#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 3.17 -0.21 2.98 0.00 -1.26 -5.02 121.76 121.42 1i41 s ALA 51 Ca 0.00 -1.31 0.17 0.00 0.00 0.00 0.00 51.96 50.81 1i41 s ALA 51 Cb 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 23.12 22.22 1i41 s ALA 51 CO 0.00 0.54 1.40 0.66 0.00 0.00 0.00 175.76 178.36 1i41 h SER 52 N 2.96 0.00 -0.51 0.00 4.64 -2.07 -3.23 113.55 115.34 1i41 h SER 52 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1i41 h SER 52 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1i41 h SER 52 CO 0.57 0.40 0.00 2.22 -0.87 0.00 0.00 176.83 179.15 1i41 n PHE 53 N -3.15 0.96 -3.64 4.77 1.16 -1.26 -4.65 117.46 111.64 1i41 n PHE 53 Ca 0.01 -0.41 -0.29 0.00 -1.87 0.00 0.00 57.45 54.89 1i41 n PHE 53 Cb 0.70 -0.11 -0.13 0.00 -1.61 0.00 0.00 39.48 38.33 1i41 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i41 s LEU 54 N -1.29 2.27 -0.15 5.98 1.43 -1.22 -4.94 118.68 120.75 1i41 s LEU 54 Ca 0.38 -2.54 0.16 0.00 -1.03 0.00 0.00 54.13 51.10 1i41 s LEU 54 Cb 0.22 -0.87 -0.24 0.00 0.03 0.00 0.00 46.19 45.33 1i41 s LEU 54 CO 0.21 -0.27 0.24 0.59 0.23 0.00 0.00 176.35 177.35 1i41 n ASN 55 N 3.63 0.26 -4.70 2.29 3.02 -1.26 -4.70 115.26 113.79 1i41 n ASN 55 Ca 0.10 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1i41 n ASN 55 Cb 0.35 0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 1i41 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i41 s SER 56 N -5.67 7.33 0.24 6.41 0.15 -1.26 -4.95 113.70 115.96 1i41 s SER 56 Ca -0.08 1.61 -0.09 0.00 0.70 0.00 0.00 55.95 58.09 1i41 s SER 56 Cb 0.07 -2.56 0.39 0.00 -1.71 0.00 0.00 66.02 62.20 1i41 s SER 56 CO 0.83 -0.30 1.61 0.44 1.20 0.00 0.00 173.24 177.02 1i41 h ASP 57 N 6.88 -0.58 -0.43 5.45 3.32 -1.99 -0.95 116.42 128.12 1i41 h ASP 57 Ca -0.38 0.22 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1i41 h ASP 57 Cb 1.20 0.43 -0.06 0.00 0.22 0.00 0.00 39.33 41.12 1i41 h ASP 57 CO 0.78 -0.24 0.06 1.23 -1.72 0.00 0.00 179.24 179.35 1i41 h GLY 58 N 0.03 0.49 0.62 2.75 0.00 -1.99 0.24 103.07 105.22 1i41 h GLY 58 Ca 0.40 -0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1i41 h GLY 58 CO -0.76 -0.06 0.46 1.76 0.00 0.00 0.00 176.54 177.94 1i41 h SER 59 N 0.19 0.69 0.40 0.19 0.02 -1.59 -2.38 113.55 111.06 1i41 h SER 59 Ca 0.21 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1i41 h SER 59 Cb 0.28 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1i41 h SER 59 CO -0.30 0.42 -0.19 0.58 -1.14 0.00 0.00 176.83 176.20 1i41 h VAL 60 N 0.81 0.00 -1.60 2.27 2.07 -0.62 -1.75 116.25 117.44 1i41 h VAL 60 Ca 0.37 -0.00 0.47 0.00 0.82 0.00 0.00 66.70 68.35 1i41 h VAL 60 Cb 0.26 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1i41 h VAL 60 CO -0.21 0.00 1.15 0.00 0.02 0.00 0.00 177.57 178.53 1i41 n ALA 61 N -2.27 1.53 -0.06 1.67 0.00 0.70 0.21 120.51 122.30 1i41 n ALA 61 Ca -0.07 0.54 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 1i41 n ALA 61 Cb 0.21 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1i41 n ALA 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i41 h ILE 62 N 0.00 0.05 -0.07 0.00 2.04 -1.02 -3.40 117.51 115.11 1i41 h ILE 62 Ca 0.77 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1i41 h ILE 62 Cb 3.06 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1i41 h ILE 62 CO -0.02 0.02 0.00 1.41 0.00 0.00 0.00 178.15 179.56 1i41 n HIS 63 N -4.72 0.07 -1.68 1.37 8.25 0.09 -4.89 115.22 113.71 1i41 n HIS 63 Ca -0.03 -0.03 -0.45 0.00 -0.26 0.00 0.00 57.72 56.94 1i41 n HIS 63 Cb 0.11 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 1i41 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i41 n ALA 64 N 0.63 1.43 -3.48 -1.41 0.00 0.58 -1.95 120.51 116.31 1i41 n ALA 64 Ca 0.17 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1i41 n ALA 64 Cb 0.44 -2.54 0.07 0.00 0.00 0.00 0.00 19.45 17.42 1i41 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i41 n GLY 65 N 4.26 -0.49 2.14 0.00 0.00 -1.26 -4.30 105.19 105.53 1i41 n GLY 65 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1i41 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i41 n GLU 66 N -4.72 0.00 -0.32 1.61 1.02 -0.82 -4.79 120.64 112.61 1i41 n GLU 66 Ca -0.01 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.29 1i41 n GLU 66 Cb 0.57 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 32.38 1i41 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i41 h ARG 67 N 0.00 0.61 0.00 3.49 9.65 -1.77 -2.15 114.38 124.21 1i41 h ARG 67 Ca 0.00 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.65 1i41 h ARG 67 Cb 0.00 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 1i41 h ARG 67 CO 0.00 0.40 -1.20 -0.07 2.80 0.00 0.00 179.97 181.90 1i41 h LEU 68 N 0.63 0.00 0.00 3.80 3.38 -1.93 -3.49 115.31 117.69 1i41 h LEU 68 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1i41 h LEU 68 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1i41 h LEU 68 CO -0.33 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1i41 n GLY 69 N 1.38 1.71 0.00 0.83 0.00 -0.81 -5.07 105.19 103.23 1i41 n GLY 69 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1i41 n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i41 n ARG 70 N -0.57 2.70 -0.08 1.61 0.63 -1.26 -3.70 116.66 116.00 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1i41 n ARG 70 Cb 0.00 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i41 n GLY 71 N 1.35 0.75 2.35 5.14 0.00 -1.26 -4.91 105.19 108.62 1i41 n GLY 71 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 0.30 -1.37 -0.61 3.06 -1.26 -5.10 119.36 112.38 1i41 n ILE 72 Ca 0.00 -4.34 -0.53 0.00 -2.50 0.00 0.00 62.75 55.38 1i41 n ILE 72 Cb 0.00 -1.97 -0.08 0.00 0.54 0.00 0.00 39.64 38.13 1i41 n ILE 72 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1i41 n VAL 73 N 1.53 0.00 -3.57 9.51 0.31 -1.26 -4.98 118.33 119.87 1i41 n VAL 73 Ca 0.25 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.41 1i41 n VAL 73 Cb 0.47 -0.34 -0.07 0.00 -0.91 0.00 0.00 33.84 33.00 1i41 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i41 s THR 74 N 2.02 0.01 -0.60 2.52 -4.23 -1.26 -5.01 115.64 109.08 1i41 s THR 74 Ca 0.82 -0.04 0.10 0.00 -1.18 0.00 0.00 61.69 61.39 1i41 s THR 74 Cb -1.17 -0.95 0.57 0.00 1.34 0.00 0.00 72.50 72.29 1i41 s THR 74 CO 0.62 -0.02 1.38 -0.90 -0.54 0.00 0.00 174.62 175.16 1i41 n ASP 75 N 1.41 4.19 -4.88 3.99 5.75 -1.26 -4.90 116.55 120.84 1i41 n ASP 75 Ca -0.18 -2.60 -0.30 0.00 -0.01 0.00 0.00 54.79 51.71 1i41 n ASP 75 Cb 0.56 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 1i41 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i41 s ALA 76 N -2.16 3.46 -0.06 2.12 0.00 -1.26 -5.03 121.76 118.84 1i41 s ALA 76 Ca 0.38 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 1i41 s ALA 76 Cb 0.28 -2.54 -0.15 0.00 0.00 0.00 0.00 23.12 20.71 1i41 s ALA 76 CO 0.12 0.13 0.77 0.82 0.00 0.00 0.00 175.76 177.61 1i41 h ILE 77 N 1.29 0.83 -4.39 0.00 2.04 -2.03 -3.47 117.51 111.79 1i41 h ILE 77 Ca -0.47 -1.22 -0.46 0.00 1.00 0.00 0.00 64.86 63.70 1i41 h ILE 77 Cb 1.19 1.44 0.11 0.00 -0.74 0.00 0.00 36.82 38.81 1i41 h ILE 77 CO 0.65 0.23 0.38 0.42 0.00 0.00 0.00 178.15 179.83 1i41 s THR 78 N -3.12 2.04 0.12 -0.27 -4.23 -1.26 -5.00 115.64 103.92 1i41 s THR 78 Ca -0.12 -0.05 -0.28 0.00 -1.18 0.00 0.00 61.69 60.07 1i41 s THR 78 Cb 0.00 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.78 1i41 s THR 78 CO 0.44 0.00 0.87 -0.89 -0.54 0.00 0.00 174.62 174.50 1i41 s THR 79 N -3.57 4.47 0.16 3.99 2.01 -1.26 -5.03 115.64 116.41 1i41 s THR 79 Ca 0.63 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 64.23 1i41 s THR 79 Cb -0.10 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 1i41 s THR 79 CO 0.49 0.40 0.91 -2.16 -0.69 0.00 0.00 174.62 173.57 1i41 s PRO 80 N -0.41 4.72 -0.34 4.92 0.05 -1.26 -5.00 135.00 137.67 1i41 s PRO 80 Ca 0.42 1.40 -0.27 0.00 0.05 0.00 0.00 61.00 62.59 1i41 s PRO 80 Cb -0.23 -3.33 0.02 0.00 0.05 0.00 0.00 34.50 31.01 1i41 s PRO 80 CO 0.28 0.37 1.00 0.08 0.05 0.00 0.00 177.00 178.78 1i41 s VAL 81 N -0.57 4.55 -0.47 -0.36 1.01 -1.26 -4.52 120.40 118.78 1i41 s VAL 81 Ca 0.43 1.47 -0.17 0.00 0.00 0.00 0.00 61.98 63.71 1i41 s VAL 81 Cb -0.24 -4.37 0.06 0.00 0.00 0.00 0.00 36.38 31.82 1i41 s VAL 81 CO 0.30 -0.51 0.46 -0.69 0.00 0.00 0.00 175.10 174.66 1i41 s VAL 82 N 3.57 5.10 -1.16 2.92 1.01 -1.26 -4.99 120.40 125.59 1i41 s VAL 82 Ca 0.42 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1i41 s VAL 82 Cb -0.12 -4.15 0.25 0.00 0.00 0.00 0.00 36.38 32.36 1i41 s VAL 82 CO 0.17 -0.60 1.50 0.59 0.00 0.00 0.00 175.10 176.76 1i41 n ASN 83 N 5.56 5.72 -4.25 3.32 3.02 -1.26 -4.76 115.26 122.61 1i41 n ASN 83 Ca -0.10 -3.19 -0.23 0.00 -0.03 0.00 0.00 54.58 51.03 1i41 n ASN 83 Cb 0.45 -1.39 -0.13 0.00 -0.61 0.00 0.00 39.78 38.10 1i41 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i41 s THR 84 N -1.03 1.58 -0.97 3.41 -1.32 -1.26 -5.03 115.64 111.02 1i41 s THR 84 Ca 0.35 -1.40 0.20 0.00 -1.21 0.00 0.00 61.69 59.63 1i41 s THR 84 Cb 0.02 -1.43 -0.22 0.00 -1.51 0.00 0.00 72.50 69.36 1i41 s THR 84 CO 0.03 -0.02 0.88 -1.54 -2.21 0.00 0.00 174.62 171.75 1i41 n SER 85 N 1.33 0.97 -3.62 8.08 3.41 -1.26 -4.73 113.62 117.80 1i41 n SER 85 Ca -0.19 -0.99 -0.09 0.00 -0.26 0.00 0.00 58.87 57.34 1i41 n SER 85 Cb 0.54 1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.47 1i41 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i41 s ALA 86 N -2.94 -1.49 0.07 7.33 0.00 -1.26 -2.26 121.76 121.21 1i41 s ALA 86 Ca 0.08 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.34 1i41 s ALA 86 Cb 0.16 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1i41 s ALA 86 CO 0.85 -0.89 -0.24 0.71 0.00 0.00 0.00 175.76 176.19 1i41 s TYR 87 N -3.71 2.10 0.53 0.00 1.51 -0.23 -4.90 117.35 112.66 1i41 s TYR 87 Ca 0.06 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1i41 s TYR 87 Cb -0.03 -1.21 0.05 0.00 -0.11 0.00 0.00 41.96 40.66 1i41 s TYR 87 CO -0.04 0.17 0.59 -0.59 -1.11 0.00 0.00 175.55 174.57 1i41 s PHE 88 N -0.91 1.77 0.05 2.71 -0.12 -1.26 -4.78 117.98 115.44 1i41 s PHE 88 Ca 0.10 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.31 1i41 s PHE 88 Cb -0.10 -2.12 -0.03 0.00 -0.63 0.00 0.00 43.02 40.15 1i41 s PHE 88 CO 0.03 -0.73 -0.10 -0.06 -0.05 0.00 0.00 175.22 174.31 1i41 s PHE 89 N -2.65 0.90 0.08 3.49 0.40 -1.26 -5.06 117.98 113.89 1i41 s PHE 89 Ca 0.50 -0.48 