1.58 0.00 -0.11 0.00 0.00 41.96 40.80 3kn0 s TYR 184 CO 0.00 -0.53 2.09 0.00 -1.11 0.00 0.00 175.55 176.01 3kn0 h ALA 185 N 0.06 1.93 -0.27 3.71 0.00 -1.88 -2.52 119.26 120.29 3kn0 h ALA 185 Ca -0.45 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3kn0 h ALA 185 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kn0 h ALA 185 CO 0.62 -0.31 0.23 1.49 0.00 0.00 0.00 179.25 181.28 3kn0 h GLU 186 N 0.00 0.00 -0.41 0.00 4.81 -1.88 -0.37 114.58 116.73 3kn0 h GLU 186 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kn0 h GLU 186 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 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 -4.13 1.49 -2.42 2.32 -5.35 -0.95 -4.63 119.36 105.70 3kn0 n ILE 187 Ca 0.04 -1.26 -0.37 0.00 -0.27 0.00 0.00 62.75 60.89 3kn0 n ILE 187 Cb 0.38 0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 38.49 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 -1.63 3.06 -0.08 -1.28 0.00 -0.15 -4.51 121.76 117.17 3kn0 s ALA 188 Ca 0.35 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 3kn0 s ALA 188 Cb 0.23 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3kn0 s ALA 188 CO 0.17 -0.39 0.05 1.03 0.00 0.00 0.00 175.76 176.62 3kn0 s ARG 189 N -2.54 3.11 0.31 0.00 1.81 -1.26 -2.47 118.95 117.91 3kn0 s ARG 189 Ca 0.60 -0.35 0.26 0.00 -1.72 0.00 0.00 55.73 54.51 3kn0 s ARG 189 Cb -0.25 -2.90 0.85 0.00 -0.45 0.00 0.00 34.95 32.19 3kn0 s ARG 189 CO 0.31 0.71 1.76 -1.00 -0.68 0.00 0.00 175.30 176.40 3kn0 h PRO 190 N 4.91 0.00 -2.73 3.54 0.13 -1.95 -3.47 132.00 132.43 3kn0 h PRO 190 Ca -0.52 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 3kn0 h PRO 190 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3kn0 h PRO 190 CO 0.57 0.00 0.40 0.16 -0.23 0.00 0.00 178.00 178.90 3kn0 s ASP 191 N -4.90 -0.08 0.00 1.44 -4.77 -1.03 -5.03 116.67 102.30 3kn0 s ASP 191 Ca 0.07 -0.77 0.12 0.00 -3.30 0.00 0.00 52.55 48.67 3kn0 s ASP 191 Cb 0.10 0.65 0.72 0.00 -1.09 0.00 0.00 42.92 43.30 3kn0 s ASP 191 CO 0.55 -1.27 1.15 -0.90 0.70 0.00 0.00 175.17 175.39 3kn0 n ASP 192 N -1.00 0.00 0.04 2.11 5.68 -1.25 -2.49 116.55 119.64 3kn0 n ASP 192 Ca -0.06 -0.39 0.14 0.00 -0.50 0.00 0.00 54.79 53.98 3kn0 n ASP 192 Cb 0.60 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.09 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 -0.99 0.34 -4.44 -1.12 3.41 -1.26 -4.54 113.62 105.02 3kn0 n SER 193 Ca 0.09 0.49 -0.44 0.00 -0.26 0.00 0.00 58.87 58.76 3kn0 n SER 193 Cb 0.04 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 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 -3.60 4.72 0.02 1.04 2.96 -1.04 -4.99 118.68 117.78 3kn0 s LEU 194 Ca 0.12 -1.27 -0.33 0.00 -0.22 0.00 0.00 54.13 52.44 3kn0 s LEU 194 Cb 0.16 -2.39 -0.12 0.00 0.50 0.00 0.00 46.19 44.35 3kn0 s LEU 194 CO 0.57 -1.31 1.83 1.21 -1.32 0.00 0.00 176.35 177.32 3kn0 n GLU 195 N 7.22 2.39 -1.35 1.98 2.13 -1.26 -4.89 120.64 126.86 3kn0 n GLU 195 Ca -0.00 0.87 -0.33 0.00 0.66 0.00 0.00 57.16 58.36 3kn0 n GLU 195 Cb 0.45 -2.73 0.10 0.00 0.27 0.00 0.00 31.44 29.53 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 3.23 2.11 0.17 5.31 0.02 -1.26 -4.52 135.00 140.06 3kn0 s PRO 196 Ca 0.87 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 63.28 3kn0 s PRO 196 Cb -0.61 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.19 3kn0 s PRO 196 CO 0.45 -1.81 1.70 0.35 -0.33 0.00 0.00 177.00 177.36 3kn0 h PHE 197 N -0.65 0.03 0.00 6.54 3.57 -1.81 -2.17 116.94 122.44 3kn0 h PHE 197 Ca -0.46 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 3kn0 h PHE 197 Cb 1.27 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 3kn0 h PHE 197 CO 0.51 -0.06 -0.22 0.35 -2.23 0.00 0.00 178.31 176.66 3kn0 h PHE 198 N 0.14 0.00 -0.32 0.41 3.57 -1.92 0.21 116.94 119.02 3kn0 h PHE 198 Ca 0.21 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 3kn0 h PHE 198 Cb 0.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3kn0 h PHE 198 CO -0.26 0.22 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.25 3kn0 h ASP 199 N 0.00 0.77 -0.43 0.41 3.32 -1.78 -1.61 116.42 117.10 3kn0 h ASP 199 Ca -0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.61 3kn0 h ASP 199 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3kn0 h ASP 199 CO 0.03 1.04 -0.15 0.28 -1.72 0.00 0.00 179.24 178.72 3kn0 h SER 200 N 0.61 0.89 -0.18 6.45 0.02 -0.76 -1.71 113.55 118.87 3kn0 h SER 200 Ca 0.06 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3kn0 h SER 200 Cb 0.88 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3kn0 h SER 200 CO 0.08 1.07 0.05 0.25 -1.14 0.00 0.00 176.83 177.13 3kn0 h LEU 201 N 0.70 0.04 -0.86 5.07 5.85 -0.77 -0.20 115.31 125.13 3kn0 h LEU 201 Ca 0.10 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3kn0 h LEU 201 Cb 0.71 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3kn0 h LEU 201 CO 0.05 0.05 -0.35 0.58 -0.34 0.00 0.00 178.44 178.43 3kn0 h VAL 202 N 0.13 1.29 0.00 1.05 2.07 -1.22 -1.83 116.25 117.74 3kn0 h VAL 202 Ca 0.08 -1.44 -0.18 0.00 0.82 0.00 0.00 66.70 65.98 3kn0 h VAL 202 Cb 0.06 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3kn0 h VAL 202 CO -0.09 0.45 -0.83 0.50 0.02 0.00 0.00 177.57 177.61 3kn0 h LYS 203 N 0.36 0.05 0.00 1.57 3.64 -1.01 -3.29 116.57 117.89 3kn0 h LYS 203 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kn0 h LYS 203 Cb 0.79 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3kn0 h LYS 203 CO 0.06 0.85 -0.84 1.04 -2.27 0.00 0.00 179.45 178.29 3kn0 n GLN 204 N -3.60 0.17 -3.32 1.90 6.02 -0.11 -4.97 117.38 113.48 3kn0 n GLN 204 Ca -0.01 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 3kn0 n GLN 204 Cb 0.79 -1.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.78 0.00 -0.11 5.09 -2.24 -0.69 -5.04 114.28 109.50 3kn0 n THR 205 Ca 0.03 -1.33 0.11 0.00 -2.27 0.00 0.00 64.05 60.59 3kn0 n THR 205 Cb 0.39 0.52 0.30 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.48 0.87 -1.69 4.78 8.25 -1.26 -4.76 115.22 120.93 3kn0 n HIS 206 Ca -0.01 -0.43 -0.43 0.00 -0.26 0.00 0.00 57.72 56.58 3kn0 n HIS 206 Cb 0.34 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 3kn0 n HIS 206 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kn0 n VAL 207 N 1.49 0.35 -1.64 1.59 0.31 -1.26 -4.91 118.33 114.26 3kn0 n VAL 207 Ca 0.23 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 64.07 3kn0 n VAL 207 Cb 0.58 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 3kn0 n VAL 207 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kn0 n PRO 208 N 5.52 1.64 -1.62 5.55 -0.02 -1.26 -4.69 135.00 140.12 3kn0 n PRO 208 Ca 0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 3kn0 n PRO 208 Cb 0.36 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.69 3.40 -3.61 2.55 5.15 -1.26 -4.27 115.26 117.90 3kn0 n ASN 209 Ca 0.08 -2.78 -0.09 0.00 -0.60 0.00 0.00 54.58 51.20 3kn0 n ASN 209 Cb 0.37 -1.47 -0.06 0.00 -0.53 0.00 0.00 39.78 38.09 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 2.65 -0.35 0.03 1.20 0.20 -1.26 -1.45 118.68 119.70 3kn0 s LEU 210 Ca 0.53 0.54 -0.06 0.00 0.69 0.00 0.00 54.13 55.83 3kn0 s LEU 210 Cb 0.12 1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 47.61 3kn0 s LEU 210 CO 0.02 -0.21 0.10 0.72 -0.29 0.00 0.00 176.35 176.69 3kn0 s PHE 211 N -0.44 0.17 0.06 5.38 -0.71 -1.05 -0.16 117.98 121.23 3kn0 s PHE 211 Ca 0.02 -0.41 0.05 0.00 -1.04 0.00 0.00 56.93 55.55 3kn0 s PHE 211 Cb -0.03 -0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 3kn0 s PHE 211 CO -0.04 -0.33 -0.14 -1.54 -1.34 0.00 0.00 175.22 171.83 3kn0 s SER 212 N -1.89 1.67 -0.08 1.98 1.04 -0.43 -0.06 113.70 115.92 3kn0 s SER 212 Ca -0.08 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.81 3kn0 s SER 212 Cb -0.03 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3kn0 s SER 212 CO -0.03 -0.04 -0.17 -0.76 0.98 0.00 0.00 173.24 173.22 3kn0 s LEU 213 N -1.54 1.82 -0.30 2.42 1.43 0.79 -1.09 118.68 122.21 3kn0 s LEU 213 Ca -0.01 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3kn0 s LEU 213 Cb -0.09 -1.07 0.08 0.00 0.03 0.00 0.00 46.19 45.13 3kn0 s LEU 213 CO 0.02 0.08 -0.02 -1.58 0.23 0.00 0.00 176.35 175.07 3kn0 s GLN 214 N 0.59 1.98 -0.25 1.70 0.74 0.12 -1.39 119.66 123.15 3kn0 s GLN 214 Ca -0.15 -1.56 -0.10 0.00 0.05 0.00 0.00 55.36 53.60 3kn0 s GLN 214 Cb -0.16 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 3kn0 s GLN 214 CO 0.05 -0.74 0.16 -0.51 -0.55 0.00 0.00 175.29 173.70 3kn0 s LEU 215 N 1.05 4.03 -0.39 3.68 1.43 -1.26 -0.79 118.68 126.43 3kn0 s LEU 215 Ca -0.00 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3kn0 s LEU 215 Cb -0.20 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 43.98 3kn0 s LEU 215 CO -0.06 0.03 0.21 0.00 0.23 0.00 0.00 176.35 176.76 3kn0 s GLY 217 N 1.78 3.05 0.43 0.00 0.00 -1.26 -4.74 107.32 106.58 3kn0 s GLY 217 Ca 0.02 0.60 0.23 0.00 0.00 0.00 0.00 44.72 45.56 3kn0 s GLY 217 CO 0.04 1.14 1.65 0.00 0.00 0.00 0.00 173.10 175.92 3kn0 h ALA 218 N 3.93 0.95 0.00 3.20 0.00 -1.94 -3.43 119.26 121.98 3kn0 h ALA 218 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kn0 h ALA 218 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kn0 h ALA 218 CO 0.67 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.43 3kn0 n GLY 219 N 0.94 1.31 3.40 0.00 0.00 -1.26 -5.00 105.19 104.58 3kn0 n GLY 219 Ca 0.03 0.00 -0.10 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 -2.70 0.21 0.40 1.61 -0.71 -1.26 -4.85 117.98 110.68 3kn0 s PHE 220 Ca 0.00 -0.57 -0.26 0.00 -1.04 0.00 0.00 56.93 55.05 3kn0 s PHE 220 Cb 0.00 0.10 -0.09 0.00 -1.21 0.00 0.00 43.02 41.82 3kn0 s PHE 220 CO 0.00 -0.78 1.33 -2.14 -1.34 0.00 0.00 175.22 172.29 3kn0 s PRO 221 N -3.93 4.01 -0.17 1.99 0.02 -1.26 -4.92 135.00 130.73 3kn0 s PRO 221 Ca 0.14 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 3kn0 s PRO 221 Cb 0.02 -2.81 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 3kn0 s PRO 221 CO -0.01 -0.48 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.54 3kn0 s LEU 222 N -2.33 2.55 1.10 -5.54 1.43 -1.26 -5.05 118.68 109.58 3kn0 s LEU 222 Ca 0.56 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 3kn0 s LEU 222 Cb -0.39 -1.60 0.26 0.00 0.03 0.00 0.00 46.19 44.48 3kn0 s LEU 222 CO 0.51 0.05 1.24 0.54 0.23 0.00 0.00 176.35 178.92 3kn0 s ASN 223 N 1.04 1.85 0.30 2.29 2.20 -1.26 -4.62 114.94 116.74 3kn0 s ASN 223 Ca -0.01 0.34 0.06 0.00 -0.94 0.00 0.00 52.86 52.31 3kn0 s ASN 223 Cb -0.15 -0.39 0.72 0.00 -2.00 0.00 0.00 41.25 39.43 3kn0 s ASN 223 CO -0.03 -3.52 1.78 -0.61 -2.94 0.00 0.00 177.10 171.78 3kn0 h GLN 224 N -2.18 0.77 0.00 3.55 4.15 -2.00 -1.22 115.11 118.18 3kn0 h GLN 224 Ca -0.44 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 58.78 3kn0 h GLN 224 Cb 1.25 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 3kn0 h GLN 224 CO 0.32 0.51 -1.26 0.66 -1.93 0.00 0.00 178.83 177.13 3kn0 h SER 225 N 0.79 0.00 -0.30 -0.69 4.64 -2.01 -3.34 113.55 112.64 3kn0 h SER 225 Ca 0.57 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.73 3kn0 h SER 225 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3kn0 h SER 225 CO -0.37 0.59 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.40 3kn0 h GLU 226 N 0.00 0.84 0.00 4.77 5.08 -1.73 -2.84 114.58 120.69 3kn0 h GLU 226 Ca -0.14 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3kn0 h GLU 226 Cb 1.57 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.86 3kn0 h GLU 226 CO 0.05 1.13 0.00 -0.24 -1.00 0.00 0.00 179.01 178.95 3kn0 h VAL 227 N 0.61 0.00 0.00 3.13 3.04 -1.38 -0.17 116.25 121.48 3kn0 h VAL 227 Ca 0.03 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 3kn0 h VAL 227 Cb 1.04 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3kn0 h VAL 227 CO 0.10 0.00 -0.86 -0.07 -1.01 0.00 0.00 177.57 175.73 3kn0 h LEU 228 N 0.00 0.00 -0.19 3.16 3.38 -1.63 -3.34 115.31 116.68 3kn0 h LEU 228 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kn0 h LEU 228 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kn0 h LEU 228 CO 0.00 0.06 -0.77 0.00 0.09 0.00 0.00 178.44 177.82 3kn0 n ALA 229 N -2.19 4.18 -2.27 1.53 0.00 -0.81 -4.97 120.51 115.98 3kn0 n ALA 229 Ca -0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 3kn0 n ALA 229 Cb 0.57 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.61 6.98 -0.24 0.00 0.15 -0.14 -5.04 113.70 112.79 3kn0 s SER 230 Ca 0.09 1.23 -0.28 0.00 0.70 0.00 0.00 55.95 57.69 3kn0 s SER 230 Cb 0.14 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 3kn0 s SER 230 CO 0.70 0.16 0.99 -0.69 1.20 0.00 0.00 173.24 175.60 3kn0 s VAL 231 N -1.33 4.70 -2.43 4.45 1.01 -1.26 -4.69 120.40 120.86 3kn0 s VAL 231 Ca 0.35 1.89 0.26 0.00 0.00 0.00 0.00 61.98 64.48 3kn0 s VAL 231 Cb -0.17 -4.27 0.30 0.00 0.00 0.00 0.00 36.38 32.23 3kn0 s VAL 231 CO 0.20 -0.18 1.46 0.61 0.00 0.00 0.00 175.10 177.19 3kn0 n GLY 232 N 3.48 0.18 0.00 4.51 0.00 0.64 -4.91 105.19 109.09 3kn0 n GLY 232 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.30 0.79 2.87 -0.02 0.00 -1.17 -0.19 105.19 108.77 3kn0 n GLY 233 Ca 0.15 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.00 -0.27 1.61 0.01 0.03 -1.48 113.70 109.60 3kn0 s SER 234 Ca 0.00 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.31 3kn0 s SER 234 Cb 0.00 0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.31 3kn0 s SER 234 CO 0.00 -0.02 -0.10 -0.32 0.41 0.00 0.00 173.24 173.22 3kn0 s MET 235 N 0.11 2.19 -0.37 12.44 0.00 -1.26 -0.70 119.30 131.71 3kn0 s MET 235 Ca -0.01 -1.39 -0.17 0.00 0.00 0.00 0.00 55.69 54.13 3kn0 s MET 235 Cb -0.01 -2.92 0.00 0.00 0.00 0.00 0.00 34.83 31.90 3kn0 s MET 235 CO -0.00 -0.60 0.45 0.42 0.00 0.00 0.00 175.02 175.29 3kn0 s ILE 236 N 1.09 5.08 -0.26 10.11 -1.09 -0.25 -4.85 121.20 131.02 3kn0 s ILE 236 Ca -0.08 0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.26 3kn0 s ILE 236 Cb -0.20 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3kn0 s ILE 236 CO -0.05 -0.24 0.40 -0.63 -1.23 0.00 0.00 174.94 173.19 3kn0 s ILE 237 N 2.23 5.16 0.00 2.92 1.01 -1.26 -1.31 121.20 129.94 3kn0 s ILE 237 Ca 0.15 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3kn0 s ILE 237 Cb -0.16 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3kn0 s ILE 237 CO 0.13 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3kn0 n GLY 238 N 4.58 0.76 0.00 6.18 0.00 0.78 -4.78 105.19 112.71 3kn0 n GLY 238 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.36 1.01 2.96 -0.02 0.00 -1.24 -4.45 105.19 101.09 3kn0 n GLY 239 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.32 1.05 -0.31 -0.61 1.01 -1.26 -3.98 121.20 114.78 3kn0 s ILE 240 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 3kn0 s ILE 240 Cb 0.00 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 3kn0 s ILE 240 CO 0.00 0.35 0.16 -0.62 0.00 0.00 0.00 174.94 174.84 3kn0 s ASP 241 N 1.17 5.65 0.00 3.58 2.15 -1.26 -4.25 116.67 123.72 3kn0 s ASP 241 Ca -0.05 -0.41 0.10 0.00 0.43 0.00 0.00 52.55 52.62 3kn0 s ASP 241 Cb -0.14 -2.03 0.45 0.00 -0.30 0.00 0.00 42.92 40.90 3kn0 s ASP 241 CO -0.02 -0.17 1.32 1.41 -0.17 0.00 0.00 175.17 177.54 3kn0 n HIS 242 N 5.01 0.00 0.93 -5.34 8.25 -0.78 -2.44 115.22 120.85 3kn0 n HIS 242 Ca -0.14 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.46 3kn0 n HIS 242 Cb 0.50 -0.48 0.53 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.15 0.41 3.41 -1.26 -3.62 113.62 111.14 3kn0 n SER 243 Ca 0.03 0.41 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 3kn0 n SER 243 Cb 0.12 -0.44 0.55 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.64 0.62 -3.95 1.04 4.77 -1.02 -4.81 117.00 112.01 3kn0 n LEU 244 Ca 0.06 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 3kn0 n LEU 244 Cb 0.36 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3kn0 n LEU 244 CO 0.29 0.12 -0.02 -0.72 -1.33 0.00 0.00 177.39 175.72 3kn0 s TYR 245 N -2.47 0.37 0.17 -1.77 1.13 -1.24 -1.38 117.35 112.17 3kn0 s TYR 245 Ca 0.28 -0.74 0.10 0.00 -1.41 0.00 0.00 57.07 55.30 3kn0 s TYR 245 Cb 0.20 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 3kn0 s TYR 245 CO 0.48 -0.71 -0.21 0.95 -2.51 0.00 0.00 175.55 173.55 3kn0 s THR 246 N -3.96 2.02 0.00 -3.49 -4.23 -0.77 -4.79 115.64 100.42 3kn0 s THR 246 Ca 0.16 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3kn0 s THR 246 Cb 0.03 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.95 3kn0 s THR 246 CO -0.01 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3kn0 n GLY 247 N 0.36 -1.34 3.93 3.99 0.00 -1.26 -3.72 105.19 107.14 3kn0 n GLY 247 Ca -0.13 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 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 6.38 -0.08 1.61 0.01 -1.26 -4.97 113.70 111.39 3kn0 s SER 248 Ca 0.00 0.33 -0.21 0.00 1.31 0.00 0.00 55.95 57.37 3kn0 s SER 248 Cb 0.00 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 3kn0 s SER 248 CO 0.00 0.04 0.61 -0.76 0.41 0.00 0.00 173.24 173.54 3kn0 s LEU 249 N -3.06 4.31 -0.10 2.44 1.43 -1.26 -4.52 118.68 117.92 3kn0 s LEU 249 Ca 0.37 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 3kn0 s LEU 249 Cb -0.12 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 3kn0 s LEU 249 CO 0.28 -0.05 -0.14 0.26 0.23 0.00 0.00 176.35 176.93 3kn0 s TRP 250 N 0.63 2.75 -0.07 0.29 0.52 -0.35 -4.90 118.94 117.81 3kn0 s TRP 250 Ca 0.33 