0.13 0.00 -0.60 0.00 0.00 56.93 56.48 1i41 s PHE 89 Cb -0.05 -0.52 0.18 0.00 0.51 0.00 0.00 43.02 43.14 1i41 s PHE 89 CO 0.31 -0.02 1.49 -0.91 0.70 0.00 0.00 175.22 176.79 1i41 h ASN 90 N 4.43 0.00 -3.63 1.36 2.35 -2.01 -3.47 115.58 114.61 1i41 h ASN 90 Ca -0.38 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1i41 h ASN 90 Cb 1.20 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.32 1i41 h ASN 90 CO 0.40 0.65 0.45 -1.59 -1.65 0.00 0.00 177.43 175.69 1i41 s LYS 91 N -3.15 0.58 0.35 0.81 -2.85 -1.26 -5.03 119.74 109.18 1i41 s LYS 91 Ca 0.01 0.46 0.15 0.00 -1.00 0.00 0.00 55.97 55.59 1i41 s LYS 91 Cb 0.10 0.28 1.15 0.00 -2.06 0.00 0.00 37.83 37.30 1i41 s LYS 91 CO 0.76 -0.12 1.57 2.41 0.10 0.00 0.00 175.35 180.07 1i41 n THR 92 N 1.70 -0.42 -0.21 3.79 -1.04 -1.26 0.16 114.28 117.00 1i41 n THR 92 Ca -0.12 2.07 -0.02 0.00 -2.04 0.00 0.00 64.05 63.94 1i41 n THR 92 Cb 0.56 -3.25 0.04 0.00 -1.82 0.00 0.00 70.33 65.86 1i41 n THR 92 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1i41 h SER 93 N 0.00 -0.88 0.05 8.00 0.87 -2.00 -0.15 113.55 119.44 1i41 h SER 93 Ca 0.77 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 61.54 1i41 h SER 93 Cb 1.91 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 64.36 1i41 h SER 93 CO -0.82 -0.26 -0.02 -0.33 -0.53 0.00 0.00 176.83 174.86 1i41 h GLU 94 N -0.08 -0.06 -0.63 2.24 5.08 -0.70 -2.45 114.58 117.97 1i41 h GLU 94 Ca 0.28 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 1i41 h GLU 94 Cb 0.52 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.67 1i41 h GLU 94 CO -0.68 0.09 -0.24 1.25 -1.00 0.00 0.00 179.01 178.43 1i41 h LEU 95 N -0.20 -0.84 -0.03 1.33 5.85 -1.00 0.11 115.31 120.53 1i41 h LEU 95 Ca -0.01 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1i41 h LEU 95 Cb 0.18 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1i41 h LEU 95 CO 0.01 -0.26 -0.44 0.40 -0.34 0.00 0.00 178.44 177.82 1i41 h ILE 96 N -0.07 0.13 -0.82 4.05 2.04 -0.89 0.89 117.51 122.83 1i41 h ILE 96 Ca 0.29 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.28 1i41 h ILE 96 Cb 0.52 0.13 -0.14 0.00 -0.74 0.00 0.00 36.82 36.59 1i41 h ILE 96 CO -0.68 0.00 -0.35 0.44 0.00 0.00 0.00 178.15 177.56 1i41 h ASP 97 N -0.57 -1.25 0.12 1.72 3.32 -0.38 0.54 116.42 119.92 1i41 h ASP 97 Ca 0.05 0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.38 1i41 h ASP 97 Cb 0.66 0.66 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 1i41 h ASP 97 CO -0.34 -0.29 -0.20 0.15 -1.72 0.00 0.00 179.24 176.83 1i41 h PHE 98 N -0.06 -0.53 -0.14 4.55 3.57 -0.00 0.25 116.94 124.57 1i41 h PHE 98 Ca 0.31 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.86 1i41 h PHE 98 Cb 0.58 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1i41 h PHE 98 CO -0.76 -0.29 0.15 0.87 -2.23 0.00 0.00 178.31 176.05 1i41 h LYS 99 N -0.39 0.00 -0.63 1.11 1.79 0.16 0.23 116.57 118.84 1i41 h LYS 99 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1i41 h LYS 99 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1i41 h LYS 99 CO -0.10 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.66 1i41 n GLU 100 N -3.85 2.98 -3.31 3.15 1.02 0.16 -4.94 120.64 115.85 1i41 n GLU 100 Ca 0.01 -2.34 -0.20 0.00 -0.02 0.00 0.00 57.16 54.61 1i41 n GLU 100 Cb 0.27 -1.68 0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1i41 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i41 n LYS 101 N 1.07 -6.13 -0.00 3.49 4.01 0.80 -4.90 118.16 116.50 1i41 n LYS 101 Ca 0.21 0.70 0.03 0.00 -0.51 0.00 0.00 58.31 58.74 1i41 n LYS 101 Cb 0.68 -5.30 -0.04 0.00 -0.51 0.00 0.00 35.03 29.86 1i41 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i41 n ARG 102 N -4.09 3.79 -4.24 1.97 1.74 0.76 -5.00 116.66 111.59 1i41 n ARG 102 Ca -0.01 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 1i41 n ARG 102 Cb 0.56 -0.89 -0.10 0.00 -1.02 0.00 0.00 32.46 31.01 1i41 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i41 s ARG 103 N -1.82 1.08 -0.14 5.56 3.52 -1.21 -4.86 118.95 121.07 1i41 s ARG 103 Ca 0.01 -1.50 -0.01 0.00 -0.13 0.00 0.00 55.73 54.11 1i41 s ARG 103 Cb 0.05 -0.40 -0.01 0.00 -1.56 0.00 0.00 34.95 33.03 1i41 s ARG 103 CO 0.28 -0.05 -0.12 0.00 -0.81 0.00 0.00 175.30 174.60 1i41 s ALA 104 N -3.53 2.66 -0.20 6.12 0.00 -1.26 -4.52 121.76 121.03 1i41 s ALA 104 Ca 0.21 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 1i41 s ALA 104 Cb 0.05 -1.29 0.10 0.00 0.00 0.00 0.00 23.12 21.98 1i41 s ALA 104 CO 0.02 0.15 0.89 0.45 0.00 0.00 0.00 175.76 177.27 1i41 s SER 105 N 0.51 -0.53 0.44 0.00 0.15 -1.26 -5.03 113.70 107.98 1i41 s SER 105 Ca -0.08 0.81 0.24 0.00 0.70 0.00 0.00 55.95 57.62 1i41 s SER 105 Cb -0.16 0.75 0.52 0.00 -1.71 0.00 0.00 66.02 65.43 1i41 s SER 105 CO 0.04 -0.32 1.67 -0.26 1.20 0.00 0.00 173.24 175.57 1i41 h PHE 106 N 3.63 0.00 0.00 3.44 0.04 -1.94 -3.47 116.94 118.64 1i41 h PHE 106 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1i41 h PHE 106 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1i41 h PHE 106 CO 0.34 0.09 0.00 -1.91 -0.60 0.00 0.00 178.31 176.23 1i41 n GLU 107 N -3.14 0.00 -4.29 1.51 2.13 -1.26 -4.41 120.64 111.17 1i41 n GLU 107 Ca 0.03 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.56 1i41 n GLU 107 Cb 0.51 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.12 1i41 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i41 s TYR 108 N 0.00 2.59 0.53 4.31 5.04 -1.26 -1.07 117.35 127.49 1i41 s TYR 108 Ca 0.00 -0.24 0.18 0.00 -2.44 0.00 0.00 57.07 54.57 1i41 s TYR 108 Cb 0.00 -1.34 1.34 0.00 0.35 0.00 0.00 41.96 42.31 1i41 s TYR 108 CO 0.00 0.43 2.16 0.78 -1.34 0.00 0.00 175.55 177.58 1i41 h GLY 109 N 3.47 0.00 1.94 8.97 0.00 -1.67 -1.35 103.07 114.43 1i41 h GLY 109 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1i41 h GLY 109 CO 0.49 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.90 1i41 n ARG 110 N -4.43 0.04 -0.01 4.80 0.63 -1.26 -3.07 116.66 113.35 1i41 n ARG 110 Ca -0.03 0.17 0.10 0.00 -0.92 0.00 0.00 57.85 57.17 1i41 n ARG 110 Cb 0.10 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.35 1i41 n ARG 110 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1i41 n TYR 111 N -1.47 0.00 0.00 -0.14 4.01 -0.52 -4.76 117.16 114.28 1i41 n TYR 111 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1i41 n TYR 111 Cb 0.21 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1i41 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 112 N 1.38 1.06 3.58 2.72 0.00 -1.17 -5.00 105.19 107.76 1i41 n GLY 112 Ca -0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1i41 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i41 s ASN 113 N 0.00 -0.81 0.32 1.61 3.84 -1.26 -4.46 114.94 114.18 1i41 s ASN 113 Ca 0.00 1.40 0.04 0.00 0.21 0.00 0.00 52.86 54.51 1i41 s ASN 113 Cb 0.00 1.33 0.66 0.00 -0.55 0.00 0.00 41.25 42.68 1i41 s ASN 113 CO 0.00 -0.23 1.88 1.55 -2.79 0.00 0.00 177.10 177.51 1i41 h PRO 114 N 6.27 0.85 0.00 0.43 0.13 -1.97 -0.55 132.00 137.17 1i41 h PRO 114 Ca -0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1i41 h PRO 114 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1i41 h PRO 114 CO 0.14 0.56 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1i41 h THR 115 N 0.88 0.00 0.00 1.56 1.03 -1.89 -3.33 112.91 111.16 1i41 h THR 115 Ca 0.43 -0.63 -0.14 0.00 -0.01 0.00 0.00 66.41 66.06 1i41 h THR 115 Cb 0.47 1.59 -0.02 0.00 -1.07 0.00 0.00 68.15 69.12 1i41 h THR 115 CO -0.20 0.00 -1.00 0.41 -0.01 0.00 0.00 175.52 174.72 1i41 n THR 116 N -2.73 1.48 -0.36 0.00 -1.04 -0.34 -4.29 114.28 107.00 1i41 n THR 116 Ca 0.03 0.07 0.33 0.00 -2.04 0.00 0.00 64.05 62.44 1i41 n THR 116 Cb 0.41 -2.20 0.59 0.00 -1.82 0.00 0.00 70.33 67.31 1i41 n THR 116 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1i41 n VAL 117 N -4.50 -0.33 0.10 12.58 0.24 -0.45 0.36 118.33 126.32 1i41 n VAL 117 Ca -0.22 1.82 -0.09 0.00 -2.04 0.00 0.00 64.34 63.81 1i41 n VAL 117 Cb 0.51 -2.97 -0.05 0.00 -1.47 0.00 0.00 33.84 29.85 1i41 n VAL 117 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1i41 h VAL 118 N 0.00 0.00 -1.00 3.34 2.07 -1.75 0.48 116.25 119.39 1i41 h VAL 118 Ca 0.81 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.55 1i41 h VAL 118 Cb 2.33 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.00 1i41 h VAL 118 CO -0.61 0.00 0.62 0.25 0.02 0.00 0.00 177.57 177.85 1i41 h LEU 119 N -0.46 0.63 0.62 2.57 5.85 -0.29 0.13 115.31 124.36 1i41 h LEU 119 Ca -0.02 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1i41 h LEU 119 Cb 0.43 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1i41 h LEU 119 CO -0.10 0.17 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.37 1i41 h GLU 120 N 0.59 -1.02 -0.96 1.25 5.08 0.58 -1.72 114.58 118.38 1i41 h GLU 120 Ca 0.59 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 59.06 1i41 h GLU 120 Cb 1.16 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 1i41 h GLU 120 CO -0.36 -0.68 0.62 0.93 -1.00 0.00 0.00 179.01 178.53 1i41 h GLU 121 N -1.06 1.15 0.24 2.33 5.08 0.13 -1.45 114.58 121.00 1i41 h GLU 121 Ca -0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1i41 h GLU 121 Cb 0.88 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1i41 h GLU 121 CO 0.02 0.76 -0.47 -0.22 -1.00 0.00 0.00 179.01 178.10 1i41 h LYS 122 N 1.19 -0.75 -0.68 2.33 3.64 -0.50 0.87 116.57 122.67 1i41 h LYS 122 Ca 0.39 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1i41 h LYS 122 Cb 0.04 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1i41 h LYS 122 CO -0.14 -0.50 0.44 0.82 -2.27 0.00 0.00 179.45 177.80 1i41 h ILE 123 N -0.78 1.13 -0.37 2.00 2.04 -1.14 -1.36 117.51 119.03 1i41 h ILE 123 Ca -0.01 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1i41 h ILE 123 Cb 0.75 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1i41 h ILE 123 CO -0.20 0.16 -0.52 0.28 0.00 0.00 0.00 178.15 177.88 1i41 h SER 124 N 0.87 -1.71 -0.70 1.72 0.02 -0.58 0.32 113.55 113.48 1i41 h SER 124 Ca 0.26 0.23 0.12 0.00 -0.84 0.00 0.00 61.79 61.57 1i41 h SER 124 Cb -0.03 0.71 -0.09 0.00 0.14 0.00 0.00 62.40 63.13 1i41 h SER 124 CO -0.08 -0.41 0.27 0.00 -1.14 0.00 0.00 176.83 175.47 1i41 h ALA 125 N 0.07 0.95 0.54 3.77 0.00 -0.25 0.41 119.26 124.74 1i41 h ALA 125 Ca 0.09 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1i41 h ALA 125 Cb 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1i41 h ALA 125 CO -0.57 -0.20 -0.37 -0.07 0.00 0.00 0.00 179.25 178.04 1i41 h LEU 126 N 0.44 -0.96 0.00 0.00 3.38 0.09 -1.93 115.31 116.33 1i41 h LEU 126 Ca 0.37 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1i41 h LEU 126 Cb 0.52 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1i41 h LEU 126 CO -0.37 -0.56 0.00 -0.62 0.09 0.00 0.00 178.44 176.98 1i41 n GLU 127 N -5.50 0.27 -3.16 1.13 -0.58 -0.24 -4.88 120.64 107.68 1i41 n GLU 127 Ca -0.12 0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.54 1i41 n GLU 127 Cb 0.39 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1i41 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i41 n GLY 128 N 0.73 -0.01 4.00 0.62 0.00 0.12 -4.71 105.19 105.93 1i41 n GLY 128 Ca 0.10 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1i41 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 129 N -3.18 4.04 -0.04 4.61 0.00 0.28 -4.99 121.76 122.49 1i41 s ALA 129 Ca 0.36 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1i41 s ALA 129 Cb -0.16 -1.87 -0.30 0.00 0.00 0.00 0.00 23.12 20.79 1i41 s ALA 129 CO 0.45 -1.07 0.70 1.49 0.00 0.00 0.00 175.76 177.32 1i41 h GLU 130 N -0.14 0.36 -1.91 0.00 4.81 -1.82 -3.43 114.58 112.45 1i41 h GLU 130 Ca -0.36 -0.61 -0.03 0.00 -0.13 0.00 0.00 59.36 58.22 1i41 h GLU 130 Cb 1.28 0.23 -0.20 0.00 0.63 0.00 0.00 28.75 30.69 1i41 h GLU 130 CO 0.43 1.27 0.26 0.45 -0.73 0.00 0.00 179.01 180.69 1i41 s SER 131 N -7.21 -0.60 0.11 1.04 0.15 -0.84 -4.84 113.70 101.50 1i41 s SER 131 Ca -0.15 0.66 0.07 0.00 0.70 0.00 0.00 55.95 57.24 1i41 s SER 131 Cb 0.06 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1i41 s SER 131 CO 0.85 -0.56 -0.18 -0.89 1.20 0.00 0.00 173.24 173.67 1i41 s THR 132 N -1.17 1.54 0.11 6.45 2.01 -1.26 -1.78 115.64 121.54 1i41 s THR 132 Ca -0.09 -1.60 0.10 0.00 0.31 0.00 0.00 61.69 60.41 1i41 s THR 132 Cb -0.00 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1i41 s THR 132 CO 0.08 -0.21 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.34 1i41 s LEU 133 N -2.11 2.39 -0.17 4.42 2.96 0.13 -4.88 118.68 121.40 1i41 s LEU 133 Ca 0.07 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1i41 s LEU 133 Cb -0.08 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.33 1i41 s LEU 133 CO 0.04 0.20 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.42 1i41 s LEU 134 N -1.90 1.89 0.00 -0.68 1.43 -1.26 -1.55 118.68 116.61 1i41 s LEU 134 Ca 0.14 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1i41 s LEU 134 Cb -0.10 -1.08 0.09 0.00 0.03 0.00 0.00 46.19 45.13 1i41 s LEU 134 CO 0.06 -0.15 0.70 0.23 0.23 0.00 0.00 176.35 177.42 1i41 n MET 135 N 4.78 0.48 0.21 1.70 2.81 -0.35 -4.28 117.12 122.47 1i41 n MET 135 Ca -0.14 -2.43 0.13 0.00 -1.81 0.00 0.00 57.70 53.45 1i41 n MET 135 Cb 0.48 -0.30 0.28 0.00 -0.71 0.00 0.00 33.22 32.97 1i41 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i41 h ALA 136 N -0.05 1.00 -1.90 3.04 0.00 -1.31 -2.72 119.26 117.32 1i41 h ALA 136 Ca -0.23 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1i41 h ALA 136 Cb 1.01 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.61 1i41 h ALA 136 CO 0.31 0.00 0.55 -1.54 0.00 0.00 0.00 179.25 178.56 1i41 s SER 137 N -5.81 -0.35 0.16 0.00 1.04 -1.26 -3.42 113.70 104.07 1i41 s SER 137 Ca 0.07 0.17 -0.25 0.00 0.48 0.00 0.00 55.95 56.42 1i41 s SER 137 Cb 0.07 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.54 1i41 s SER 137 CO 0.63 -0.47 1.59 1.23 0.98 0.00 0.00 173.24 177.21 1i41 h GLY 138 N 2.24 -0.39 -0.06 7.32 0.00 -1.83 -0.78 103.07 109.56 1i41 h GLY 138 Ca -0.19 0.46 0.17 0.00 0.00 0.00 0.00 47.33 47.77 1i41 h GLY 138 CO 0.30 -0.20 0.25 -0.33 0.00 0.00 0.00 176.54 176.56 1i41 h MET 139 N -0.30 0.33 -0.10 4.80 2.86 -1.94 -0.40 114.93 120.18 1i41 h MET 139 Ca 0.15 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1i41 h MET 139 Cb 0.56 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1i41 h MET 139 CO -0.53 0.22 -0.42 0.00 1.06 0.00 0.00 176.91 177.24 1i41 h ALA 141 N -0.57 -0.63 -0.31 0.00 0.00 -0.65 0.14 119.26 117.24 1i41 h ALA 141 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1i41 h ALA 141 Cb 0.52 1.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1i41 h ALA 141 CO -0.33 -0.98 0.01 0.77 0.00 0.00 0.00 179.25 178.71 1i41 h SER 142 N -0.28 -0.10 0.00 0.00 0.02 -1.17 0.14 113.55 112.15 1i41 h SER 142 Ca 0.12 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1i41 h SER 142 Cb 0.55 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 1i41 h SER 142 CO -0.69 -0.02 -0.02 0.74 -1.14 0.00 0.00 176.83 175.70 1i41 h THR 143 N 0.10 0.00 -0.14 -2.27 2.02 0.22 0.36 112.91 113.21 1i41 h THR 143 Ca 0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.35 1i41 h THR 143 Cb 0.19 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.55 1i41 h THR 143 CO -0.24 0.00 -0.47 0.58 0.37 0.00 0.00 175.52 175.76 1i41 h VAL 144 N -0.03 0.00 -0.97 3.16 2.07 -0.69 -0.50 116.25 119.29 1i41 h VAL 144 Ca 0.00 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.77 1i41 h VAL 144 Cb 0.03 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.62 1i41 h VAL 144 CO -0.02 0.00 -0.03 -0.03 0.02 0.00 0.00 177.57 177.51 1i41 h MET 145 N -0.48 0.01 0.72 1.57 -1.53 -0.62 0.48 114.93 115.08 1i41 h MET 145 Ca 0.03 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.25 1i41 h MET 145 Cb 0.57 -0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.63 1i41 h MET 145 CO -0.39 0.01 -0.35 -0.07 0.14 0.00 0.00 176.91 176.26 1i41 h LEU 146 N 0.01 -0.82 -1.97 3.39 3.38 0.11 -0.96 115.31 118.45 1i41 h LEU 146 Ca 0.56 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.78 1i41 h LEU 146 Cb 1.09 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1i41 h LEU 146 CO -0.92 -0.47 0.63 -0.07 0.09 0.00 0.00 178.44 177.70 1i41 h LEU 147 N -1.18 0.00 0.20 1.67 3.38 0.51 -1.20 115.31 118.69 1i41 h LEU 147 Ca -0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.56 1i41 h LEU 147 Cb 0.76 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.53 1i41 h LEU 147 CO 0.16 0.00 -1.44 0.00 0.09 0.00 0.00 178.44 177.25 1i41 h ALA 148 N 1.51 -0.01 0.09 1.53 0.00 0.13 -3.41 119.26 119.10 1i41 h ALA 148 Ca 0.39 -0.95 -0.36 0.00 0.00 0.00 0.00 54.91 53.99 1i41 h ALA 148 Cb 1.65 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1i41 h ALA 148 CO -0.00 0.76 -2.03 1.28 0.00 0.00 0.00 179.25 179.26 1i41 n LEU 149 N -3.78 2.33 -4.63 0.00 4.77 -0.39 -4.86 117.00 110.45 1i41 n LEU 149 Ca -0.20 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1i41 n LEU 149 Cb 1.02 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1i41 n LEU 149 CO 0.53 0.78 0.97 -0.69 -1.33 0.00 0.00 177.39 177.65 1i41 s VAL 150 N -2.56 4.44 1.18 4.08 1.01 -0.51 -5.02 120.40 123.02 1i41 s VAL 150 Ca -0.21 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 1i41 s VAL 150 Cb 0.07 -4.46 0.28 0.00 0.00 0.00 0.00 36.38 32.27 1i41 s VAL 150 CO 0.76 -0.60 1.04 -2.84 0.00 0.00 0.00 175.10 173.45 1i41 s PRO 151 N 3.83 -1.06 0.24 2.72 0.02 -1.26 -4.82 135.00 134.67 1i41 s PRO 151 Ca 0.46 0.44 -0.30 0.00 0.02 0.00 0.00 61.00 61.62 1i41 s PRO 151 Cb -0.11 -1.57 -0.09 0.00 0.02 0.00 0.00 34.50 32.75 1i41 s PRO 151 CO 0.19 -3.72 1.20 0.00 -0.33 0.00 0.00 177.00 174.34 1i41 s ALA 152 N -2.66 3.45 0.00 -1.55 0.00 -1.26 -2.37 121.76 117.37 1i41 s ALA 152 Ca 0.68 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1i41 s ALA 152 Cb -0.19 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1i41 s ALA 152 CO 0.60 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1i41 n GLY 153 N 1.71 1.20 3.72 0.00 0.00 0.13 -4.92 105.19 107.04 1i41 n GLY 153 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1i41 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 154 N -2.00 1.62 0.05 -0.02 0.00 -1.00 -4.59 107.32 101.38 1i41 s GLY 154 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.71 1i41 s GLY 154 CO 0.00 0.42 -0.07 -1.58 0.00 0.00 0.00 173.10 171.87 1i41 s HIS 155 N -2.94 2.85 0.09 1.90 5.65 -1.26 -2.04 115.29 119.54 1i41 s HIS 155 Ca 0.63 -0.08 0.03 0.00 0.25 0.00 0.00 55.06 55.89 1i41 s HIS 155 Cb -0.18 -1.54 -0.04 0.00 -1.18 0.00 0.00 32.58 29.65 1i41 s HIS 155 CO 0.57 0.40 -0.09 -1.50 -0.65 0.00 0.00 174.74 173.47 1i41 s ILE 156 N -1.11 0.82 -0.09 0.89 2.07 -0.33 -0.05 121.20 123.40 1i41 s ILE 156 Ca 0.20 -1.61 0.02 0.00 -1.41 0.00 0.00 60.65 57.85 1i41 s ILE 156 Cb -0.11 -1.30 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1i41 s ILE 156 CO 0.11 -0.59 -0.14 -0.69 -1.91 0.00 0.00 174.94 171.71 1i41 s VAL 157 N -2.51 1.39 0.30 4.00 1.01 -0.61 -0.81 120.40 123.17 1i41 s VAL 157 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1i41 s VAL 157 Cb -0.02 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1i41 s VAL 157 CO -0.01 0.42 0.14 0.42 0.00 0.00 0.00 175.10 176.06 1i41 s THR 158 N 0.84 0.43 0.54 3.92 -4.23 -0.44 -0.10 115.64 116.60 1i41 s THR 158 Ca -0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1i41 s THR 158 Cb -0.15 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1i41 s THR 158 CO 0.01 0.00 0.77 0.42 -0.54 0.00 0.00 174.62 175.28 1i41 s THR 159 N -3.62 2.97 0.14 3.99 -4.23 -1.25 -1.39 115.64 112.26 1i41 s THR 159 Ca 0.36 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.30 1i41 s THR 159 Cb 0.06 -3.12 -0.18 0.00 1.34 0.00 0.00 72.50 70.60 1i41 s THR 159 CO 0.16 -0.09 1.33 0.71 -0.54 0.00 0.00 174.62 176.19 1i41 h THR 160 N 0.10 1.53 -0.72 3.99 1.35 -1.54 -3.34 112.91 114.28 1i41 h THR 160 Ca -0.43 -2.80 -0.45 0.00 -0.55 0.00 0.00 66.41 62.17 1i41 h THR 160 Cb 1.29 2.59 -0.13 0.00 -1.73 0.00 0.00 68.15 70.17 1i41 h THR 160 CO 0.54 0.81 0.63 0.47 -0.25 0.00 0.00 175.52 177.73 1i41 n ASP 161 N -3.59 6.47 -4.89 5.36 9.92 -1.26 -4.94 116.55 123.61 1i41 n ASP 161 Ca -0.04 -2.96 -0.29 0.00 -0.53 0.00 0.00 54.79 50.97 1i41 n ASP 161 Cb 0.86 -1.32 0.04 0.00 -0.64 0.00 0.00 41.12 40.06 1i41 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i41 s TYR 163 N -3.24 3.71 0.00 0.00 5.04 -1.26 -4.86 117.35 116.74 1i41 s TYR 163 Ca 0.57 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.91 1i41 s TYR 163 Cb -0.11 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 39.07 1i41 s TYR 163 CO 0.50 -0.06 0.07 -2.13 -1.34 0.00 0.00 175.55 172.59 1i41 n ARG 164 N 3.19 0.00 -0.10 4.97 3.00 -1.26 -1.07 116.66 125.39 1i41 n ARG 164 Ca 0.04 0.07 -0.06 0.00 -0.00 0.00 0.00 57.85 57.90 