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 3kn0 s TRP 250 Cb -0.17 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3kn0 s TRP 250 CO 0.15 -0.06 -0.01 0.71 0.02 0.00 0.00 176.95 177.76 3kn0 s TYR 251 N -0.09 3.10 -0.03 -1.98 1.51 -1.26 -0.63 117.35 117.97 3kn0 s TYR 251 Ca -0.02 0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.26 3kn0 s TYR 251 Cb -0.14 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 3kn0 s TYR 251 CO 0.04 0.44 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.59 3kn0 s THR 252 N -0.89 2.14 0.42 -0.71 -1.32 -0.13 -3.43 115.64 111.72 3kn0 s THR 252 Ca 0.14 -1.07 -0.25 0.00 -1.21 0.00 0.00 61.69 59.29 3kn0 s THR 252 Cb -0.11 -1.75 -0.08 0.00 -1.51 0.00 0.00 72.50 69.04 3kn0 s THR 252 CO 0.03 0.58 1.32 -2.84 -2.21 0.00 0.00 174.62 171.50 3kn0 s PRO 253 N -0.54 3.86 -0.37 7.08 0.02 -1.26 -0.65 135.00 143.15 3kn0 s PRO 253 Ca 0.08 2.19 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 3kn0 s PRO 253 Cb -0.11 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.74 3kn0 s PRO 253 CO -0.00 -0.59 1.03 0.42 -0.33 0.00 0.00 177.00 177.53 3kn0 s ILE 254 N -1.27 4.48 0.23 2.83 1.01 -0.29 -4.61 121.20 123.58 3kn0 s ILE 254 Ca 0.59 1.45 -0.08 0.00 0.00 0.00 0.00 60.65 62.61 3kn0 s ILE 254 Cb -0.39 -4.42 0.20 0.00 0.01 0.00 0.00 42.46 37.86 3kn0 s ILE 254 CO 0.50 -0.60 1.88 -0.09 0.00 0.00 0.00 174.94 176.63 3kn0 h ARG 255 N 8.44 1.05 -2.22 2.79 2.43 -1.10 -3.44 114.38 122.34 3kn0 h ARG 255 Ca -0.22 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3kn0 h ARG 255 Cb 1.07 -0.24 -0.22 0.00 -0.42 0.00 0.00 29.97 30.16 3kn0 h ARG 255 CO 1.03 0.70 0.02 0.50 -1.51 0.00 0.00 179.97 180.71 3kn0 s ARG 256 N -6.11 0.73 -1.01 0.20 3.52 -1.26 -5.09 118.95 109.93 3kn0 s ARG 256 Ca -0.13 0.89 -0.20 0.00 -0.13 0.00 0.00 55.73 56.16 3kn0 s ARG 256 Cb 0.17 0.34 0.10 0.00 -1.56 0.00 0.00 34.95 34.00 3kn0 s ARG 256 CO 0.79 -0.09 1.31 -1.21 -0.81 0.00 0.00 175.30 175.29 3kn0 s GLU 257 N 0.42 3.65 0.00 5.12 2.02 -1.26 -3.99 118.70 124.66 3kn0 s GLU 257 Ca -0.01 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.40 3kn0 s GLU 257 Cb -0.04 -5.14 0.00 0.00 0.10 0.00 0.00 34.13 29.05 3kn0 s GLU 257 CO -0.00 -1.97 0.00 -2.67 0.02 0.00 0.00 175.26 170.64 3kn0 n TRP 258 N 7.50 0.00 -2.36 1.61 4.27 -1.26 -4.67 117.44 122.53 3kn0 n TRP 258 Ca 0.30 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.66 3kn0 n TRP 258 Cb 0.49 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.55 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 2.06 -1.00 -2.67 2.02 -1.26 -1.56 117.35 114.94 3kn0 s TYR 259 Ca 0.00 0.06 -0.19 0.00 -0.37 0.00 0.00 57.07 56.57 3kn0 s TYR 259 Cb 0.00 -3.25 0.12 0.00 -0.40 0.00 0.00 41.96 38.43 3kn0 s TYR 259 CO 0.00 -1.74 1.26 0.71 -1.57 0.00 0.00 175.55 174.21 3kn0 s TYR 260 N -3.28 3.04 -0.04 2.71 1.51 -1.26 -4.84 117.35 115.19 3kn0 s TYR 260 Ca 0.65 -1.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.11 3kn0 s TYR 260 Cb -0.07 -4.39 -0.05 0.00 -0.11 0.00 0.00 41.96 37.35 3kn0 s TYR 260 CO 0.46 -1.58 0.62 -2.00 -1.11 0.00 0.00 175.55 171.93 3kn0 s GLU 261 N 3.06 4.37 0.34 -0.62 2.12 -1.26 -2.44 118.70 124.27 3kn0 s GLU 261 Ca 0.38 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.49 3kn0 s GLU 261 Cb -0.03 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 3kn0 s GLU 261 CO -0.08 0.24 0.11 0.14 -0.54 0.00 0.00 175.26 175.13 3kn0 s VAL 262 N 0.25 0.71 -0.15 3.70 -7.23 -0.33 -0.47 120.40 116.88 3kn0 s VAL 262 Ca 0.33 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 3kn0 s VAL 262 Cb -0.18 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.24 3kn0 s VAL 262 CO 0.17 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.18 3kn0 s ILE 263 N -3.38 1.62 -0.13 -0.62 1.01 -1.26 -3.98 121.20 114.45 3kn0 s ILE 263 Ca 0.32 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 60.11 3kn0 s ILE 263 Cb 0.06 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3kn0 s ILE 263 CO 0.15 0.47 0.52 -0.63 0.00 0.00 0.00 174.94 175.44 3kn0 s ILE 264 N 1.40 5.15 -0.54 2.92 1.01 -1.26 -2.35 121.20 127.53 3kn0 s ILE 264 Ca 0.03 1.02 0.09 0.00 0.00 0.00 0.00 60.65 61.80 3kn0 s ILE 264 Cb -0.13 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3kn0 s ILE 264 CO -0.10 0.29 0.45 1.33 0.00 0.00 0.00 174.94 176.91 3kn0 n VAL 265 N 3.86 0.00 -3.61 2.92 0.24 0.20 -4.74 118.33 117.20 3kn0 n VAL 265 Ca -0.06 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 3kn0 n VAL 265 Cb 0.51 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.79 0.62 -0.04 7.34 3.52 -1.24 -4.79 118.95 122.57 3kn0 s ARG 266 Ca 0.04 0.49 0.03 0.00 -0.13 0.00 0.00 55.73 56.17 3kn0 s ARG 266 Cb 0.07 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 3kn0 s ARG 266 CO 0.36 -0.12 -0.12 0.08 -0.81 0.00 0.00 175.30 174.69 3kn0 s VAL 267 N -0.25 1.06 0.03 7.11 1.01 -1.26 -0.47 120.40 127.63 3kn0 s VAL 267 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.54 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 -0.16 -1.61 0.00 0.00 0.00 175.10 173.64 3kn0 s GLU 268 N 0.27 1.08 -0.26 2.72 2.02 -0.17 -1.02 118.70 123.34 3kn0 s GLU 268 Ca -0.06 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3kn0 s GLU 268 Cb -0.11 -1.11 0.06 0.00 0.10 0.00 0.00 34.13 33.07 3kn0 s GLU 268 CO 0.02 0.28 -0.10 0.42 0.02 0.00 0.00 175.26 175.90 3kn0 s ILE 269 N -0.77 2.11 -1.40 -1.63 -1.09 -0.21 -0.99 121.20 117.22 3kn0 s ILE 269 Ca 0.04 -1.63 -0.06 0.00 -2.23 0.00 0.00 60.65 56.77 3kn0 s ILE 269 Cb -0.08 -2.25 0.03 0.00 -1.58 0.00 0.00 42.46 38.59 3kn0 s ILE 269 CO 0.01 -0.06 0.86 0.59 -1.23 0.00 0.00 174.94 175.11 3kn0 n ASN 270 N 4.45 -2.99 0.00 3.58 4.13 0.04 -1.44 115.26 123.03 3kn0 n ASN 270 Ca -0.13 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.35 3kn0 n ASN 270 Cb 0.42 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.56 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 -1.64 2.77 3.64 7.41 0.00 -1.26 -4.98 105.19 111.13 3kn0 n GLY 271 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 4.16 0.12 1.61 0.74 -0.52 -4.98 119.66 120.79 3kn0 s GLN 272 Ca 0.00 0.55 -0.31 0.00 0.05 0.00 0.00 55.36 55.65 3kn0 s GLN 272 Cb 0.00 -3.61 -0.10 0.00 1.10 0.00 0.00 33.01 30.40 3kn0 s GLN 272 CO 0.00 -0.31 1.77 0.34 -0.55 0.00 0.00 175.29 176.55 3kn0 s ASP 273 N 1.32 6.46 0.46 6.67 2.15 -1.26 -1.05 116.67 131.42 3kn0 s ASP 273 Ca 0.27 2.70 0.31 0.00 0.43 0.00 0.00 52.55 56.26 3kn0 s ASP 273 Cb -0.16 -2.57 1.48 0.00 -0.30 0.00 0.00 42.92 41.37 3kn0 s ASP 273 CO 0.09 -0.97 1.94 0.25 -0.17 0.00 0.00 175.17 176.31 3kn0 h LEU 274 N 8.39 0.00 0.99 -1.34 5.85 -1.45 -3.47 115.31 124.28 3kn0 h LEU 274 Ca -0.45 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 57.89 3kn0 h LEU 274 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3kn0 h LEU 274 CO 0.94 0.00 -0.57 1.17 -0.34 0.00 0.00 178.44 179.65 3kn0 n LYS 275 N -2.69 -4.04 -3.76 1.25 4.81 -1.26 -5.01 118.16 107.45 3kn0 n LYS 275 Ca -0.00 0.72 -0.25 0.00 -0.87 0.00 0.00 58.31 57.91 3kn0 n LYS 275 Cb 0.18 -5.50 -0.03 0.00 0.02 0.00 0.00 35.03 29.70 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 -5.76 3.48 0.06 1.64 -1.94 -1.26 -5.02 119.30 110.50 3kn0 s MET 276 Ca 0.31 -0.49 -0.34 0.00 -1.71 0.00 0.00 55.69 53.47 3kn0 s MET 276 Cb -0.15 -2.85 -0.13 0.00 2.01 0.00 0.00 34.83 33.71 3kn0 s MET 276 CO 0.39 0.40 1.72 -3.47 -0.01 0.00 0.00 175.02 174.05 3kn0 n ASP 277 N -0.96 3.33 0.12 3.03 -0.08 -1.26 -4.79 116.55 115.93 3kn0 n ASP 277 Ca -0.06 1.03 0.07 0.00 -1.51 0.00 0.00 54.79 54.32 3kn0 n ASP 277 Cb 0.55 -1.42 0.40 0.00 2.34 0.00 0.00 41.12 42.99 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 0.00 0.00 3.64 -1.80 -2.76 116.57 115.65 3kn0 h LYS 279 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3kn0 h LYS 279 Cb 0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3kn0 h LYS 279 CO 0.00 0.22 -0.33 0.93 -2.27 0.00 0.00 179.45 178.01 3kn0 h GLU 280 N 0.00 0.00 0.00 1.90 4.39 -1.19 -2.59 114.58 117.08 3kn0 h GLU 280 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kn0 h GLU 280 Cb 0.86 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3kn0 h GLU 280 CO 0.03 0.33 -0.05 1.88 -1.16 0.00 0.00 179.01 180.04 3kn0 h TYR 281 N 0.00 0.00 -0.08 4.33 0.99 -1.63 -3.19 116.97 117.40 3kn0 h TYR 281 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 3kn0 h TYR 281 Cb 0.61 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 3kn0 h TYR 281 CO 0.00 0.05 -0.18 0.09 -0.00 0.00 0.00 178.16 178.12 3kn0 n ASN 282 N -3.14 2.32 -4.50 3.88 3.02 -1.00 -4.30 115.26 111.54 3kn0 n ASN 282 Ca 0.02 -3.45 -0.43 0.00 -0.03 0.00 0.00 54.58 50.69 3kn0 n ASN 282 Cb 0.40 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 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 -3.05 3.17 -2.54 3.10 5.04 -1.08 0.27 117.35 122.25 3kn0 s TYR 283 Ca 0.37 -0.29 0.23 0.00 -2.44 0.00 0.00 57.07 54.94 3kn0 s TYR 283 Cb 0.33 -2.89 0.37 0.00 0.35 0.00 0.00 41.96 40.13 3kn0 s TYR 283 CO -0.00 -0.67 1.36 -0.40 -1.34 0.00 0.00 175.55 174.50 3kn0 n ASP 284 N 5.61 3.36 -3.59 4.32 3.85 -1.26 -3.63 116.55 125.20 3kn0 n ASP 284 Ca -0.07 -1.99 -0.04 0.00 -0.71 0.00 0.00 54.79 51.98 3kn0 n ASP 284 Cb 0.48 -0.20 -0.02 0.00 -1.35 0.00 0.00 41.12 40.03 3kn0 n ASP 284 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3kn0 s LYS 285 N -1.57 0.34 -0.08 0.11 -2.85 0.14 -4.69 119.74 111.13 3kn0 s LYS 285 Ca 0.36 -0.13 0.03 0.00 -1.00 0.00 0.00 55.97 55.22 3kn0 s LYS 285 Cb 0.22 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 3kn0 s LYS 285 CO 0.31 -0.15 -0.16 -1.12 0.10 0.00 0.00 175.35 174.33 3kn0 s SER 286 N -2.27 2.27 0.15 0.03 0.01 -1.26 -0.97 113.70 111.67 3kn0 s SER 286 Ca 0.10 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.99 3kn0 s SER 286 Cb -0.00 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 3kn0 s SER 286 CO -0.05 0.07 -0.04 0.27 0.41 0.00 0.00 173.24 173.90 3kn0 s ILE 287 N 0.62 0.81 -0.28 1.44 -4.36 -0.40 -1.19 121.20 117.84 3kn0 s ILE 287 Ca -0.15 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.16 3kn0 s ILE 287 Cb -0.16 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 3kn0 s ILE 287 CO 0.04 -0.62 0.14 -0.69 0.24 0.00 0.00 174.94 174.05 3kn0 s VAL 288 N -3.56 4.68 -0.28 8.37 1.01 -1.02 -0.80 120.40 128.79 3kn0 s VAL 288 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3kn0 s VAL 288 Cb 0.05 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.23 3kn0 s VAL 288 CO 0.01 0.19 0.08 -0.62 0.00 0.00 0.00 175.10 174.77 3kn0 s ASP 289 N 1.65 3.78 0.00 3.32 2.15 -0.22 -4.44 116.67 122.90 3kn0 s ASP 289 Ca 0.06 -1.44 0.24 0.00 0.43 0.00 0.00 52.55 51.84 3kn0 s ASP 289 Cb -0.16 -0.78 1.35 0.00 -0.30 0.00 0.00 42.92 43.03 3kn0 s ASP 289 CO 0.07 -0.39 1.82 -1.54 -0.17 0.00 0.00 175.17 174.95 3kn0 n SER 290 N 4.92 0.00 -0.54 -0.34 3.41 -1.26 -3.25 113.62 116.55 3kn0 n SER 290 Ca -0.04 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.25 3kn0 n SER 290 Cb 0.43 -0.13 0.44 0.00 -0.26 0.00 0.00 64.21 64.69 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 0.63 0.19 3.09 5.00 0.00 -1.26 -4.66 105.19 108.19 3kn0 n GLY 291 Ca 0.15 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3kn0 n GLY 291 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kn0 s THR 292 N -1.90 0.63 -0.01 2.61 -1.32 -1.20 -5.04 115.64 109.41 3kn0 s THR 292 Ca 0.35 -1.27 -0.24 0.00 -1.21 0.00 0.00 61.69 59.32 3kn0 s THR 292 Cb 0.20 -0.87 -0.16 0.00 -1.51 0.00 0.00 72.50 70.16 3kn0 s THR 292 CO 0.30 -0.47 1.14 0.74 -2.21 0.00 0.00 174.62 174.13 3kn0 h THR 293 N 4.17 0.71 -3.75 5.08 2.02 -1.89 0.12 112.91 119.37 3kn0 h THR 293 Ca -0.36 -0.72 -0.46 0.00 0.77 0.00 0.00 66.41 65.64 3kn0 h THR 293 Cb 1.19 1.07 0.07 0.00 -1.74 0.00 0.00 68.15 68.75 3kn0 h THR 293 CO 0.45 0.14 0.22 0.20 0.37 0.00 0.00 175.52 176.90 3kn0 s ASN 294 N -5.16 4.94 -0.24 4.18 0.01 -1.26 -1.25 114.94 116.16 3kn0 s ASN 294 Ca -0.14 0.50 -0.23 0.00 -0.71 0.00 0.00 52.86 52.29 3kn0 s ASN 294 Cb 0.02 -1.21 -0.01 0.00 0.41 0.00 0.00 41.25 40.46 3kn0 s ASN 294 CO 0.52 -1.51 0.74 -0.22 -1.51 0.00 0.00 177.10 175.12 3kn0 s LEU 295 N -5.21 4.08 -0.11 0.60 2.96 -0.57 -1.98 118.68 118.46 3kn0 s LEU 295 Ca 0.59 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 55.42 3kn0 s LEU 295 Cb -0.11 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 3kn0 s LEU 295 CO 0.45 -0.44 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.78 3kn0 s ARG 296 N 2.63 3.14 0.03 1.98 0.52 -0.11 -1.51 118.95 125.63 3kn0 s ARG 296 Ca 0.31 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.93 3kn0 s ARG 296 Cb -0.15 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 3kn0 s ARG 296 CO 0.08 0.34 -0.24 -0.51 0.02 0.00 0.00 175.30 175.00 3kn0 s LEU 297 N 0.02 2.14 0.31 2.53 1.43 -0.04 -0.45 118.68 124.63 3kn0 s LEU 297 Ca -0.04 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 3kn0 s LEU 297 Cb -0.14 -1.15 -0.13 0.00 0.03 0.00 0.00 46.19 44.80 3kn0 s LEU 297 CO 0.04 0.23 1.10 -2.65 0.23 0.00 0.00 176.35 175.30 3kn0 n PRO 298 N 1.97 1.60 -0.28 1.29 -0.02 -1.26 0.05 135.00 138.35 3kn0 n PRO 298 Ca -0.17 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 3kn0 n PRO 298 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.63 -0.20 -0.01 -0.52 4.81 -1.11 -0.18 118.16 121.58 3kn0 n LYS 299 Ca 0.08 1.08 -0.01 0.00 -0.87 0.00 0.00 58.31 58.58 3kn0 n LYS 299 Cb 0.34 -1.60 0.26 0.00 0.02 0.00 0.00 35.03 34.05 3kn0 n LYS 299 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3kn0 h LYS 300 N 0.00 0.54 -0.01 1.64 3.64 -1.92 -1.34 116.57 119.13 3kn0 h LYS 300 Ca 0.21 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 3kn0 h LYS 300 Cb 0.39 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3kn0 h LYS 300 CO -0.69 0.62 -0.98 0.28 -2.27 0.00 0.00 179.45 176.41 3kn0 h VAL 301 N 0.51 1.33 -0.54 2.00 2.07 -0.96 -2.81 116.25 117.85 3kn0 h VAL 301 Ca 0.10 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.29 3kn0 h VAL 301 Cb 0.43 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3kn0 h VAL 301 CO 0.02 0.71 0.26 0.15 0.02 0.00 0.00 177.57 178.73 3kn0 h PHE 302 N 0.33 0.79 -0.63 1.57 3.57 -0.24 0.11 116.94 122.44 3kn0 h PHE 302 Ca -0.10 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 3kn0 h PHE 302 Cb 1.62 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 3kn0 h PHE 302 CO 0.08 0.61 0.11 0.93 -2.23 0.00 0.00 178.31 177.81 3kn0 h GLU 303 N 0.73 1.02 -0.07 1.11 5.08 -1.26 -0.12 114.58 121.07 3kn0 h GLU 303 Ca 0.19 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 3kn0 h GLU 303 Cb 0.12 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3kn0 h GLU 303 CO -0.02 0.93 -0.75 0.00 -1.00 0.00 0.00 179.01 178.17 3kn0 h ALA 304 N 1.15 0.55 -0.40 3.43 0.00 -1.21 -2.51 119.26 120.28 3kn0 h ALA 304 Ca 0.20 -0.62 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 3kn0 h ALA 304 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kn0 h ALA 304 CO 0.01 0.76 -0.34 0.00 0.00 0.00 0.00 179.25 179.68 3kn0 h ALA 305 N 0.89 0.59 -0.19 0.00 0.00 -0.50 -2.09 119.26 117.96 3kn0 h ALA 305 Ca -0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 3kn0 h ALA 305 Cb 1.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kn0 h ALA 305 CO 0.13 0.66 -0.34 0.28 0.00 0.00 0.00 179.25 179.98 3kn0 h VAL 306 N 0.77 1.29 -0.52 0.00 2.07 -1.01 0.88 116.25 119.72 3kn0 h VAL 306 Ca 0.07 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 3kn0 h VAL 306 Cb 0.93 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3kn0 h VAL 306 CO 0.09 0.43 -0.05 0.11 0.02 0.00 0.00 177.57 178.17 3kn0 h LYS 307 N 0.34 0.93 -0.16 1.57 1.57 -1.30 0.13 116.57 119.65 3kn0 h LYS 307 Ca 0.04 -0.30 -0.21 0.00 -1.87 0.00 0.00 60.65 58.31 3kn0 h LYS 307 Cb 0.76 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.99 3kn0 h LYS 307 CO 0.06 0.95 -0.73 1.03 -0.57 0.00 0.00 179.45 180.20 3kn0 h SER 308 N 0.84 0.87 0.26 0.86 0.87 -0.95 -1.53 113.55 114.77 3kn0 h SER 308 Ca 0.15 -0.55 -0.11 0.00 -1.23 0.00 0.00 61.79 60.05 3kn0 h SER 308 Cb 0.57 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3kn0 h SER 308 CO 0.03 1.33 -0.42 0.40 -0.53 0.00 0.00 176.83 177.65 3kn0 h ILE 309 N 0.52 1.31 -0.33 2.23 2.04 -0.67 -1.27 117.51 121.35 3kn0 h ILE 309 Ca -0.04 -1.54 -0.17 0.00 1.00 0.00 0.00 64.86 64.11 3kn0 h ILE 309 Cb 1.34 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3kn0 h ILE 309 CO 0.15 0.46 -0.45 0.11 0.00 0.00 0.00 178.15 178.42 3kn0 h LYS 310 N 0.18 0.86 -0.23 2.37 1.57 -0.87 -2.01 116.57 118.45 3kn0 h LYS 310 Ca 0.01 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 3kn0 h LYS 310 Cb 0.83 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3kn0 h LYS 310 CO 0.06 1.12 -0.33 0.00 -0.57 0.00 0.00 179.45 179.74 3kn0 h ALA 311 N 0.80 1.01 -0.01 3.86 0.00 -0.94 -0.64 119.26 123.34 3kn0 h ALA 311 Ca 0.04 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3kn0 h ALA 311 Cb 1.