1i41 n ARG 164 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 32.46 32.81 1i41 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i41 h LYS 165 N 0.00 -0.13 -1.25 -0.14 6.56 -1.97 -0.07 116.57 119.56 1i41 h LYS 165 Ca 0.00 0.01 0.36 0.00 -1.06 0.00 0.00 60.65 59.96 1i41 h LYS 165 Cb 0.00 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 31.61 1i41 h LYS 165 CO 0.00 -0.09 0.86 1.15 -2.06 0.00 0.00 179.45 179.31 1i41 h THR 166 N -0.14 0.35 0.42 -0.16 2.02 -1.49 0.26 112.91 114.18 1i41 h THR 166 Ca 0.18 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1i41 h THR 166 Cb 0.41 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1i41 h THR 166 CO -0.44 0.02 -0.20 -0.09 0.37 0.00 0.00 175.52 175.18 1i41 h ARG 167 N 0.13 -0.55 -0.94 6.66 9.65 -0.22 -3.16 114.38 125.96 1i41 h ARG 167 Ca 0.66 0.04 0.17 0.00 -1.10 0.00 0.00 59.98 59.74 1i41 h ARG 167 Cb 2.24 0.12 -0.17 0.00 -1.39 0.00 0.00 29.97 30.78 1i41 h ARG 167 CO -0.17 -0.37 -0.30 0.82 2.80 0.00 0.00 179.97 182.76 1i41 h ILE 168 N -0.92 0.04 -0.14 1.20 2.04 -0.61 0.13 117.51 119.25 1i41 h ILE 168 Ca -0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1i41 h ILE 168 Cb 0.44 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.50 1i41 h ILE 168 CO 0.10 0.00 -0.35 0.15 0.00 0.00 0.00 178.15 178.05 1i41 h PHE 169 N -0.01 -0.98 0.00 1.37 3.57 -1.42 0.69 116.94 120.16 1i41 h PHE 169 Ca 0.40 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 1i41 h PHE 169 Cb 0.65 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1i41 h PHE 169 CO -0.78 -0.42 -0.04 0.82 -2.23 0.00 0.00 178.31 175.66 1i41 h ILE 170 N -0.42 0.87 0.00 1.41 2.04 -0.80 0.15 117.51 120.76 1i41 h ILE 170 Ca 0.09 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1i41 h ILE 170 Cb 0.57 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1i41 h ILE 170 CO -0.38 0.04 -1.44 -0.62 0.00 0.00 0.00 178.15 175.75 1i41 n GLU 171 N -4.25 0.63 -0.02 2.37 1.02 -0.02 -4.35 120.64 116.02 1i41 n GLU 171 Ca -0.03 -0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1i41 n GLU 171 Cb 0.13 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 1i41 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i41 n THR 172 N -2.51 0.23 -0.08 2.62 -2.24 0.23 -4.73 114.28 107.81 1i41 n THR 172 Ca -0.02 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1i41 n THR 172 Cb 0.57 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 1i41 n THR 172 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i41 n ILE 173 N -2.25 1.44 -0.33 2.28 2.08 0.51 -4.42 119.36 118.67 1i41 n ILE 173 Ca -0.06 0.20 0.22 0.00 0.56 0.00 0.00 62.75 63.66 1i41 n ILE 173 Cb 0.60 -2.38 0.44 0.00 -0.75 0.00 0.00 39.64 37.55 1i41 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1i41 h LEU 174 N -1.00 0.41 -2.24 1.39 3.38 -1.70 0.59 115.31 116.14 1i41 h LEU 174 Ca -0.00 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1i41 h LEU 174 Cb 0.65 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1i41 h LEU 174 CO -0.00 -0.14 0.19 1.55 0.09 0.00 0.00 178.44 180.13 1i41 h PRO 175 N 0.30 0.00 0.00 1.13 0.13 -1.76 0.39 132.00 132.19 1i41 h PRO 175 Ca 0.70 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.81 1i41 h PRO 175 Cb 1.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.70 1i41 h PRO 175 CO -0.62 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 177.93 1i41 h LYS 176 N 0.00 0.00 -0.65 0.86 1.57 -0.01 0.22 116.57 118.56 1i41 h LYS 176 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1i41 h LYS 176 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1i41 h LYS 176 CO -0.00 0.09 0.00 -1.33 -0.57 0.00 0.00 179.45 177.64 1i41 n MET 177 N -3.70 3.88 -1.24 3.15 2.81 0.13 -4.89 117.12 117.25 1i41 n MET 177 Ca -0.02 -2.81 -0.08 0.00 -1.81 0.00 0.00 57.70 52.97 1i41 n MET 177 Cb 0.20 -1.96 -0.04 0.00 -0.71 0.00 0.00 33.22 30.72 1i41 n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i41 n GLY 178 N 1.01 0.93 3.55 3.03 0.00 0.76 0.21 105.19 114.69 1i41 n GLY 178 Ca 0.25 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1i41 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 179 N -2.03 4.52 0.27 -0.61 1.01 -0.91 -3.16 121.20 120.29 1i41 s ILE 179 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 60.65 61.20 1i41 s ILE 179 Cb 0.00 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1i41 s ILE 179 CO 0.00 -0.83 0.52 0.28 0.00 0.00 0.00 174.94 174.92 1i41 s THR 180 N 3.63 5.05 0.09 2.92 -1.32 -0.86 -3.61 115.64 121.53 1i41 s THR 180 Ca 0.34 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.87 1i41 s THR 180 Cb -0.11 -3.72 -0.04 0.00 -1.51 0.00 0.00 72.50 67.12 1i41 s THR 180 CO 0.25 -0.27 -0.07 0.00 -2.21 0.00 0.00 174.62 172.32 1i41 s ALA 181 N -2.02 0.90 -0.15 11.08 0.00 -1.26 -1.19 121.76 129.13 1i41 s ALA 181 Ca 0.43 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1i41 s ALA 181 Cb -0.11 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1i41 s ALA 181 CO 0.29 -0.21 -0.21 0.99 0.00 0.00 0.00 175.76 176.61 1i41 s THR 182 N -3.35 2.05 -0.42 0.00 2.01 0.01 -4.94 115.64 111.01 1i41 s THR 182 Ca 0.09 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 1i41 s THR 182 Cb 0.03 -1.82 0.05 0.00 0.01 0.00 0.00 72.50 70.77 1i41 s THR 182 CO -0.04 0.55 0.28 -0.69 -0.69 0.00 0.00 174.62 174.02 1i41 s VAL 183 N 0.92 4.72 0.31 3.82 1.01 -1.26 -1.33 120.40 128.60 1i41 s VAL 183 Ca -0.04 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.97 1i41 s VAL 183 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1i41 s VAL 183 CO -0.04 -0.41 0.15 0.27 0.00 0.00 0.00 175.10 175.07 1i41 s ILE 184 N 1.55 3.40 0.29 2.22 -4.36 -0.48 -4.82 121.20 119.00 1i41 s ILE 184 Ca 0.03 -1.64 -0.28 0.00 -0.26 0.00 0.00 60.65 58.50 1i41 s ILE 184 Cb -0.22 -3.05 -0.09 0.00 1.25 0.00 0.00 42.46 40.35 1i41 s ILE 184 CO 0.06 -0.24 1.00 -0.62 0.24 0.00 0.00 174.94 175.37 1i41 s ASP 185 N -3.84 7.35 0.30 4.36 2.15 -1.26 -1.36 116.67 124.36 1i41 s ASP 185 Ca 0.36 2.02 0.04 0.00 0.43 0.00 0.00 52.55 55.41 1i41 s ASP 185 Cb -0.05 -2.60 0.77 0.00 -0.30 0.00 0.00 42.92 40.74 1i41 s ASP 185 CO 0.23 -0.07 1.67 -0.65 -0.17 0.00 0.00 175.17 176.18 1i41 h PRO 186 N 3.59 0.30 0.01 4.34 0.11 -1.94 -2.21 132.00 136.19 1i41 h PRO 186 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1i41 h PRO 186 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1i41 h PRO 186 CO 0.66 0.20 -0.19 0.00 -0.21 0.00 0.00 178.00 178.45 1i41 h ALA 187 N 1.76 0.02 -0.04 -0.75 0.00 -1.92 -3.43 119.26 114.89 1i41 h ALA 187 Ca 0.58 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1i41 h ALA 187 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1i41 h ALA 187 CO -0.59 0.05 0.78 -3.47 0.00 0.00 0.00 179.25 176.01 1i41 n ASP 188 N -4.55 -0.79 0.21 0.00 -0.08 -0.83 -4.67 116.55 105.83 1i41 n ASP 188 Ca -0.10 -1.62 0.09 0.00 -1.51 0.00 0.00 54.79 51.65 1i41 n ASP 188 Cb 0.49 -0.97 0.35 0.00 2.34 0.00 0.00 41.12 43.32 1i41 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i41 h VAL 189 N 6.96 0.52 0.00 5.18 2.07 -1.83 -3.14 116.25 126.00 1i41 h VAL 189 Ca 0.00 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1i41 h VAL 189 Cb 1.01 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1i41 h VAL 189 CO 1.07 0.24 -0.00 1.23 0.02 0.00 0.00 177.57 180.13 1i41 h GLY 190 N 2.60 -0.00 0.07 2.17 0.00 -1.97 -0.99 103.07 104.96 1i41 h GLY 190 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1i41 h GLY 190 CO 0.03 -0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.37 1i41 h ALA 191 N 0.86 0.06 0.20 3.60 0.00 -1.94 0.43 119.26 122.46 1i41 h ALA 191 Ca -0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1i41 h ALA 191 Cb 0.14 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1i41 h ALA 191 CO 0.00 -0.58 -0.40 1.25 0.00 0.00 0.00 179.25 179.52 1i41 h LEU 192 N -0.14 -1.15 -1.32 0.00 5.85 -1.52 0.21 115.31 117.23 1i41 h LEU 192 Ca 0.18 0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.18 1i41 h LEU 192 Cb 0.42 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 1i41 h LEU 192 CO -0.45 -0.50 0.58 -0.08 -0.34 0.00 0.00 178.44 177.65 1i41 h GLU 193 N -0.69 0.62 0.53 1.25 4.81 -0.21 0.21 114.58 121.11 1i41 h GLU 193 Ca 0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1i41 h GLU 193 Cb 0.68 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1i41 h GLU 193 CO -0.18 0.41 -0.26 1.25 -0.73 0.00 0.00 179.01 179.50 1i41 h LEU 194 N 0.63 -0.61 -1.01 1.64 5.85 0.80 -3.07 115.31 119.56 1i41 h LEU 194 Ca 0.45 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.43 1i41 h LEU 194 Cb 0.81 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 1i41 h LEU 194 CO -0.21 -0.28 0.60 0.00 -0.34 0.00 0.00 178.44 178.21 1i41 h ALA 195 N -1.36 1.77 -0.79 1.25 0.00 -0.18 0.63 119.26 120.58 1i41 h ALA 195 Ca -0.07 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 195 Cb 0.55 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1i41 h ALA 195 CO 0.12 -0.23 0.53 -0.07 0.00 0.00 0.00 179.25 179.60 1i41 h LEU 196 N 0.62 0.35 0.09 0.00 -0.00 -0.57 -2.43 115.31 113.36 1i41 h LEU 196 Ca 0.63 0.03 -0.36 0.00 -0.00 0.00 0.00 57.88 58.18 1i41 h LEU 196 Cb 1.17 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 1i41 h LEU 196 CO -0.46 0.17 -2.06 0.59 -0.00 0.00 0.00 178.44 176.68 1i41 n ASN 197 N -4.47 1.89 0.00 -0.43 3.02 0.20 -4.62 115.26 110.85 1i41 n ASN 197 Ca 0.16 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1i41 n ASN 197 Cb 0.61 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1i41 n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 n GLN 198 N -3.37 0.00 -2.05 3.52 6.02 0.18 -4.85 117.38 116.83 1i41 n GLN 198 Ca -0.33 0.33 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1i41 n GLN 198 Cb 1.04 -1.30 0.08 0.00 1.02 0.00 0.00 30.24 31.08 1i41 n GLN 198 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i41 n LYS 199 N -1.45 0.16 -3.51 -1.09 4.01 -0.95 -5.04 118.16 110.28 1i41 n LYS 199 Ca 0.00 -1.98 -0.42 0.00 -0.51 0.00 0.00 58.31 55.41 1i41 n LYS 199 Cb 0.00 -0.44 -0.05 0.00 -0.51 0.00 0.00 35.03 34.02 1i41 n LYS 199 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i41 s LYS 200 N -4.29 3.17 0.12 1.97 2.36 -1.26 -4.68 119.74 117.14 1i41 s LYS 200 Ca 0.47 -2.57 -0.31 0.00 -2.55 0.00 0.00 55.97 51.01 1i41 s LYS 200 Cb -0.03 -4.11 -0.09 0.00 -1.05 0.00 0.00 37.83 32.56 1i41 s LYS 200 CO 0.31 -1.24 