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3kn0 h ALA 311 CO 0.10 0.60 -0.66 0.00 0.00 0.00 0.00 179.25 179.29 3kn0 h ALA 312 N 1.24 0.90 -0.68 0.00 0.00 -1.12 -3.09 119.26 116.51 3kn0 h ALA 312 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kn0 h ALA 312 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kn0 h ALA 312 CO 0.06 0.82 0.00 -1.13 0.00 0.00 0.00 179.25 179.00 3kn0 n SER 313 N -3.76 4.23 0.08 0.00 3.41 -0.77 -4.71 113.62 112.10 3kn0 n SER 313 Ca -0.01 -2.19 0.03 0.00 -0.26 0.00 0.00 58.87 56.44 3kn0 n SER 313 Cb 0.65 -0.51 0.19 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.36 0.18 0.00 4.04 3.41 -0.27 -1.97 113.62 120.36 3kn0 n SER 314 Ca 0.24 0.45 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 3kn0 n SER 314 Cb 0.72 -0.43 0.40 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.69 0.68 -3.94 6.66 -2.24 -1.26 -4.50 114.28 107.99 3kn0 n THR 315 Ca -0.00 0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.78 3kn0 n THR 315 Cb 0.22 -0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.81 0.31 -0.18 -0.78 2.02 -0.83 -5.14 118.70 111.29 3kn0 s GLU 316 Ca 0.12 0.06 -0.09 0.00 0.02 0.00 0.00 54.97 55.08 3kn0 s GLU 316 Cb 0.11 -0.47 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 3kn0 s GLU 316 CO 0.29 -0.12 0.13 0.15 0.02 0.00 0.00 175.26 175.73 3kn0 s LYS 317 N 0.94 4.00 0.01 1.61 -0.14 -1.26 -4.95 119.74 119.95 3kn0 s LYS 317 Ca -0.10 -0.21 0.08 0.00 -1.36 0.00 0.00 55.97 54.39 3kn0 s LYS 317 Cb -0.13 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 3kn0 s LYS 317 CO -0.02 0.41 -0.25 -0.06 -0.76 0.00 0.00 175.35 174.68 3kn0 s PHE 318 N 0.03 2.36 0.59 3.18 0.40 -1.26 -5.12 117.98 118.16 3kn0 s PHE 318 Ca 0.09 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 3kn0 s PHE 318 Cb -0.11 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 3kn0 s PHE 318 CO -0.01 0.07 1.15 -0.35 0.70 0.00 0.00 175.22 176.79 3kn0 n PRO 319 N 2.05 1.17 0.05 0.24 -0.04 -1.26 -4.87 135.00 132.34 3kn0 n PRO 319 Ca -0.16 0.45 0.18 0.00 -0.04 0.00 0.00 63.50 63.92 3kn0 n PRO 319 Cb 0.52 -2.36 0.69 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.78 0.00 -0.00 3.54 3.32 -2.00 -0.33 116.42 121.73 3kn0 h ASP 320 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3kn0 h ASP 320 Cb 1.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3kn0 h ASP 320 CO 0.53 0.00 0.00 1.23 -1.72 0.00 0.00 179.24 179.28 3kn0 h GLY 321 N 0.00 0.00 0.67 2.75 0.00 -1.94 -1.73 103.07 102.82 3kn0 h GLY 321 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 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 0.29 0.00 5.60 3.57 -1.22 -2.08 116.94 123.10 3kn0 h PHE 322 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3kn0 h PHE 322 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3kn0 h PHE 322 CO 0.00 0.66 0.00 0.91 -2.23 0.00 0.00 178.31 177.65 3kn0 n TRP 323 N -4.65 0.55 1.40 0.41 7.02 -0.72 -0.77 117.44 120.68 3kn0 n TRP 323 Ca -0.07 0.22 0.13 0.00 -1.02 0.00 0.00 57.50 56.76 3kn0 n TRP 323 Cb 0.33 -0.85 0.47 0.00 -2.42 0.00 0.00 31.31 28.83 3kn0 n TRP 323 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3kn0 n LEU 324 N -2.00 1.61 -0.16 -0.99 4.77 -0.79 -4.91 117.00 114.53 3kn0 n LEU 324 Ca 0.02 -0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 55.40 3kn0 n LEU 324 Cb 0.20 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3kn0 n LEU 324 CO 0.17 0.29 -0.02 0.61 -1.33 0.00 0.00 177.39 177.11 3kn0 n GLY 325 N 1.17 0.41 0.07 -0.72 0.00 0.05 -4.87 105.19 101.30 3kn0 n GLY 325 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.08 0.65 -4.59 1.61 1.02 -0.90 -4.73 120.64 112.63 3kn0 n GLU 326 Ca -0.02 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 3kn0 n GLU 326 Cb 0.30 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.02 1.21 0.60 3.49 -2.07 -0.83 -5.00 119.66 114.04 3kn0 s GLN 327 Ca -0.06 -0.75 -0.12 0.00 -1.82 0.00 0.00 55.36 52.60 3kn0 s GLN 327 Cb 0.10 -1.23 -0.05 0.00 -1.09 0.00 0.00 33.01 30.74 3kn0 s GLN 327 CO 0.85 0.32 1.02 -0.48 -1.32 0.00 0.00 175.29 175.68 3kn0 s LEU 328 N -0.89 3.29 -0.06 2.60 0.05 -1.26 -4.21 118.68 118.20 3kn0 s LEU 328 Ca 0.05 1.44 0.04 0.00 0.05 0.00 0.00 54.13 55.71 3kn0 s LEU 328 Cb -0.08 -4.47 0.00 0.00 -2.05 0.00 0.00 46.19 39.59 3kn0 s LEU 328 CO 0.01 -0.83 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.11 3kn0 s VAL 329 N -3.10 1.52 0.10 1.48 1.01 -0.14 -4.95 120.40 116.33 3kn0 s VAL 329 Ca 0.56 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.89 3kn0 s VAL 329 Cb -0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3kn0 s VAL 329 CO 0.51 0.44 -0.25 0.00 0.00 0.00 0.00 175.10 175.80 3kn0 s TRP 331 N -1.00 1.04 0.38 0.00 0.51 -0.46 -4.97 118.94 114.44 3kn0 s TRP 331 Ca 0.11 -0.52 -0.26 0.00 -2.12 0.00 0.00 56.10 53.32 3kn0 s TRP 331 Cb -0.10 -0.59 -0.11 0.00 -0.81 0.00 0.00 33.47 31.86 3kn0 s TRP 331 CO 0.04 0.01 1.06 0.94 -0.51 0.00 0.00 176.95 178.49 3kn0 n GLN 332 N 1.15 1.49 -1.66 4.98 7.27 -1.26 -0.78 117.38 128.56 3kn0 n GLN 332 Ca -0.20 0.53 -0.64 0.00 0.07 0.00 0.00 57.00 56.75 3kn0 n GLN 332 Cb 0.55 -2.06 -0.09 0.00 2.41 0.00 0.00 30.24 31.05 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 -0.22 -2.14 -0.37 1.69 0.00 -1.23 -0.96 120.51 117.28 3kn0 n ALA 333 Ca 0.09 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3kn0 n ALA 333 Cb 0.37 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 3.10 2.06 1.28 0.00 0.00 -1.26 -4.90 105.19 105.48 3kn0 n GLY 334 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 0.96 -1.66 2.61 -2.24 -0.14 -4.98 114.28 106.84 3kn0 n THR 335 Ca 0.00 -0.98 -0.55 0.00 -2.27 0.00 0.00 64.05 60.25 3kn0 n THR 335 Cb 0.00 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.55 0.17 -1.70 4.28 -1.04 -1.26 -4.80 114.28 111.48 3kn0 n THR 336 Ca 0.23 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.81 3kn0 n THR 336 Cb 0.61 -1.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.09 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 4.06 3.72 -0.32 -2.82 -0.04 -1.26 -4.76 135.00 133.57 3kn0 n PRO 337 Ca 0.23 -2.76 0.16 0.00 -0.04 0.00 0.00 63.50 61.09 3kn0 n PRO 337 Cb 0.15 -2.89 0.35 0.00 -0.04 0.00 0.00 33.50 31.08 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 5.23 0.79 0.00 0.54 4.06 -1.95 -1.19 115.95 123.43 3kn0 h TRP 338 Ca 0.71 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.70 3kn0 h TRP 338 Cb 0.41 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3kn0 h TRP 338 CO 1.64 -0.04 0.00 -2.95 -3.56 0.00 0.00 178.44 173.54 3kn0 h ASN 339 N 0.44 0.00 1.12 -3.49 7.08 -2.00 -1.73 115.58 117.00 3kn0 h ASN 339 Ca 0.61 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.83 3kn0 h ASN 339 Cb 1.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.44 3kn0 h ASN 339 CO -0.53 0.00 -0.38 0.16 -2.08 0.00 0.00 177.43 174.60 3kn0 h ILE 340 N 0.00 0.00 -3.11 6.14 3.07 -1.58 -3.44 117.51 118.59 3kn0 h ILE 340 Ca 0.00 -0.50 -0.60 0.00 1.55 0.00 0.00 64.86 65.31 3kn0 h ILE 340 Cb 0.12 1.25 -0.05 0.00 -0.27 0.00 0.00 36.82 37.86 3kn0 h ILE 340 CO 0.00 0.00 -0.14 -0.36 -1.05 0.00 0.00 178.15 176.60 3kn0 s PHE 341 N -3.15 3.74 0.54 0.16 0.08 -0.65 -3.59 117.98 115.12 3kn0 s PHE 341 Ca 0.08 1.08 -0.16 0.00 0.12 0.00 0.00 56.93 58.05 3kn0 s PHE 341 Cb 0.13 -2.37 -0.07 0.00 -0.57 0.00 0.00 43.02 40.13 3kn0 s PHE 341 CO 0.67 0.60 1.00 -1.25 -0.10 0.00 0.00 175.22 176.14 3kn0 s PRO 342 N -0.98 3.84 0.48 0.24 0.04 -1.26 -4.81 135.00 132.55 3kn0 s PRO 342 Ca 0.26 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 3kn0 s PRO 342 Cb -0.18 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3kn0 s PRO 342 CO 0.15 -0.36 0.85 0.14 0.04 0.00 0.00 177.00 177.82 3kn0 s VAL 343 N -2.69 4.77 -0.10 -0.36 -7.23 -1.26 -4.32 120.40 109.20 3kn0 s VAL 343 Ca 0.59 0.64 0.03 0.00 -1.81 0.00 0.00 61.98 61.43 3kn0 s VAL 343 Cb -0.11 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.05 3kn0 s VAL 343 CO 0.35 -0.74 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.58 3kn0 s ILE 344 N -2.65 1.72 -0.14 -0.62 1.01 -0.29 -0.78 121.20 119.46 3kn0 s ILE 344 Ca 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3kn0 s ILE 344 Cb -0.10 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3kn0 s ILE 344 CO 0.39 0.49 -0.15 -0.44 0.00 0.00 0.00 174.94 175.22 3kn0 s SER 345 N 0.65 3.75 -0.21 3.58 0.01 -0.16 -0.55 113.70 120.77 3kn0 s SER 345 Ca -0.13 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.68 3kn0 s SER 345 Cb -0.16 -1.57 -0.00 0.00 0.21 0.00 0.00 66.02 64.49 3kn0 s SER 345 CO 0.03 0.12 -0.07 -0.76 0.41 0.00 0.00 173.24 172.98 3kn0 s LEU 346 N 0.60 2.79 -0.10 2.44 1.43 -0.48 -1.00 118.68 124.35 3kn0 s LEU 346 Ca -0.09 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 3kn0 s LEU 346 Cb -0.16 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3kn0 s LEU 346 CO 0.03 -0.01 0.43 -0.31 0.23 0.00 0.00 176.35 176.72 3kn0 s TYR 347 N 1.42 3.55 0.03 0.29 1.51 0.37 -1.28 117.35 123.25 3kn0 s TYR 347 