1.46 0.08 1.55 0.00 0.00 175.35 177.51 1i41 s VAL 201 N -0.07 3.09 -0.06 4.02 1.01 -1.26 -4.12 120.40 123.01 1i41 s VAL 201 Ca 0.18 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.97 1i41 s VAL 201 Cb -0.14 -3.49 -0.25 0.00 0.00 0.00 0.00 36.38 32.50 1i41 s VAL 201 CO -0.07 0.06 0.60 0.78 0.00 0.00 0.00 175.10 176.47 1i41 h ASN 202 N 6.90 0.20 -3.49 3.32 4.21 -0.82 -3.37 115.58 122.52 1i41 h ASN 202 Ca -0.42 -0.40 0.02 0.00 1.21 0.00 0.00 56.30 56.71 1i41 h ASN 202 Cb 1.21 -0.06 -0.24 0.00 -1.12 0.00 0.00 38.32 38.10 1i41 h ASN 202 CO 0.88 1.36 0.32 -0.22 -1.29 0.00 0.00 177.43 178.49 1i41 s LEU 203 N -6.55 -0.57 -0.20 1.61 0.20 -1.24 -2.30 118.68 109.63 1i41 s LEU 203 Ca -0.11 1.10 -0.08 0.00 0.69 0.00 0.00 54.13 55.72 1i41 s LEU 203 Cb 0.07 2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 47.90 1i41 s LEU 203 CO 0.81 -0.19 0.08 0.12 -0.29 0.00 0.00 176.35 176.89 1i41 s PHE 204 N 0.32 3.24 -0.03 5.38 5.36 0.70 -1.57 117.98 131.38 1i41 s PHE 204 Ca 0.02 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.04 1i41 s PHE 204 Cb -0.05 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1i41 s PHE 204 CO -0.04 0.06 -0.07 0.12 -1.46 0.00 0.00 175.22 173.83 1i41 s PHE 205 N 0.70 0.85 0.07 10.12 5.36 0.85 -0.72 117.98 135.21 1i41 s PHE 205 Ca 0.04 -0.21 -0.27 0.00 -0.96 0.00 0.00 56.93 55.53 1i41 s PHE 205 Cb -0.13 -0.63 0.08 0.00 -0.34 0.00 0.00 43.02 42.00 1i41 s PHE 205 CO 0.02 -0.11 0.96 -0.08 -1.46 0.00 0.00 175.22 174.54 1i41 s THR 206 N 0.33 0.00 -0.04 0.12 -1.32 -0.42 -3.85 115.64 110.46 1i41 s THR 206 Ca -0.05 -0.36 0.01 0.00 -1.21 0.00 0.00 61.69 60.09 1i41 s THR 206 Cb -0.09 -1.58 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 1i41 s THR 206 CO 0.00 0.00 -0.05 -1.83 -2.21 0.00 0.00 174.62 170.54 1i41 s GLU 207 N -3.15 2.73 -0.19 7.08 -1.05 -1.26 -0.02 118.70 122.85 1i41 s GLU 207 Ca 0.09 -0.59 -0.04 0.00 -0.15 0.00 0.00 54.97 54.28 1i41 s GLU 207 Cb -0.01 -2.60 0.09 0.00 -0.44 0.00 0.00 34.13 31.17 1i41 s GLU 207 CO -0.03 0.65 0.31 0.45 0.95 0.00 0.00 175.26 177.59 1i41 s SER 208 N -1.10 0.41 1.06 0.83 0.15 -1.21 -3.68 113.70 110.17 1i41 s SER 208 Ca 0.15 0.42 -0.12 0.00 0.70 0.00 0.00 55.95 57.10 1i41 s SER 208 Cb -0.11 0.86 0.23 0.00 -1.71 0.00 0.00 66.02 65.29 1i41 s SER 208 CO 0.05 -0.27 1.07 -2.84 1.20 0.00 0.00 173.24 172.45 1i41 s PRO 209 N 2.47 -0.15 0.59 5.44 0.02 -1.26 -4.49 135.00 137.63 1i41 s PRO 209 Ca 0.05 1.09 0.04 0.00 0.02 0.00 0.00 61.00 62.19 1i41 s PRO 209 Cb -0.14 -1.63 0.07 0.00 0.02 0.00 0.00 34.50 32.83 1i41 s PRO 209 CO -0.12 -3.28 0.82 -0.08 -0.33 0.00 0.00 177.00 174.02 1i41 s THR 210 N -2.55 2.41 -0.06 0.99 -1.32 0.26 -4.70 115.64 110.66 1i41 s THR 210 Ca 0.68 -0.77 0.04 0.00 -1.21 0.00 0.00 61.69 60.42 1i41 s THR 210 Cb -0.24 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1i41 s THR 210 CO 0.62 0.00 -0.18 0.21 -2.21 0.00 0.00 174.62 173.06 1i41 s ASN 211 N -4.58 2.35 0.00 8.08 3.04 -1.24 -0.75 114.94 121.85 1i41 s ASN 211 Ca 0.61 -0.40 0.23 0.00 0.04 0.00 0.00 52.86 53.34 1i41 s ASN 211 Cb -0.07 -0.88 0.18 0.00 -1.54 0.00 0.00 41.25 38.93 1i41 s ASN 211 CO 0.40 0.13 1.23 -0.81 -3.04 0.00 0.00 177.10 175.01 1i41 n PRO 212 N 3.41 2.20 -0.01 0.43 -0.04 -1.26 -4.52 135.00 135.21 1i41 n PRO 212 Ca -0.20 -1.87 0.08 0.00 -0.04 0.00 0.00 63.50 61.47 1i41 n PRO 212 Cb 0.52 -1.44 0.45 0.00 -0.04 0.00 0.00 33.50 33.00 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 1.29 0.02 -4.23 0.54 3.72 -1.26 -4.63 117.46 112.92 1i41 n PHE 213 Ca 0.13 -0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 1i41 n PHE 213 Cb 0.58 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 1i41 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i41 n LEU 214 N -0.66 -1.70 -4.77 4.37 4.77 0.07 -4.68 117.00 114.40 1i41 n LEU 214 Ca 0.12 -1.02 -0.33 0.00 -0.03 0.00 0.00 56.01 54.75 1i41 n LEU 214 Cb 0.07 -2.08 0.05 0.00 -2.33 0.00 0.00 43.42 39.14 1i41 n LEU 214 CO 0.09 0.29 0.74 -0.13 -1.33 0.00 0.00 177.39 177.05 1i41 s ARG 215 N -6.93 2.77 0.12 3.23 1.81 -1.26 -4.10 118.95 114.59 1i41 s ARG 215 Ca 0.72 1.36 0.09 0.00 -1.72 0.00 0.00 55.73 56.18 1i41 s ARG 215 Cb -0.39 -1.95 -0.04 0.00 -0.45 0.00 0.00 34.95 32.12 1i41 s ARG 215 CO 0.93 -1.27 -0.22 0.00 -0.68 0.00 0.00 175.30 174.06 1i41 s VAL 217 N -1.33 3.39 -1.10 0.00 1.01 -1.26 -4.69 120.40 116.41 1i41 s VAL 217 Ca 0.10 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1i41 s VAL 217 Cb -0.09 -2.47 -0.19 0.00 0.00 0.00 0.00 36.38 33.63 1i41 s VAL 217 CO 0.05 0.49 2.04 -0.67 0.00 0.00 0.00 175.10 177.01 1i41 n ASP 218 N 3.82 1.96 -0.27 3.32 -0.08 -1.26 -4.74 116.55 119.30 1i41 n ASP 218 Ca -0.18 -2.57 -0.11 0.00 -1.51 0.00 0.00 54.79 50.42 1i41 n ASP 218 Cb 0.52 -1.71 -0.09 0.00 2.34 0.00 0.00 41.12 42.19 1i41 n ASP 218 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1i41 h ILE 219 N 6.45 0.01 -0.76 5.18 2.04 -1.95 0.41 117.51 128.89 1i41 h ILE 219 Ca 0.09 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.11 1i41 h ILE 219 Cb 0.97 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.95 1i41 h ILE 219 CO 1.11 0.00 0.24 -0.08 0.00 0.00 0.00 178.15 179.42 1i41 h GLU 220 N -0.20 0.33 0.44 2.37 4.81 -1.84 0.38 114.58 120.86 1i41 h GLU 220 Ca 0.13 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1i41 h GLU 220 Cb 0.52 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1i41 h GLU 220 CO -0.76 0.22 -0.21 1.25 -0.73 0.00 0.00 179.01 178.78 1i41 h LEU 221 N 0.34 -0.50 -0.58 1.64 5.85 -1.45 -2.42 115.31 118.19 1i41 h LEU 221 Ca 0.43 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.24 1i41 h LEU 221 Cb 0.71 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1i41 h LEU 221 CO -0.47 -0.31 -0.50 0.58 -0.34 0.00 0.00 178.44 177.40 1i41 h VAL 222 N -0.70 0.04 -0.87 1.05 2.07 -0.64 0.52 116.25 117.71 1i41 h VAL 222 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.64 1i41 h VAL 222 Cb 0.46 0.04 -0.17 0.00 -1.52 0.00 0.00 31.29 30.10 1i41 h VAL 222 CO 0.10 0.00 -0.21 0.28 0.02 0.00 0.00 177.57 177.76 1i41 h SER 223 N -0.25 -0.80 0.22 0.57 0.02 -0.30 0.10 113.55 113.10 1i41 h SER 223 Ca 0.14 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1i41 h SER 223 Cb 0.56 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1i41 h SER 223 CO -0.69 -0.29 -0.22 0.50 -1.14 0.00 0.00 176.83 174.98 1i41 h LYS 224 N 0.00 -0.46 0.12 3.45 3.64 -0.41 -0.47 116.57 122.45 1i41 h LYS 224 Ca 0.42 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.85 1i41 h LYS 224 Cb 0.65 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1i41 h LYS 224 CO -0.90 -0.31 -0.31 -0.07 -2.27 0.00 0.00 179.45 175.60 1i41 h LEU 225 N -0.48 -0.90 0.29 5.20 3.38 0.03 -2.56 115.31 120.27 1i41 h LEU 225 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1i41 h LEU 225 Cb 0.45 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1i41 h LEU 225 CO -0.05 -0.40 -0.32 0.00 0.09 0.00 0.00 178.44 177.76 1i41 h HIS 227 N -0.65 0.00 0.00 0.00 3.86 -0.97 0.28 115.15 117.67 1i41 h HIS 227 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1i41 h HIS 227 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1i41 h HIS 227 CO -0.20 0.00 -0.31 1.49 0.86 0.00 0.00 177.93 179.77 1i41 h GLU 228 N 0.00 0.00 -0.32 2.45 4.81 -0.88 -3.18 114.58 117.46 1i41 h GLU 228 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1i41 h GLU 228 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1i41 h GLU 228 CO 0.00 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.22 1i41 n LYS 229 N -3.27 2.48 -0.85 1.92 4.76 0.93 -4.98 118.16 119.16 1i41 n LYS 229 Ca 0.02 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.50 1i41 n LYS 229 Cb 0.58 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N 0.64 0.79 3.81 0.72 0.00 -0.97 -4.89 105.19 105.29 1i41 n GLY 230 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1i41 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 231 N -3.02 2.84 0.01 4.61 0.00 -1.04 -4.93 121.76 120.21 1i41 s ALA 231 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1i41 s ALA 231 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1i41 s ALA 231 CO 0.00 -0.63 0.16 -0.51 0.00 0.00 0.00 175.76 174.78 1i41 s LEU 232 N -4.34 4.26 -0.16 0.00 1.43 -0.97 -3.98 118.68 114.92 1i41 s LEU 232 Ca 0.62 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1i41 s LEU 232 Cb -0.14 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1i41 s LEU 232 CO 0.35 0.25 -0.16 -0.69 0.23 0.00 0.00 176.35 176.32 1i41 s VAL 233 N -1.33 2.57 -0.13 -1.59 1.01 -1.26 0.25 120.40 119.92 1i41 s VAL 233 Ca 0.28 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1i41 s VAL 233 Cb -0.13 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1i41 s VAL 233 CO 0.19 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.68 1i41 s ILE 235 N 1.31 3.42 -1.13 0.00 -1.09 0.67 -1.31 121.20 123.07 1i41 s ILE 235 Ca 0.00 -0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 57.76 1i41 s ILE 235 Cb -0.14 -2.45 0.22 0.00 -1.58 0.00 0.00 42.46 38.51 1i41 s ILE 235 CO -0.06 0.53 1.24 -0.62 -1.23 0.00 0.00 174.94 174.80 1i41 s ASP 236 N 0.14 7.13 0.00 3.58 -1.08 0.97 -1.88 116.67 125.54 1i41 s ASP 236 Ca -0.04 -3.17 0.00 0.00 -0.52 0.00 0.00 52.55 48.82 1i41 s ASP 236 Cb -0.14 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1i41 s ASP 236 CO 0.04 -0.57 1.12 0.61 0.52 0.00 0.00 175.17 176.89 1i41 n GLY 237 N 3.61 1.92 0.33 2.66 0.00 -1.09 -3.28 105.19 109.32 1i41 n GLY 237 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 1i41 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i41 h THR 238 N 0.35 0.00 -0.67 2.61 2.02 -1.87 0.19 112.91 115.54 1i41 h THR 238 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1i41 h THR 238 Cb 0.90 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1i41 h THR 238 CO 0.00 0.00 0.44 -0.26 0.37 0.00 0.00 175.52 176.07 1i41 h PHE 239 N -0.42 0.61 0.54 3.16 0.04 -1.84 -3.06 116.94 115.97 1i41 h PHE 239 Ca 0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1i41 h PHE 239 Cb 0.48 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.43 1i41 h PHE 239 CO -0.53 0.31 -0.26 0.00 -0.60 0.00 0.00 178.31 177.23 1i41 h ALA 240 N 1.65 -0.72 0.00 2.45 0.00 -1.54 -3.41 119.26 117.70 1i41 h ALA 240 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i41 h ALA 240 Cb 0.40 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i41 