Ca 0.05 0.87 0.07 0.00 -1.01 0.00 0.00 57.07 57.05 3kn0 s TYR 347 Cb -0.14 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 3kn0 s TYR 347 CO -0.04 0.27 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.96 3kn0 s LEU 348 N 0.25 2.46 0.24 -1.29 1.43 0.73 -0.63 118.68 121.87 3kn0 s LEU 348 Ca 0.24 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 3kn0 s LEU 348 Cb -0.15 -1.44 -0.13 0.00 0.03 0.00 0.00 46.19 44.49 3kn0 s LEU 348 CO 0.10 0.27 1.49 0.80 0.23 0.00 0.00 176.35 179.23 3kn0 n MET 349 N 1.74 2.22 -2.61 1.70 0.00 -0.99 -1.52 117.12 117.66 3kn0 n MET 349 Ca -0.16 0.79 -0.24 0.00 -0.00 0.00 0.00 57.70 58.09 3kn0 n MET 349 Cb 0.52 -2.50 0.11 0.00 0.00 0.00 0.00 33.22 31.36 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 0.46 1.75 0.09 -5.12 0.00 0.71 -4.04 107.32 101.17 3kn0 s GLY 350 Ca 0.69 -1.82 0.26 0.00 0.00 0.00 0.00 44.72 43.85 3kn0 s GLY 350 CO 0.47 -1.22 1.57 1.18 0.00 0.00 0.00 173.10 175.10 3kn0 n GLU 351 N -2.86 0.16 -3.45 2.90 1.02 -1.22 -4.58 120.64 112.60 3kn0 n GLU 351 Ca 0.16 0.08 -0.38 0.00 -0.02 0.00 0.00 57.16 57.00 3kn0 n GLU 351 Cb 0.61 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.08 5.06 0.18 2.62 1.01 -1.26 -5.02 120.40 119.91 3kn0 s VAL 352 Ca 0.10 0.87 -0.33 0.00 0.00 0.00 0.00 61.98 62.62 3kn0 s VAL 352 Cb 0.15 -3.74 -0.15 0.00 0.00 0.00 0.00 36.38 32.65 3kn0 s VAL 352 CO 0.65 0.52 1.31 0.41 0.00 0.00 0.00 175.10 177.99 3kn0 n THR 353 N 2.27 0.71 -1.65 3.92 -1.04 -1.26 -1.38 114.28 115.85 3kn0 n THR 353 Ca -0.12 -0.18 -0.20 0.00 -2.04 0.00 0.00 64.05 61.51 3kn0 n THR 353 Cb 0.52 -1.12 -0.08 0.00 -1.82 0.00 0.00 70.33 67.83 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 2.27 -5.42 -4.35 8.00 3.02 -1.26 -4.98 115.26 112.53 3kn0 n ASN 354 Ca 0.14 0.45 -0.31 0.00 -0.03 0.00 0.00 54.58 54.83 3kn0 n ASN 354 Cb 0.27 -4.66 -0.15 0.00 -0.61 0.00 0.00 39.78 34.63 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 -3.81 2.18 0.18 3.52 0.74 -0.48 -1.28 119.66 120.72 3kn0 s GLN 355 Ca 0.00 -0.89 0.00 0.00 0.05 0.00 0.00 55.36 54.52 3kn0 s GLN 355 Cb 0.00 -2.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.95 3kn0 s GLN 355 CO 0.00 0.57 0.07 -1.54 -0.55 0.00 0.00 175.29 173.84 3kn0 s SER 356 N -0.67 0.63 0.26 6.67 1.04 -0.33 -0.21 113.70 121.08 3kn0 s SER 356 Ca 0.10 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.28 3kn0 s SER 356 Cb -0.10 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 3kn0 s SER 356 CO -0.00 -0.72 0.16 0.72 0.98 0.00 0.00 173.24 174.38 3kn0 s PHE 357 N -3.93 1.42 0.05 5.02 -0.12 -0.58 -1.09 117.98 118.75 3kn0 s PHE 357 Ca 0.30 -1.41 0.04 0.00 -0.05 0.00 0.00 56.93 55.81 3kn0 s PHE 357 Cb 0.07 -0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 3kn0 s PHE 357 CO 0.07 -0.62 -0.12 -0.98 -0.05 0.00 0.00 175.22 173.51 3kn0 s ARG 358 N -3.93 0.73 -0.08 1.99 1.70 0.25 -0.19 118.95 119.42 3kn0 s ARG 358 Ca 0.38 -0.83 0.04 0.00 -0.47 0.00 0.00 55.73 54.85 3kn0 s ARG 358 Cb 0.06 -0.66 -0.01 0.00 -0.57 0.00 0.00 34.95 33.76 3kn0 s ARG 358 CO 0.17 0.15 -0.20 0.96 -1.08 0.00 0.00 175.30 175.30 3kn0 s ILE 359 N -1.18 2.51 -0.13 4.99 -4.36 -0.40 -1.14 121.20 121.48 3kn0 s ILE 359 Ca -0.04 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 59.48 3kn0 s ILE 359 Cb -0.09 -1.97 -0.00 0.00 1.25 0.00 0.00 42.46 41.64 3kn0 s ILE 359 CO 0.01 0.56 -0.19 -0.89 0.24 0.00 0.00 174.94 174.68 3kn0 s THR 360 N -0.04 2.42 -0.04 8.37 2.01 0.77 -1.38 115.64 127.75 3kn0 s THR 360 Ca -0.05 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 3kn0 s THR 360 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3kn0 s THR 360 CO 0.05 0.54 0.06 -0.63 -0.69 0.00 0.00 174.62 173.94 3kn0 s ILE 361 N 0.64 4.64 0.34 1.82 1.01 0.29 -2.14 121.20 127.80 3kn0 s ILE 361 Ca -0.10 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.30 3kn0 s ILE 361 Cb -0.16 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3kn0 s ILE 361 CO 0.02 0.45 0.39 -0.76 0.00 0.00 0.00 174.94 175.04 3kn0 s LEU 362 N -1.41 3.78 0.45 2.97 1.43 -1.26 -1.14 118.68 123.49 3kn0 s LEU 362 Ca 0.19 -0.35 0.31 0.00 -1.03 0.00 0.00 54.13 53.25 3kn0 s LEU 362 Cb -0.12 -2.48 1.50 0.00 0.03 0.00 0.00 46.19 45.12 3kn0 s LEU 362 CO 0.09 -0.41 1.93 1.55 0.23 0.00 0.00 176.35 179.75 3kn0 h PRO 363 N 1.06 0.00 0.00 1.29 0.13 -1.88 0.22 132.00 132.82 3kn0 h PRO 363 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.55 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.36 3kn0 n GLN 364 N -2.65 0.17 -0.13 0.86 3.00 -1.26 -0.91 117.38 116.45 3kn0 n GLN 364 Ca -0.01 0.53 -0.20 0.00 -0.01 0.00 0.00 57.00 57.31 3kn0 n GLN 364 Cb 0.15 -1.91 -0.12 0.00 0.00 0.00 0.00 30.24 28.36 3kn0 n GLN 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3kn0 n GLN 365 N -2.25 0.64 0.00 -1.09 3.00 0.73 -4.57 117.38 113.85 3kn0 n GLN 365 Ca 0.00 0.18 0.14 0.00 -0.01 0.00 0.00 57.00 57.32 3kn0 n GLN 365 Cb 0.13 -1.52 0.62 0.00 0.00 0.00 0.00 30.24 29.47 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 -3.46 0.00 -3.79 1.08 0.18 -1.01 -4.55 117.16 105.60 3kn0 n TYR 366 Ca -0.47 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 58.94 3kn0 n TYR 366 Cb 0.97 -0.03 -0.13 0.00 -0.38 0.00 0.00 39.34 39.77 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 -2.10 3.82 -0.27 -3.48 1.43 -0.09 -0.31 118.68 117.67 3kn0 s LEU 367 Ca 0.38 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 3kn0 s LEU 367 Cb 0.21 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3kn0 s LEU 367 CO 0.38 -0.20 0.55 -0.60 0.23 0.00 0.00 176.35 176.70 3kn0 s ARG 368 N 1.45 4.02 0.17 1.70 3.52 0.28 -4.79 118.95 125.31 3kn0 s ARG 368 Ca 0.01 0.32 -0.32 0.00 -0.13 0.00 0.00 55.73 55.61 3kn0 s ARG 368 Cb -0.17 -3.67 -0.12 0.00 -1.56 0.00 0.00 34.95 29.42 3kn0 s ARG 368 CO 0.01 -0.41 1.74 -2.30 -0.81 0.00 0.00 175.30 173.53 3kn0 n PRO 369 N 5.63 2.68 -3.93 5.12 -0.02 -1.26 -1.15 135.00 142.06 3kn0 n PRO 369 Ca -0.03 0.97 -0.10 0.00 -2.02 0.00 0.00 63.50 62.32 3kn0 n PRO 369 Cb 0.49 -2.82 -0.12 0.00 -0.02 0.00 0.00 33.50 31.04 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 1.58 0.08 0.17 -1.45 -7.23 -0.58 -4.63 120.40 108.33 3kn0 s VAL 370 Ca 0.78 -0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 3kn0 s VAL 370 Cb -0.53 -0.24 -0.08 0.00 0.56 0.00 0.00 36.38 36.10 3kn0 s VAL 370 CO 0.35 -0.35 1.19 -0.70 -0.31 0.00 0.00 175.10 175.28 3kn0 s GLU 371 N -1.05 4.50 0.35 4.82 2.56 -1.26 -4.11 118.70 124.50 3kn0 s GLU 371 Ca -0.12 1.85 -0.29 0.00 0.00 0.00 0.00 54.97 56.42 3kn0 s GLU 371 Cb -0.07 -3.25 -0.11 0.00 2.00 0.00 0.00 34.13 32.70 3kn0 s GLU 371 CO -0.00 -0.08 1.42 0.34 -0.56 0.00 0.00 175.26 176.37 3kn0 s ASP 372 N 0.18 6.53 0.00 -1.70 2.15 -1.26 -4.83 116.67 117.73 3kn0 s ASP 372 Ca 0.53 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.39 3kn0 s ASP 372 Cb -0.32 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.64 3kn0 s ASP 372 CO 0.36 -0.73 0.68 0.52 -0.17 0.00 0.00 175.17 175.82 3kn0 n VAL 373 N 0.80 0.87 0.39 1.11 0.31 -1.26 0.68 118.33 121.22 3kn0 n VAL 373 Ca 0.01 0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.65 3kn0 n VAL 373 Cb 0.40 -1.26 0.03 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.18 2.53 -0.84 3.52 0.00 -1.26 -4.96 120.51 118.31 3kn0 n ALA 374 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3kn0 n ALA 374 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3kn0 n ALA 374 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kn0 n THR 375 N 0.41 0.00 0.00 0.00 -1.04 0.21 -4.92 114.28 108.94 3kn0 n THR 375 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kn0 n THR 375 Cb 0.23 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3kn0 n THR 375 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3kn0 n SER 376 N -0.65 -0.94 -1.28 8.00 3.41 -1.26 -4.89 113.62 116.01 3kn0 n SER 376 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3kn0 n SER 376 Cb 0.36 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.94 2.75 -2.11 4.33 6.02 -1.26 -4.88 117.38 121.28 3kn0 n GLN 377 Ca 0.00 -2.61 -0.33 0.00 -0.01 0.00 0.00 57.00 54.05 3kn0 n GLN 377 Cb 0.00 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 29.73 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 -1.00 5.72 -0.30 1.08 1.01 -1.26 -3.56 116.67 118.37 3kn0 s ASP 378 Ca 0.46 1.95 -0.13 0.00 0.71 0.00 0.00 52.55 55.54 3kn0 s ASP 378 Cb 0.24 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3kn0 s ASP 378 CO 0.32 -1.21 0.28 -1.81 0.21 0.00 0.00 175.17 172.95 3kn0 s ASP 379 N -2.40 6.11 0.17 0.27 -0.00 0.04 -4.79 116.67 116.07 3kn0 s ASP 379 Ca 0.67 -0.04 0.10 0.00 -0.00 0.00 0.00 52.55 