h ALA 240 CO -0.10 -0.73 0.00 2.41 0.00 0.00 0.00 179.25 180.83 1i41 n THR 241 N -5.28 -0.53 0.21 0.00 -1.04 -0.03 -3.75 114.28 103.85 1i41 n THR 241 Ca -0.10 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.97 1i41 n THR 241 Cb 0.32 -0.22 0.37 0.00 -1.82 0.00 0.00 70.33 68.98 1i41 n THR 241 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1i41 h PRO 242 N 0.00 0.00 0.21 -2.82 0.13 -1.83 -1.02 132.00 126.67 1i41 h PRO 242 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1i41 h PRO 242 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1i41 h PRO 242 CO 0.00 0.00 -1.43 -0.07 -0.23 0.00 0.00 178.00 176.27 1i41 h LEU 243 N 0.00 0.69 -0.17 1.56 3.38 -1.94 -3.34 115.31 115.49 1i41 h LEU 243 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1i41 h LEU 243 Cb 0.83 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 243 CO 0.00 1.67 -0.04 0.59 0.09 0.00 0.00 178.44 180.75 1i41 n ASN 244 N -3.78 0.31 -3.63 -0.43 3.02 -0.39 -4.82 115.26 105.53 1i41 n ASN 244 Ca -0.19 -0.69 -0.03 0.00 -0.03 0.00 0.00 54.58 53.64 1i41 n ASN 244 Cb 1.03 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 40.08 1i41 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 s GLN 245 N -2.31 0.13 -0.62 3.52 -2.07 -1.18 -1.52 119.66 115.62 1i41 s GLN 245 Ca 0.36 -0.01 0.05 0.00 -1.82 0.00 0.00 55.36 53.93 1i41 s GLN 245 Cb 0.21 0.06 0.17 0.00 -1.09 0.00 0.00 33.01 32.36 1i41 s GLN 245 CO 0.43 -0.05 0.44 0.15 -1.32 0.00 0.00 175.29 174.94 1i41 s LYS 246 N -1.60 2.01 0.26 9.60 -0.14 -1.26 -4.39 119.74 124.21 1i41 s LYS 246 Ca 0.09 -2.97 -0.02 0.00 -1.36 0.00 0.00 55.97 51.71 1i41 s LYS 246 Cb -0.01 -2.85 0.54 0.00 -1.68 0.00 0.00 37.83 33.83 1i41 s LYS 246 CO -0.05 -1.31 1.70 0.00 -0.76 0.00 0.00 175.35 174.93 1i41 h ALA 247 N 5.52 1.12 -0.74 5.17 0.00 -1.95 0.17 119.26 128.54 1i41 h ALA 247 Ca 0.17 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1i41 h ALA 247 Cb 0.80 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1i41 h ALA 247 CO 0.62 -0.31 0.41 -0.07 0.00 0.00 0.00 179.25 179.90 1i41 h LEU 248 N 0.34 0.60 -0.83 0.00 3.38 -1.86 -1.39 115.31 115.56 1i41 h LEU 248 Ca 0.46 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 1i41 h LEU 248 Cb 0.80 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1i41 h LEU 248 CO -0.50 0.37 0.24 0.00 0.09 0.00 0.00 178.44 178.64 1i41 h ALA 249 N 1.39 1.05 0.00 1.53 0.00 -1.00 -2.23 119.26 120.01 1i41 h ALA 249 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1i41 h ALA 249 Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i41 h ALA 249 CO -0.21 0.65 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1i41 n LEU 250 N -4.26 0.00 0.00 0.00 4.77 -0.53 -4.82 117.00 112.15 1i41 n LEU 250 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1i41 n LEU 250 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1i41 n LEU 250 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1i41 n GLY 251 N 0.12 1.51 3.73 -0.72 0.00 -0.84 -3.32 105.19 105.66 1i41 n GLY 251 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1i41 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 252 N -1.02 1.37 0.13 4.61 0.00 -0.78 -4.92 120.51 119.90 1i41 n ALA 252 Ca 0.00 0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1i41 n ALA 252 Cb 0.00 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 16.97 1i41 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i41 h ASP 253 N 1.26 0.73 -3.76 0.00 3.32 -1.51 -3.40 116.42 113.05 1i41 h ASP 253 Ca -0.50 -0.82 -0.20 0.00 0.02 0.00 0.00 57.03 55.52 1i41 h ASP 253 Cb 1.31 -0.24 -0.27 0.00 0.22 0.00 0.00 39.33 40.36 1i41 h ASP 253 CO 0.56 1.65 -0.59 -0.76 -1.72 0.00 0.00 179.24 178.39 1i41 s LEU 254 N -7.45 1.54 -0.09 1.55 1.43 -0.28 -4.18 118.68 111.21 1i41 s LEU 254 Ca -0.09 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1i41 s LEU 254 Cb 0.05 0.39 0.01 0.00 0.03 0.00 0.00 46.19 46.67 1i41 s LEU 254 CO 0.92 -0.04 -0.13 0.54 0.23 0.00 0.00 176.35 177.87 1i41 s VAL 255 N 0.09 1.26 0.11 -1.59 0.11 -0.85 -0.24 120.40 119.29 1i41 s VAL 255 Ca -0.00 -0.52 0.09 0.00 -2.93 0.00 0.00 61.98 58.61 1i41 s VAL 255 Cb -0.01 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1i41 s VAL 255 CO 0.00 0.39 -0.22 -1.48 -3.33 0.00 0.00 175.10 170.47 1i41 s LEU 256 N 0.87 2.31 0.18 2.54 0.05 -0.79 -0.85 118.68 123.00 1i41 s LEU 256 Ca -0.10 -0.71 0.04 0.00 0.05 0.00 0.00 54.13 53.41 1i41 s LEU 256 Cb -0.15 -0.93 -0.05 0.00 -2.05 0.00 0.00 46.19 43.01 1i41 s LEU 256 CO 0.01 0.07 -0.04 -1.00 -0.55 0.00 0.00 176.35 174.83 1i41 s HIS 257 N -1.21 1.37 -0.86 3.48 3.76 0.32 -2.69 115.29 119.47 1i41 s HIS 257 Ca 0.08 -0.87 -0.04 0.00 -0.15 0.00 0.00 55.06 54.08 1i41 s HIS 257 Cb -0.10 -0.75 0.21 0.00 1.11 0.00 0.00 32.58 33.05 1i41 s HIS 257 CO 0.05 -0.02 0.75 0.45 -0.85 0.00 0.00 174.74 175.12 1i41 s SER 258 N -3.22 6.06 0.25 1.40 0.15 -1.26 -1.54 113.70 115.53 1i41 s SER 258 Ca 0.22 -3.46 0.06 0.00 0.70 0.00 0.00 55.95 53.48 1i41 s SER 258 Cb 0.04 -1.96 0.32 0.00 -1.71 0.00 0.00 66.02 62.72 1i41 s SER 258 CO 0.04 -0.26 0.98 0.00 1.20 0.00 0.00 173.24 175.20 1i41 n ALA 259 N 2.73 0.35 0.21 5.45 0.00 0.08 -0.44 120.51 128.90 1i41 n ALA 259 Ca 0.18 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.83 1i41 n ALA 259 Cb 0.38 -0.43 0.78 0.00 0.00 0.00 0.00 19.45 20.19 1i41 n ALA 259 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i41 h THR 260 N 0.00 0.66 0.00 0.00 2.02 -1.74 -2.04 112.91 111.81 1i41 h THR 260 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i41 h THR 260 Cb 0.91 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1i41 h THR 260 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1i41 n LYS 261 N -4.09 0.00 0.06 6.66 4.76 0.42 -4.60 118.16 121.36 1i41 n LYS 261 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1i41 n LYS 261 Cb 0.24 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.35 1i41 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i41 h PHE 262 N 0.00 -0.18 -0.73 2.13 0.04 -1.73 0.11 116.94 116.58 1i41 h PHE 262 Ca 0.00 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 1i41 h PHE 262 Cb 0.00 0.06 -0.14 0.00 2.20 0.00 0.00 35.95 38.07 1i41 h PHE 262 CO 0.00 0.26 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.69 1i41 h LEU 263 N -0.71 -0.76 0.07 1.54 3.38 -1.86 0.20 115.31 117.17 1i41 h LEU 263 Ca -0.02 0.22 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 1i41 h LEU 263 Cb 0.51 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1i41 h LEU 263 CO 0.03 -0.25 -1.32 1.23 0.09 0.00 0.00 178.44 178.22 1i41 h GLY 264 N -0.02 0.17 -2.04 0.83 0.00 -1.49 -3.24 103.07 97.28 1i41 h GLY 264 Ca 0.34 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1i41 h GLY 264 CO -0.76 0.37 -0.03 0.61 0.00 0.00 0.00 176.54 176.73 1i41 n GLY 265 N 1.52 0.15 0.00 4.60 0.00 0.69 -4.64 105.19 107.51 1i41 n GLY 265 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1i41 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i41 n HIS 266 N -1.19 0.00 -3.79 1.61 8.25 -1.26 -1.73 115.22 117.10 1i41 n HIS 266 Ca -0.02 -0.33 -0.23 0.00 -0.26 0.00 0.00 57.72 56.88 1i41 n HIS 266 Cb 0.08 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.17 1i41 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i41 n ASN 267 N -0.33 -1.17 -1.13 0.41 3.02 -1.26 -4.85 115.26 109.95 1i41 n ASN 267 Ca 0.00 -0.87 -0.01 0.00 -0.03 0.00 0.00 54.58 53.66 1i41 n ASN 267 Cb 0.26 -3.74 -0.02 0.00 -0.61 0.00 0.00 39.78 35.67 1i41 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i41 n ASP 268 N -3.02 -0.03 -3.64 6.41 5.75 -1.26 -5.11 116.55 115.64 1i41 n ASP 268 Ca -0.28 -1.92 -0.04 0.00 -0.01 0.00 0.00 54.79 52.54 1i41 n ASP 268 Cb 0.67 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.69 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i41 s VAL 269 N 0.00 0.00 0.14 2.12 0.11 -1.26 -5.10 120.40 116.40 1i41 s VAL 269 Ca 0.14 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1i41 s VAL 269 Cb 0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1i41 s VAL 269 CO -0.07 0.00 0.12 -0.76 -3.33 0.00 0.00 175.10 171.06 1i41 s LEU 270 N -0.05 3.80 -0.30 2.54 1.43 -1.26 -4.37 118.68 120.47 1i41 s LEU 270 Ca 0.07 -0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1i41 s LEU 270 Cb -0.05 -2.44 0.19 0.00 0.03 0.00 0.00 46.19 43.92 1i41 s LEU 270 CO -0.13 0.10 1.33 0.00 0.23 0.00 0.00 176.35 177.88 1i41 s ALA 271 N -1.63 -2.32 0.21 4.21 0.00 -1.22 -4.69 121.76 116.31 1i41 s ALA 271 Ca 0.30 1.80 0.05 0.00 0.00 0.00 0.00 51.96 54.12 1i41 s ALA 271 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1i41 s ALA 271 CO 0.23 -0.18 0.24 0.20 0.00 0.00 0.00 175.76 176.25 1i41 s GLY 272 N 0.38 1.50 -0.21 0.00 0.00 -1.03 -0.74 107.32 107.21 1i41 s GLY 272 Ca 0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.31 1i41 s GLY 272 CO -0.13 -1.26 0.56 0.00 0.00 0.00 0.00 173.10 172.27 1i41 s ILE 274 N 0.45 -0.07 0.11 0.00 1.01 -0.59 -0.52 121.20 121.58 1i41 s ILE 274 Ca -0.01 0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.98 1i41 s ILE 274 Cb -0.04 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 1i41 s ILE 274 CO -0.01 0.11 -0.22 -0.44 0.00 0.00 0.00 174.94 174.37 1i41 s SER 275 N 1.32 2.67 0.00 3.58 0.01 -0.03 0.19 113.70 121.44 1i41 s SER 275 Ca -0.06 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1i41 s SER 275 Cb -0.13 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1i41 s SER 275 CO -0.03 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1i41 n GLY 276 N 1.04 -0.64 3.77 3.44 0.00 -0.73 -2.00 105.19 110.05 1i41 n GLY 276 Ca -0.19 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1i41 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i41 s PRO 277 N -1.03 4.35 0.07 1.61 0.04 -1.26 -1.99 135.00 136.79 1i41 s PRO 277 Ca 0.00 1.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 1i41 s PRO 277 Cb 0.00 -2.89 -0.08 0.00 0.04 0.00 0.00 34.50 31.57 1i41 s PRO 277 CO 0.00 -0.04 1.33 1.25 0.04 0.00 0.00 177.00 179.58 1i41 h LEU 278 N 3.15 -1.01 -1.37 -3.56 6.46 -1.88 0.33 115.31 117.43 1i41 h LEU 278 Ca -0.48 0.12 0.39 0.00 -0.12 0.00 0.00 57.88 57.79 1i41 h LEU 278 Cb 1.22 0.39 -0.05 0.00 -0.73 0.00 0.00 40.66 41.48 1i41 h LEU 278 CO 0.64 -0.31 1.29 0.50 -0.62 0.00 0.00 178.44 179.95 1i41 h LYS 279 N -0.38 0.00 0.00 1.25 3.64 -2.00 0.06 116.57 119.14 1i41 h LYS 279 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1i41 h LYS 279 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1i41 h LYS 279 CO -0.23 0.00 -0.59 1.28 -2.27 0.00 0.00 179.45 177.64 1i41 n LEU 280 N -3.48 1.43 -0.28 5.20 4.77 -0.40 -4.15 117.00 120.09 1i41 n LEU 280 Ca 0.30 0.39 0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1i41 n LEU 280 Cb 1.69 -0.73 0.22 0.00 -2.33 0.00 0.00 43.42 42.28 1i41 n LEU 280 CO 0.31 -0.40 1.04 1.62 -1.33 0.00 0.00 177.39 178.63 1i41 h VAL 281 N -0.76 0.62 -0.65 4.08 3.04 -0.50 0.06 116.25 122.13 1i41 h VAL 281 Ca 0.00 -0.16 0.12 0.00 -1.01 0.00 0.00 66.70 65.65 1i41 h VAL 281 Cb 0.59 0.11 -0.09 0.00 -2.01 0.00 0.00 31.29 29.89 1i41 h VAL 281 CO 0.00 0.09 0.20 0.77 -1.01 0.00 0.00 177.57 177.62 1i41 h SER 282 N 0.47 0.13 -0.31 3.17 4.64 -1.21 0.35 113.55 120.78 1i41 h SER 282 Ca 0.46 0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.98 1i41 h SER 282 Cb 0.74 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1i41 h SER 282 CO -0.43 0.06 0.28 -0.33 -0.87 0.00 0.00 176.83 175.55 1i41 h GLU 283 N 0.35 0.00 0.12 4.77 4.39 -1.14 -1.20 114.58 121.87 1i41 h GLU 283 Ca 0.34 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.83 1i41 h GLU 283 Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1i41 h GLU 283 CO -0.38 0.00 -1.06 0.82 -1.16 0.00 0.00 179.01 177.23 1i41 h ILE 284 N 0.00 1.29 -0.89 3.13 2.04 -0.30 -3.31 117.51 119.48 1i41 h ILE 284 Ca 0.15 -2.46 0.20 0.00 1.00 0.00 0.00 64.86 63.75 1i41 h ILE 284 Cb 0.71 2.96 -0.07 0.00 -0.74 0.00 0.00 36.82 39.69 1i41 h ILE 284 CO -0.00 0.69 0.59 -0.09 0.00 0.00 0.00 178.15 179.34 1i41 h ARG 285 N -0.39 0.41 0.37 2.37 2.43 0.05 0.16 114.38 119.77 1i41 h ARG 285 Ca -0.21 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1i41 h ARG 285 Cb 1.66 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1i41 h ARG 285 CO 0.09 0.27 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.73 1i41 h ASN 286 N 0.42 -0.42 0.02 -3.80 2.35 -1.41 -0.24 115.58 112.51 1i41 h ASN 286 Ca 0.46 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 56.10 1i41 h ASN 286 Cb 1.12 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1i41 h ASN 286 CO -0.17 -0.19 -0.10 0.25 -1.65 0.00 0.00 177.43 175.57 1i41 h LEU 287 N -0.64 0.19 -1.41 1.61 5.85 -1.42 -1.00 115.31 118.48 1i41 h LEU 287 Ca -0.05 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1i41 h LEU 287 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1i41 h LEU 287 CO 0.08 0.32 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.47 1i41 h HIS 288 N 0.20 0.00 0.00 1.25 2.76 -0.30 -0.46 115.15 118.60 1i41 h HIS 288 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1i41 h HIS 288 Cb 0.31 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1i41 h HIS 288 CO 0.00 0.30 0.00 0.72 -1.30 0.00 0.00 177.93 177.65 1i41 n HIS 289 N -4.19 0.00 -0.03 5.26 8.25 -0.14 -2.48 115.22 121.89 1i41 n HIS 289 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.37 1i41 n HIS 289 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 1i41 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i41 n ILE 290 N -0.97 0.33 0.25 1.59 5.41 -0.26 -4.60 119.36 121.11 1i41 n ILE 290 Ca 0.14 -0.09 0.11 0.00 1.00 0.00 0.00 62.75 63.92 1i41 n ILE 290 Cb 0.07 -1.56 0.53 0.00 -0.71 0.00 0.00 39.64 37.96 1i41 n ILE 290 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i41 n LEU 291 N -3.26 0.58 -3.47 1.39 4.77 -0.72 -4.90 117.00 111.38 1i41 n LEU 291 Ca -0.12 0.72 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 1i41 n LEU 291 Cb 0.59 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1i41 n LEU 291 CO 0.01 -0.79 0.03 0.61 -1.33 0.00 0.00 177.39 175.92 1i41 n GLY 292 N -0.80 -1.16 1.33 -0.72 0.00 -1.04 -4.92 105.19 97.89 1i41 n GLY 292 Ca -0.00 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 1i41 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 293 N -1.66 4.83 3.41 -0.02 0.00 -1.26 -5.05 105.19 105.44 1i41 n GLY 293 Ca -0.11 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -1.11 -1.83 -2.76 4.61 0.00 -1.26 -1.09 120.51 117.07 1i41 n ALA 294 Ca 0.37 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 1i41 n ALA 294 Cb 1.14 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1i41 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i41 s LEU 295 N 2.32 4.27 0.33 0.00 2.96 -1.26 -4.37 118.68 122.92 1i41 s LEU 295 Ca 0.63 0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 1i41 s LEU 295 Cb -0.55 -2.15 -0.10 0.00 0.50 0.00 0.00 46.19 43.89 1i41 s LEU 295 CO 0.59 0.23 1.25 0.21 -1.32 0.00 0.00 176.35 177.31 1i41 s ASN 296 N -0.03 6.85 0.19 3.68 3.84 -1.26 -4.88 114.94 123.33 1i41 s ASN 296 Ca 0.12 2.57 -0.13 0.00 0.21 0.00 0.00 52.86 55.63 1i41 s ASN 296 Cb -0.12 -2.64 0.22 0.00 -0.55 0.00 0.00 41.25 38.16 1i41 s ASN 296 CO 0.01 -0.47 1.68 -0.65 -2.79 0.00 0.00 177.10 174.88 1i41 h PRO 297 N 3.39 0.12 -0.96 0.43 0.11 -1.97 -0.89 132.00 132.24 1i41 h PRO 297 Ca -0.48 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1i41 h PRO 297 Cb 1.22 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1i41 h PRO 297 CO 0.65 0.08 0.59 -0.91 -0.21 0.00 0.00 178.00 178.20 1i41 h ASN 298 N 0.12 0.85 0.19 -2.05 2.35 -1.92 0.13 115.58 115.26 1i41 h ASN 298 Ca 0.27 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1i41 h ASN 298 Cb 0.42 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1i41 h ASN 298 CO -0.44 0.45 -0.09 0.00 -1.65 0.00 0.00 177.43 175.69 1i41 h ALA 299 N 1.52 -0.26 -0.56 -0.83 0.00 -1.60 -2.26 119.26 115.28 1i41 h ALA 299 Ca 0.48 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.36 1i41 h ALA 299 Cb 0.48 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1i41 h ALA 299 CO -0.27 -0.54 -0.11 0.00 0.00 0.00 0.00 179.25 178.33 1i41 h ALA 300 N 0.29 0.40 0.24 0.00 0.00 0.04 -1.67 119.26 118.56 1i41 h ALA 300 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1i41 h ALA 300 Cb 0.36 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1i41 h ALA 300 CO 0.04 -0.43 -0.32 -0.92 0.00 0.00 0.00 179.25 177.63 1i41 h TYR 301 N 0.02 -0.86 -1.12 0.00 3.20 -0.67 -1.23 116.97 116.32 1i41 h TYR 301 Ca 0.27 0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.47 1i41 h TYR 301 Cb 0.42 0.35 -0.11 0.00 1.54 0.00 0.00 36.73 38.93 1i41 h TYR 301 CO -0.44 -0.44 0.72 -0.07 -1.64 0.00 0.00 178.16 176.29 1i41 h LEU 302 N -0.62 0.39 -0.15 2.82 3.38 -0.71 0.50 115.31 120.91 1i41 h LEU 302 Ca 0.00 0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1i41 h LEU 302 Cb 0.59 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1i41 h LEU 302 CO -0.11 -0.01 -0.73 0.40 0.09 0.00 0.00 178.44 178.08 1i41 h ILE 303 N 0.30 1.29 -0.28 1.22 5.03 -0.70 -0.26 117.51 124.11 1i41 h ILE 303 Ca 0.67 -1.94 0.02 0.00 -0.12 0.00 0.00 64.86 63.50 1i41 h ILE 303 Cb 1.83 2.00 -0.03 0.00 -3.03 0.00 0.00 36.82 37.60 1i41 h ILE 303 CO -0.35 0.61 0.11 0.40 -0.68 0.00 0.00 178.15 178.24 1i41 h ILE 304 N 0.48 0.95 -0.72 -0.67 2.04 0.99 0.29 117.51 120.87 1i41 h ILE 304 Ca -0.05 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1i41 h ILE 304 Cb 1.36 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1i41 h ILE 304 CO 0.15 0.05 0.47 -0.09 0.00 0.00 0.00 178.15 178.73 1i41 h ARG 305 N 0.25 0.91 -0.76 2.37 2.43 -0.67 -2.60 114.38 116.31 1i41 h ARG 305 Ca 0.12 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1i41 h ARG 305 Cb 0.07 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1i41 h ARG 305 CO -0.11 0.60 0.30 0.78 -1.51 0.00 0.00 179.97 180.03 1i41 h GLY 306 N 0.94 1.22 2.00 2.80 0.00 -0.14 -2.44 103.07 107.45 1i41 h GLY 306 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1i41 h GLY 306 CO -0.08 0.63 0.00 1.03 0.00 0.00 0.00 176.54 178.12 1i41 n MET 307 N -4.31 0.20 0.28 4.80 2.81 0.01 -2.43 117.12 118.48 1i41 n MET 307 Ca 0.06 0.39 0.18 0.00 -1.81 0.00 0.00 57.70 56.53 1i41 n MET 307 Cb 0.19 -1.86 0.95 0.00 -0.71 0.00 0.00 33.22 31.79 1i41 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i41 h LYS 308 N 0.00 0.00 -0.55 0.03 1.79 -1.07 -0.64 116.57 116.14 1i41 h LYS 308 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1i41 h LYS 308 Cb 0.42 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.67 1i41 h LYS 308 CO 0.00 0.00 -0.96 0.25 -1.08 0.00 0.00 179.45 177.66 1i41 n THR 309 N -3.37 1.83 0.37 -0.16 -2.24 -1.02 -4.71 114.28 104.98 1i41 n THR 309 Ca -0.01 -3.46 -0.15 0.00 -2.27 0.00 0.00 64.05 58.17 1i41 n THR 309 Cb 0.25 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1i41 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i41 h LEU 310 N 2.31 -0.82 -0.27 3.22 5.85 -1.18 -2.64 115.31 121.78 1i41 h LEU 310 Ca 0.09 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1i41 h LEU 310 Cb 1.41 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.57 1i41 h LEU 310 CO 0.44 -0.50 -0.36 1.12 -0.34 0.00 0.00 178.44 178.79 1i41 h HIS 311 N -1.12 -1.03 -0.57 1.25 2.07 -1.90 -0.96 115.15 112.88 1i41 h HIS 311 Ca -0.10 0.05 0.11 0.00 -2.85 0.00 0.00 60.37 57.58 1i41 h HIS 311 Cb 0.74 0.49 -0.11 0.00 2.57 0.00 0.00 27.41 31.10 1i41 h HIS 311 CO 0.03 -0.42 -0.27 -0.07 -3.07 0.00 0.00 177.93 174.12 1i41 h LEU 312 N -0.36 -0.95 0.63 6.12 3.38 -1.94 0.11 115.31 122.30 1i41 h LEU 312 Ca 0.13 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1i41 h LEU 312 Cb 0.57 0.50 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1i41 h LEU 312 CO -0.47 -0.28 -0.30 0.03 0.09 0.00 0.00 178.44 177.51 1i41 h ARG 313 N -0.13 -0.81 -0.18 1.13 3.08 -1.02 -2.81 114.38 113.64 1i41 h ARG 313 Ca 0.25 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.40 1i41 h ARG 313 Cb 0.52 0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 1i41 h ARG 313 CO -0.65 -0.52 -0.39 0.28 -1.07 0.00 0.00 179.97 177.63 1i41 h VAL 314 N -0.90 0.19 -0.78 2.04 2.07 -0.77 -1.52 116.25 116.57 1i41 h VAL 314 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1i41 h VAL 314 Cb 0.67 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 1i41 h VAL 314 CO 0.14 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 177.27 1i41 n GLN 315 N -5.43 -0.34 -0.24 1.57 6.02 0.33 0.88 117.38 120.17 1i41 n GLN 315 Ca -0.03 1.40 -0.00 0.00 -0.01 0.00 0.00 57.00 58.35 1i41 n GLN 315 Cb 0.35 -2.06 0.12 0.00 1.02 0.00 0.00 30.24 29.67 1i41 n GLN 315 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1i41 