53.28 3kn0 s ASP 379 Cb -0.19 -2.16 -0.04 0.00 -0.00 0.00 0.00 42.92 40.53 3kn0 s ASP 379 CO 0.33 -0.16 -0.23 0.00 -0.00 0.00 0.00 175.17 175.11 3kn0 s TYR 381 N -1.60 0.03 0.06 0.00 1.51 -0.30 -1.52 117.35 115.53 3kn0 s TYR 381 Ca 0.17 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 3kn0 s TYR 381 Cb -0.08 0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 3kn0 s TYR 381 CO 0.08 -0.58 -0.18 0.15 -1.11 0.00 0.00 175.55 173.92 3kn0 s LYS 382 N -3.68 2.01 -0.18 -0.62 1.02 -0.30 -0.97 119.74 117.02 3kn0 s LYS 382 Ca 0.03 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 3kn0 s LYS 382 Cb 0.03 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 3kn0 s LYS 382 CO -0.10 0.52 1.39 0.12 -0.92 0.00 0.00 175.35 176.36 3kn0 s PHE 383 N -0.99 2.55 -0.50 3.18 5.36 -1.26 -0.55 117.98 125.76 3kn0 s PHE 383 Ca 0.16 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.90 3kn0 s PHE 383 Cb -0.11 -3.73 0.48 0.00 -0.34 0.00 0.00 43.02 39.33 3kn0 s PHE 383 CO 0.07 -2.27 1.93 0.00 -1.46 0.00 0.00 175.22 173.49 3kn0 n ALA 384 N 7.18 5.69 -3.58 11.12 0.00 0.57 -4.40 120.51 137.10 3kn0 n ALA 384 Ca 0.15 -2.83 -0.28 0.00 0.00 0.00 0.00 53.44 50.48 3kn0 n ALA 384 Cb 0.45 -1.56 -0.17 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.64 1.46 0.13 0.00 1.01 -1.26 -1.51 121.20 117.39 3kn0 s ILE 385 Ca 0.54 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3kn0 s ILE 385 Cb 0.44 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 3kn0 s ILE 385 CO 0.04 0.43 0.04 -0.94 0.00 0.00 0.00 174.94 174.51 3kn0 s SER 386 N 0.88 0.45 0.30 3.58 1.04 -0.57 -4.74 113.70 114.64 3kn0 s SER 386 Ca -0.09 -1.18 -0.29 0.00 0.48 0.00 0.00 55.95 54.87 3kn0 s SER 386 Cb -0.15 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.13 3kn0 s SER 386 CO 0.00 -0.69 1.19 -1.58 0.98 0.00 0.00 173.24 173.14 3kn0 s GLN 387 N -4.01 4.51 0.09 4.02 0.74 -1.26 -0.86 119.66 122.89 3kn0 s GLN 387 Ca 0.22 1.99 0.08 0.00 0.05 0.00 0.00 55.36 57.70 3kn0 s GLN 387 Cb 0.07 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 3kn0 s GLN 387 CO 0.01 0.03 -0.22 0.45 -0.55 0.00 0.00 175.29 175.01 3kn0 s SER 388 N -0.71 2.68 0.00 6.67 0.15 0.11 -4.73 113.70 117.86 3kn0 s SER 388 Ca 0.46 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.51 3kn0 s SER 388 Cb -0.35 -0.17 0.08 0.00 -1.71 0.00 0.00 66.02 63.86 3kn0 s SER 388 CO 0.46 0.11 0.82 -1.54 1.20 0.00 0.00 173.24 174.29 3kn0 n SER 389 N 1.26 1.78 -0.15 5.45 3.41 -1.26 -2.73 113.62 121.37 3kn0 n SER 389 Ca -0.19 -1.48 0.09 0.00 -0.26 0.00 0.00 58.87 57.04 3kn0 n SER 389 Cb 0.53 -0.04 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.21 1.84 -0.07 6.66 -2.24 -1.26 -4.87 114.28 114.56 3kn0 n THR 390 Ca 0.04 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 3kn0 n THR 390 Cb 0.20 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.34 -3.50 3.73 3.38 0.00 -1.24 -4.48 105.19 101.74 3kn0 n GLY 391 Ca 0.16 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.69 4.10 -0.19 2.61 2.01 -0.14 -4.28 115.64 119.06 3kn0 s THR 392 Ca 0.00 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.66 3kn0 s THR 392 Cb 0.00 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.49 3kn0 s THR 392 CO 0.00 0.21 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.34 3kn0 s VAL 393 N 0.37 1.63 -0.77 3.82 1.01 0.41 -1.28 120.40 125.58 3kn0 s VAL 393 Ca 0.53 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 3kn0 s VAL 393 Cb -0.28 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.54 3kn0 s VAL 393 CO 0.32 0.24 1.01 -0.04 0.00 0.00 0.00 175.10 176.63 3kn0 s MET 394 N 1.42 3.32 0.00 2.72 -1.94 0.02 -0.94 119.30 123.90 3kn0 s MET 394 Ca 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 3kn0 s MET 394 Cb -0.15 -4.54 0.00 0.00 2.01 0.00 0.00 34.83 32.14 3kn0 s MET 394 CO -0.09 -1.78 0.00 0.41 -0.01 0.00 0.00 175.02 173.56 3kn0 n GLY 395 N 5.41 -0.36 0.36 -0.03 0.00 -0.83 -1.06 105.19 108.68 3kn0 n GLY 395 Ca 0.08 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.53 1.49 0.00 4.61 0.00 -0.34 -1.54 119.26 121.94 3kn0 h ALA 396 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kn0 h ALA 396 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kn0 h ALA 396 CO 0.00 0.24 -0.14 -0.39 0.00 0.00 0.00 179.25 178.97 3kn0 h VAL 397 N 1.01 0.52 0.19 0.00 -1.51 -1.44 -0.76 116.25 114.25 3kn0 h VAL 397 Ca 0.49 -0.65 -0.33 0.00 -1.23 0.00 0.00 66.70 64.98 3kn0 h VAL 397 Cb 0.45 1.44 0.02 0.00 -2.13 0.00 0.00 31.29 31.07 3kn0 h VAL 397 CO -0.26 0.13 -1.52 0.40 -1.23 0.00 0.00 177.57 175.09 3kn0 h ILE 398 N 0.00 1.20 0.00 7.19 1.08 -1.57 -3.26 117.51 122.15 3kn0 h ILE 398 Ca -0.00 -2.73 -0.01 0.00 -0.39 0.00 0.00 64.86 61.73 3kn0 h ILE 398 Cb 0.43 2.90 -0.00 0.00 -3.07 0.00 0.00 36.82 37.08 3kn0 h ILE 398 CO 0.02 0.84 -0.05 0.24 -0.69 0.00 0.00 178.15 178.51 3kn0 h MET 399 N 0.11 0.00 0.00 2.37 2.86 -0.80 -2.09 114.93 117.38 3kn0 h MET 399 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3kn0 h MET 399 Cb 2.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.75 3kn0 h MET 399 CO 0.22 0.05 0.00 0.93 1.06 0.00 0.00 176.91 179.17 3kn0 h GLU 400 N 0.00 0.00 0.00 1.72 5.08 -1.20 -2.05 114.58 118.13 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 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3kn0 h GLU 400 CO 0.01 0.00 -0.70 0.78 -1.00 0.00 0.00 179.01 178.09 3kn0 h GLY 401 N 1.88 0.00 -3.18 -3.84 0.00 -1.53 -3.37 103.07 93.03 3kn0 h GLY 401 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3kn0 h GLY 401 CO 0.00 0.00 -0.71 -1.36 0.00 0.00 0.00 176.54 174.47 3kn0 s PHE 402 N -3.19 0.99 -0.22 5.60 0.40 -0.77 -1.66 117.98 119.12 3kn0 s PHE 402 Ca 0.05 -0.81 -0.17 0.00 -0.60 0.00 0.00 56.93 55.40 3kn0 s PHE 402 Cb 0.13 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 3kn0 s PHE 402 CO 0.74 -0.07 0.45 -0.47 0.70 0.00 0.00 175.22 176.56 3kn0 s TYR 403 N -3.24 3.33 -0.18 0.36 5.04 0.77 -4.47 117.35 118.96 3kn0 s TYR 403 Ca 0.11 0.62 -0.00 0.00 -2.44 0.00 0.00 57.07 55.35 3kn0 s TYR 403 Cb 0.02 -2.61 0.01 0.00 0.35 0.00 0.00 41.96 39.73 3kn0 s TYR 403 CO -0.02 -0.12 -0.15 0.08 -1.34 0.00 0.00 175.55 174.00 3kn0 s VAL 404 N 1.72 2.57 -0.31 3.14 1.01 -0.48 -1.90 120.40 126.15 3kn0 s VAL 404 Ca 0.20 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3kn0 s VAL 404 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3kn0 s VAL 404 CO 0.09 0.50 0.18 -0.69 0.00 0.00 0.00 175.10 175.18 3kn0 s VAL 405 N 1.21 4.95 -0.96 2.92 1.01 0.03 -0.15 120.40 129.41 3kn0 s VAL 405 Ca 0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3kn0 s VAL 405 Cb -0.14 -3.47 0.20 0.00 0.00 0.00 0.00 36.38 32.97 3kn0 s VAL 405 CO -0.07 0.11 1.02 -0.36 0.00 0.00 0.00 175.10 175.80 3kn0 s PHE 406 N 1.68 3.67 -1.15 5.22 0.08 0.92 -0.50 117.98 127.90 3kn0 s PHE 406 Ca 0.06 -2.00 -0.17 0.00 0.12 0.00 0.00 56.93 54.93 3kn0 s PHE 406 Cb -0.17 -4.01 0.12 0.00 -0.57 0.00 0.00 43.02 38.39 3kn0 s PHE 406 CO 0.08 -1.16 1.46 0.34 -0.10 0.00 0.00 175.22 175.84 3kn0 s ASP 407 N 2.45 6.83 0.24 1.36 -1.08 -0.38 -2.52 116.67 123.57 3kn0 s ASP 407 Ca 0.28 -2.41 -0.04 0.00 -0.52 0.00 0.00 52.55 49.85 3kn0 s ASP 407 Cb -0.08 -2.48 0.28 0.00 -1.46 0.00 0.00 42.92 39.18 3kn0 s ASP 407 CO -0.08 -1.05 1.77 0.03 0.52 0.00 0.00 175.17 176.37 3kn0 h ARG 408 N 8.01 0.95 0.00 4.34 3.08 -1.75 -1.01 114.38 128.00 3kn0 h ARG 408 Ca 0.30 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3kn0 h ARG 408 Cb 0.92 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3kn0 h ARG 408 CO 1.31 0.86 -0.18 0.00 -1.07 0.00 0.00 179.97 180.89 3kn0 h ALA 409 N 1.23 1.48 -0.18 0.04 0.00 -1.56 -2.57 119.26 117.70 3kn0 h ALA 409 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kn0 h ALA 409 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kn0 h ALA 409 CO 0.00 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.02 3kn0 n ARG 410 N -4.01 2.65 -3.90 0.00 1.74 -1.08 -5.00 116.66 107.06 3kn0 n ARG 410 Ca -0.02 -2.19 -0.27 0.00 -0.77 0.00 0.00 57.85 54.59 3kn0 n ARG 410 Cb 0.26 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 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 -0.32 -2.82 -3.72 5.56 4.81 -0.48 -4.92 118.16 116.25 3kn0 n LYS 411 Ca 0.12 0.40 -0.12 0.00 -0.87 0.00 0.00 58.31 57.84 3kn0 n LYS 411 Cb 0.53 -4.39 -0.07 0.00 0.02 0.00 0.00 35.03 31.12 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 -6.47 0.85 -0.13 1.64 1.70 -0.59 -1.14 118.95 114.81 3kn0 s ARG 412 Ca 0.10 -0.46 0.02 0.00 -0.47 0.00 0.00 55.73 54.92 3kn0 s ARG 412 Cb -0.04 0.37 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3kn0 s ARG 412 CO 0.89 -0.28 -0.18 0.42 -1.08 0.00 0.00 175.30 175.06 3kn0 s ILE 413 N -2.56 2.51 -0.00 4.99 1.01 0.17 -1.25 121.20 126.06 3kn0 s ILE 413 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3kn0 s ILE 413 Cb -0.01 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3kn0 s ILE 413 CO -0.03 0.53 0.10 -0.83 0.00 0.00 0.00 174.94 174.71 3kn0 s GLY 414 N 0.56 2.05 -0.04 6.18 0.00 0.35 -0.95 107.32 115.46 3kn0 s GLY 414 Ca -0.11 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.79 3kn0 s GLY 414 CO 0.04 -0.73 -0.14 -1.36 0.00 0.00 0.00 173.10 170.90 3kn0 s PHE 415 N -1.22 1.46 -0.01 1.90 0.40 0.20 -0.79 117.98 119.92 3kn0 s PHE 415 Ca 0.24 -0.41 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 3kn0 s PHE 415 Cb -0.12 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.41 3kn0 s PHE 415 CO 0.15 -0.14 0.15 0.00 0.70 0.00 0.00 175.22 176.08 3kn0 s ALA 416 N 0.09 -0.37 0.10 5.36 0.00 -0.80 -1.21 121.76 124.92 3kn0 s ALA 416 Ca -0.03 -0.02 -0.34 0.00 0.00 0.00 0.00 51.96 51.57 3kn0 s ALA 416 Cb -0.11 0.05 -0.13 0.00 0.00 0.00 0.00 23.12 22.94 3kn0 s ALA 416 CO 0.02 -0.20 1.69 0.28 0.00 0.00 0.00 175.76 177.55 3kn0 n VAL 417 N 1.64 0.19 -2.37 0.00 0.31 -1.24 -0.16 118.33 116.69 3kn0 n VAL 417 Ca -0.21 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 3kn0 n VAL 417 Cb 0.56 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.74 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 1.92 7.09 0.02 4.52 0.15 -0.66 -1.84 113.70 124.89 3kn0 s SER 418 Ca 0.82 2.29 0.13 0.00 0.70 0.00 0.00 55.95 59.89 3kn0 s SER 418 Cb -0.65 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 61.60 3kn0 s SER 418 CO 0.41 -0.34 1.41 0.00 1.20 0.00 0.00 173.24 175.92 3kn0 n ALA 419 N 2.07 1.57 -0.42 5.45 0.00 -0.48 -2.59 120.51 126.11 3kn0 n ALA 419 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.48 3kn0 n ALA 419 Cb 0.44 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.68 3.16 0.03 0.00 -0.00 -1.07 -4.56 115.29 111.17 3kn0 s HIS 421 Ca 0.18 1.59 -0.28 0.00 -0.00 0.00 0.00 55.06 56.54 3kn0 s HIS 421 Cb 0.13 -3.34 -0.04 0.00 -0.00 0.00 0.00 32.58 29.34 3kn0 s HIS 421 CO 0.05 -1.11 0.91 0.08 -0.00 0.00 0.00 174.74 174.67 3kn0 s VAL 422 N -1.43 4.76 0.00 -5.38 1.01 -1.26 -5.03 120.40 113.07 3kn0 s VAL 422 Ca 0.56 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.46 3kn0 s VAL 422 Cb -0.29 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3kn0 s VAL 422 CO 0.37 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.72 3kn0 n HIS 423 N 3.39 -0.31 -4.35 5.22 -0.00 -1.26 -4.73 115.22 113.18 3kn0 n HIS 423 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.56 3kn0 n HIS 423 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 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 -1.15 0.86 0.01 4.39 5.68 -1.20 -5.03 116.55 120.11 3kn0 n ASP 424 Ca 0.00 -2.65 0.08 0.00 -0.50 0.00 0.00 54.79 51.73 3kn0 n ASP 424 Cb 0.00 0.87 0.36 0.00 -1.14 0.00 0.00 41.12 41.21 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 -0.66 0.02 -0.04 0.11 0.00 -1.26 -3.67 120.64 115.15 3kn0 n GLU 425 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 57.16 57.38 3kn0 n GLU 425 Cb 0.46 -1.54 -0.14 0.00 0.00 0.00 0.00 31.44 30.23 3kn0 n GLU 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3kn0 n PHE 426 N -1.58 0.00 -3.96 -1.84 3.01 -1.26 -5.02 117.46 106.80 3kn0 n PHE 426 Ca 0.04 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.41 3kn0 n PHE 426 Cb 0.20 -0.60 -0.10 0.00 -0.01 0.00 0.00 39.48 38.96 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 -2.88 0.43 0.07 -1.08 0.52 -1.24 -5.17 118.95 109.61 3kn0 s ARG 427 Ca -0.07 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 3kn0 s ARG 427 Cb 0.09 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 3kn0 s ARG 427 CO 0.72 -0.09 -0.06 -0.08 0.02 0.00 0.00 175.30 175.82 3kn0 s THR 428 N -1.94 0.53 0.85 0.02 -1.32 -1.26 -3.22 115.64 109.29 3kn0 s THR 428 Ca -0.11 -1.71 -0.11 0.00 -1.21 0.00 0.00 61.69 58.56 3kn0 s THR 428 Cb -0.06 -1.39 0.10 0.00 -1.51 0.00 0.00 72.50 69.65 3kn0 s THR 428 CO -0.02 -0.80 1.11 0.00 -2.21 0.00 0.00 174.62 172.69 3kn0 s ALA 429 N -3.19 1.82 0.03 11.08 0.00 -1.26 -4.92 121.76 125.31 3kn0 s ALA 429 Ca 0.06 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 3kn0 s ALA 429 Cb 0.02 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3kn0 s ALA 429 CO -0.05 -2.23 0.33 0.00 0.00 0.00 0.00 175.76 173.80 3kn0 s ALA 430 N -2.81 -0.77 -0.16 0.00 0.00 -0.91 -4.96 121.76 112.15 3kn0 s ALA 430 Ca 0.63 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 3kn0 s ALA 430 Cb -0.19 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.22 3kn0 s ALA 430 CO 0.57 -0.37 -0.01 0.08 0.00 0.00 0.00 175.76 176.03 3kn0 s VAL 431 N -2.18 0.74 0.02 0.00 1.01 -1.26 -0.16 120.40 118.57 3kn0 s VAL 431 Ca -0.07 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kn0 s VAL 431 Cb -0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3kn0 s VAL 431 CO -0.01 0.03 -0.04 -1.61 0.00 0.00 0.00 175.10 173.47 3kn0 s GLU 432 N 1.79 0.34 0.11 2.72 2.02 -0.29 -4.86 118.70 120.52 3kn0 s GLU 432 Ca 0.01 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.21 3kn0 s GLU 432 Cb -0.15 -0.06 0.08 0.00 0.10 0.00 0.00 34.13 34.10 3kn0 s GLU 432 CO -0.07 -0.00 1.12 0.20 0.02 0.00 0.00 175.26 176.53 3kn0 s GLY 433 N -1.20 -0.03 0.36 -1.39 0.00 -1.26 -0.58 107.32 103.22 3kn0 s GLY 433 Ca -0.11 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.58 3kn0 s GLY 433 CO -0.00 2.82 0.51 2.56 0.00 0.00 0.00 173.10 178.98 3kn0 s PRO 434 N -2.25 3.03 -0.01 2.90 0.04 -1.26 -5.08 135.00 132.37 3kn0 s PRO 434 Ca 0.22 -1.06 0.04 0.00 0.04 0.00 0.00 61.00 60.25 3kn0 s PRO 434 Cb -0.01 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 3kn0 s PRO 434 CO 0.03 -0.04 -0.13 -0.06 0.04 0.00 0.00 177.00 176.83 3kn0 s PHE 435 N -2.24 1.21 -0.24 0.56 0.40 -0.25 -4.95 117.98 112.46 3kn0 s PHE 435 Ca 0.48 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 56.29 3kn0 s PHE 435 Cb -0.10 -0.77 0.01 0.00 0.51 0.00 0.00 43.02 42.67 3kn0 s PHE 435 CO 0.32 -0.02 1.10 0.08 0.70 0.00 0.00 175.22 177.40 3kn0 s VAL 436 N -0.33 4.54 -0.05 -0.44 1.01 -1.26 -1.19 120.40 122.67 3kn0 s VAL 436 Ca 0.05 1.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.87 3kn0 s VAL 436 Cb -0.05 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3kn0 s VAL 436 CO -0.00 -0.25 -0.02 -0.89 0.00 0.00 0.00 175.10 173.93 3kn0 s THR 437 N 3.42 0.44 0.16 3.92 2.01 -0.40 -4.95 115.64 120.24 3kn0 s THR 437 Ca 0.47 -0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 3kn0 s THR 437 Cb -0.16 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 3kn0 s THR 437 CO 0.10 0.23 0.34 -0.76 -0.69 0.00 0.00 174.62 173.84 3kn0 s LEU 438 N 1.37 4.28 -1.54 4.42 1.43 -1.26 -4.20 118.68 123.18 3kn0 s LEU 438 Ca -0.04 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3kn0 s LEU 438 Cb -0.13 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.00 3kn0 s LEU 438 CO -0.02 0.02 0.00 0.47 0.23 0.00 0.00 176.35 177.05 3kn0 n ASP 439 N -0.42 -5.08 0.13 2.29 10.43 -1.26 -4.85 116.55 117.78 3kn0 n ASP 439 Ca -0.05 0.10 0.08 0.00 2.57 0.00 0.00 54.79 57.49 3kn0 n ASP 439 Cb 0.53 -4.29 0.43 0.00 1.84 0.00 0.00 41.12 39.64 3kn0 n ASP 439 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 3kn0 n MET 440 N -2.86 0.10 0.11 -1.24 2.81 -1.26 -0.81 117.12 113.98 3kn0 n MET 440 Ca -0.21 0.59 0.13 0.00 -1.81 0.00 0.00 57.70 56.41 3kn0 n MET 440 Cb 0.65 -1.88 0.38 0.00 -0.71 0.00 0.00 33.22 31.66 3kn0 n MET 440 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kn0 h GLU 441 N 0.00 0.00 -0.00 0.03 5.08 -1.98 -2.75 114.58 114.96 3kn0 h GLU 441 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kn0 h GLU 441 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kn0 h GLU 441 CO 0.00 0.00 -0.05 -0.25 -1.00 0.00 0.00 179.01 177.71 3kn0 n ASP 442 N -2.33 0.09 0.17 1.42 8.00 0.01 -2.94 116.55 120.97 3kn0 n ASP 442 Ca 0.05 0.11 0.12 0.00 0.71 0.00 0.00 54.79 55.79 3kn0 n ASP 442 Cb 0.44 -0.32 0.22 0.00 -0.02 0.00 0.00 41.12 41.43 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 -4.03 2.76 -0.05 0.00 0.00 -1.15 -4.04 107.32 100.81 3kn0 s GLY 444 Ca 0.07 0.59 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 3kn0 s GLY 444 CO 0.67 1.02 0.37 -0.47 0.00 0.00 0.00 173.10 174.68 3kn0 s TYR 445 N -1.66 3.65 -0.43 1.90 5.04 -1.26 -4.98 117.35 119.61 3kn0 s TYR 445 Ca 0.53 0.87 0.03 0.00 -2.44 0.00 0.00 57.07 56.07 3kn0 s TYR 445 Cb -0.20 -2.28 0.03 0.00 0.35 0.00 0.00 41.96 39.86 3kn0 s TYR 445 CO 0.25 0.55 0.61 0.09 -1.34 0.00 0.00 175.55 175.71