h GLN 316 N 0.00 0.67 -0.30 -1.09 5.75 -1.21 -2.13 115.11 116.79 1i41 h GLN 316 Ca 0.12 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1i41 h GLN 316 Cb 0.32 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1i41 h GLN 316 CO -0.73 0.44 -0.00 1.96 -2.65 0.00 0.00 178.83 177.84 1i41 h GLN 317 N 0.69 0.54 -0.91 1.69 4.20 0.01 -1.81 115.11 119.51 1i41 h GLN 317 Ca 0.32 -0.17 0.21 0.00 0.06 0.00 0.00 58.65 59.07 1i41 h GLN 317 Cb 0.25 -0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.87 1i41 h GLN 317 CO -0.21 0.68 0.46 -0.91 -0.67 0.00 0.00 178.83 178.18 1i41 h ASN 318 N 0.33 0.47 0.00 1.46 2.35 0.11 -0.88 115.58 119.43 1i41 h ASN 318 Ca 0.09 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1i41 h ASN 318 Cb 0.44 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1i41 h ASN 318 CO 0.02 0.08 0.00 -1.20 -1.65 0.00 0.00 177.43 174.68 1i41 n SER 319 N -4.96 0.00 -0.19 5.81 7.64 -0.87 -2.72 113.62 118.33 1i41 n SER 319 Ca 0.22 0.45 -0.04 0.00 1.01 0.00 0.00 58.87 60.51 1i41 n SER 319 Cb 0.62 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1i41 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i41 n THR 320 N -1.24 -0.29 0.00 0.44 -1.04 -0.71 -0.02 114.28 111.41 1i41 n THR 320 Ca 0.00 1.11 0.00 0.00 -2.04 0.00 0.00 64.05 63.12 1i41 n THR 320 Cb 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1i41 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i41 n ALA 321 N -3.68 -0.07 -0.24 2.41 0.00 -0.34 0.19 120.51 118.78 1i41 n ALA 321 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1i41 n ALA 321 Cb 0.14 0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1i41 n ALA 321 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i41 h LEU 322 N 0.00 -1.30 -0.42 0.00 5.85 -0.24 0.71 115.31 119.91 1i41 h LEU 322 Ca 0.00 0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1i41 h LEU 322 Cb 0.00 0.57 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1i41 h LEU 322 CO 0.00 -0.15 -0.29 0.03 -0.34 0.00 0.00 178.44 177.69 1i41 h ARG 323 N -0.02 -0.20 -0.75 1.25 3.08 -1.04 0.27 114.38 116.97 1i41 h ARG 323 Ca 0.09 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.23 1i41 h ARG 323 Cb 0.26 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1i41 h ARG 323 CO -0.55 -0.13 0.49 0.52 -1.07 0.00 0.00 179.97 179.23 1i41 h MET 324 N -0.21 0.71 0.00 0.04 2.86 0.16 -1.88 114.93 116.61 1i41 h MET 324 Ca 0.19 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1i41 h MET 324 Cb 0.51 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1i41 h MET 324 CO -0.54 0.47 0.00 0.00 1.06 0.00 0.00 176.91 177.90 1i41 n ALA 325 N -2.45 -0.36 -0.28 6.32 0.00 0.23 -0.86 120.51 123.10 1i41 n ALA 325 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1i41 n ALA 325 Cb 0.27 0.13 0.06 0.00 0.00 0.00 0.00 19.45 19.92 1i41 n ALA 325 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1i41 h GLU 326 N 0.00 -0.05 -0.92 0.00 5.08 -1.07 0.76 114.58 118.37 1i41 h GLU 326 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1i41 h GLU 326 Cb 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 1i41 h GLU 326 CO 0.00 -0.03 0.52 0.82 -1.00 0.00 0.00 179.01 179.32 1i41 h ILE 327 N -0.05 0.74 0.05 3.13 2.04 -1.16 -0.77 117.51 121.49 1i41 h ILE 327 Ca 0.34 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1i41 h ILE 327 Cb 0.59 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1i41 h ILE 327 CO -0.83 0.13 -0.02 -0.07 0.00 0.00 0.00 178.15 177.36 1i41 h LEU 328 N 0.72 -0.06 -1.00 1.44 3.38 0.24 -2.09 115.31 117.94 1i41 h LEU 328 Ca 0.51 -0.35 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1i41 h LEU 328 Cb 0.72 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 1i41 h LEU 328 CO -0.36 0.33 0.61 -0.08 0.09 0.00 0.00 178.44 179.03 1i41 h GLU 329 N -0.45 0.75 0.00 1.13 4.81 -0.18 0.27 114.58 120.92 1i41 h GLU 329 Ca -0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1i41 h GLU 329 Cb 0.40 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1i41 h GLU 329 CO 0.01 0.49 -0.30 0.00 -0.73 0.00 0.00 179.01 178.49 1i41 h ALA 330 N 1.64 1.01 -2.90 2.92 0.00 -1.05 -3.45 119.26 117.44 1i41 h ALA 330 Ca 0.58 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 54.68 1i41 h ALA 330 Cb 0.89 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.73 1i41 h ALA 330 CO -0.38 0.37 0.81 -1.58 0.00 0.00 0.00 179.25 178.47 1i41 s HIS 331 N -3.63 2.64 0.15 0.00 5.65 0.96 -4.93 115.29 116.13 1i41 s HIS 331 Ca 0.00 1.05 -0.11 0.00 0.25 0.00 0.00 55.06 56.26 1i41 s HIS 331 Cb 0.11 -4.03 -0.01 0.00 -1.18 0.00 0.00 32.58 27.46 1i41 s HIS 331 CO 0.66 -3.17 1.52 -1.00 -0.65 0.00 0.00 174.74 172.10 1i41 h PRO 332 N 3.57 0.98 0.00 2.88 0.13 -1.87 -2.95 132.00 134.74 1i41 h PRO 332 Ca -0.50 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 1i41 h PRO 332 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i41 h PRO 332 CO 0.69 1.13 0.00 1.63 -0.23 0.00 0.00 178.00 181.21 1i41 n LYS 333 N -4.10 0.41 -3.34 0.86 5.02 -1.26 -4.53 118.16 111.23 1i41 n LYS 333 Ca -0.01 0.06 -0.45 0.00 -2.02 0.00 0.00 58.31 55.89 1i41 n LYS 333 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1i41 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i41 s VAL 334 N -2.40 5.19 0.13 -0.18 1.01 -1.12 -0.76 120.40 122.28 1i41 s VAL 334 Ca 0.24 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1i41 s VAL 334 Cb 0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1i41 s VAL 334 CO 0.30 -0.72 1.75 -0.09 0.00 0.00 0.00 175.10 176.34 1i41 h ARG 335 N 8.83 0.20 -3.50 2.72 2.43 -1.55 -3.46 114.38 120.05 1i41 h ARG 335 Ca -0.29 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 1i41 h ARG 335 Cb 1.10 -0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.48 1i41 h ARG 335 CO 0.95 0.13 -0.14 -1.58 -1.51 0.00 0.00 179.97 177.82 1i41 s HIS 336 N -6.18 -0.08 -0.06 2.20 2.46 -1.13 -4.99 115.29 107.51 1i41 s HIS 336 Ca -0.13 -0.26 -0.03 0.00 0.47 0.00 0.00 55.06 55.11 1i41 s HIS 336 Cb 0.10 0.18 0.04 0.00 -0.13 0.00 0.00 32.58 32.77 1i41 s HIS 336 CO 0.69 -0.69 0.13 0.08 -2.47 0.00 0.00 174.74 172.48 1i41 s VAL 337 N -3.83 -0.13 -0.27 0.89 1.01 -1.26 -2.03 120.40 114.77 1i41 s VAL 337 Ca 0.05 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1i41 s VAL 337 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1i41 s VAL 337 CO -0.10 0.11 0.13 -0.31 0.00 0.00 0.00 175.10 174.93 1i41 s TYR 338 N 1.67 3.15 -0.30 5.22 1.51 0.22 -4.82 117.35 124.01 1i41 s TYR 338 Ca -0.03 -0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 55.66 1i41 s TYR 338 Cb -0.12 -2.31 0.16 0.00 -0.11 0.00 0.00 41.96 39.58 1i41 s TYR 338 CO -0.05 -0.29 0.97 -0.47 -1.11 0.00 0.00 175.55 174.60 1i41 s TYR 339 N 1.68 -0.67 0.64 2.71 5.04 -1.26 -2.67 117.35 122.81 1i41 s TYR 339 Ca 0.07 1.21 0.33 0.00 -2.44 0.00 0.00 57.07 56.23 1i41 s TYR 339 Cb -0.16 0.40 1.81 0.00 0.35 0.00 0.00 41.96 44.37 1i41 s TYR 339 CO 0.07 -0.33 2.08 -1.35 -1.34 0.00 0.00 175.55 174.68 1i41 h PRO 340 N 7.01 0.00 -0.11 4.97 0.11 -1.87 -1.34 132.00 140.78 1i41 h PRO 340 Ca -0.20 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.74 1i41 h PRO 340 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1i41 h PRO 340 CO 0.12 0.00 -0.64 0.78 -0.21 0.00 0.00 178.00 178.06 1i41 h GLY 341 N 0.00 0.43 -1.68 -0.55 0.00 -1.93 -3.41 103.07 95.93 1i41 h GLY 341 Ca 0.05 -0.55 -0.51 0.00 0.00 0.00 0.00 47.33 46.31 1i41 h GLY 341 CO -0.00 0.49 0.37 1.08 0.00 0.00 0.00 176.54 178.48 1i41 s LEU 342 N -8.06 3.34 0.29 3.11 1.43 -0.51 -4.92 118.68 113.36 1i41 s LEU 342 Ca -0.06 2.07 0.15 0.00 -1.03 0.00 0.00 54.13 55.27 1i41 s LEU 342 Cb 0.11 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 41.97 1i41 s LEU 342 CO 0.83 -1.83 1.50 1.56 0.23 0.00 0.00 176.35 178.64 1i41 h GLN 343 N -0.15 0.00 0.00 1.70 4.20 -1.87 -3.08 115.11 115.91 1i41 h GLN 343 Ca -0.47 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.22 1i41 h GLN 343 Cb 1.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1i41 h GLN 343 CO 0.53 0.52 -0.12 0.66 -0.67 0.00 0.00 178.83 179.74 1i41 h SER 344 N 0.00 0.00 -2.89 1.46 4.64 -1.91 -3.44 113.55 111.41 1i41 h SER 344 Ca -0.01 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 1.30 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.44 1i41 h SER 344 CO 0.07 0.12 0.89 -2.28 -0.87 0.00 0.00 176.83 174.76 1i41 s HIS 345 N -4.13 3.02 0.26 4.77 5.04 -1.16 -4.92 115.29 118.16 1i41 s HIS 345 Ca -0.02 0.63 -0.07 0.00 -1.54 0.00 0.00 55.06 54.06 1i41 s HIS 345 Cb 0.13 -3.96 0.45 0.00 0.04 0.00 0.00 32.58 29.24 1i41 s HIS 345 CO 0.58 -3.49 1.60 -1.35 -2.34 0.00 0.00 174.74 169.75 1i41 h PRO 346 N 6.50 0.04 -0.55 2.88 0.11 -1.91 -1.61 132.00 137.46 1i41 h PRO 346 Ca -0.43 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 1i41 h PRO 346 Cb 1.21 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 1i41 h PRO 346 CO 0.90 0.03 0.16 -0.85 -0.21 0.00 0.00 178.00 178.03 1i41 n GLU 347 N -5.46 2.32 -0.30 1.05 0.00 -1.26 -4.68 120.64 112.31 1i41 n GLU 347 Ca 0.14 -3.09 0.16 0.00 0.00 0.00 0.00 57.16 54.38 1i41 n GLU 347 Cb 0.50 -1.96 0.41 0.00 0.00 0.00 0.00 31.44 30.39 1i41 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i41 h HIS 348 N 1.31 0.81 -0.12 -1.84 2.76 -1.52 0.22 115.15 116.77 1i41 h HIS 348 Ca 0.30 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.43 1i41 h HIS 348 Cb 2.03 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.73 1i41 h HIS 348 CO 1.14 0.20 -0.24 1.12 -1.30 0.00 0.00 177.93 178.85 1i41 h HIS 349 N 0.59 0.22 0.02 5.26 2.07 -1.83 -0.16 115.15 121.33 1i41 h HIS 349 Ca 0.53 -0.04 -0.13 0.00 -2.85 0.00 0.00 60.37 57.88 1i41 h HIS 349 Cb 1.04 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.97 1i41 h HIS 349 CO -0.00 0.44 -0.50 0.82 -3.07 0.00 0.00 177.93 175.62 1i41 h ILE 350 N 0.19 1.49 -0.63 6.12 2.04 -1.02 -2.40 117.51 123.30 1i41 h ILE 350 Ca 0.03 -2.10 0.09 0.00 1.00 0.00 0.00 64.86 63.89 1i41 h ILE 350 Cb 0.54 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.29 1i41 h ILE 350 CO 0.04 0.60 0.25 0.00 0.00 0.00 0.00 178.15 179.03 1i41 h ALA 351 N 0.26 0.82 0.00 1.87 0.00 -0.88 0.36 119.26 121.69 1i41 h ALA 351 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i41 h ALA 351 Cb 1.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i41 h ALA 351 CO 0.10 -0.17 -0.12 -0.22 0.00 0.00 0.00 179.25 178.84 1i41 h LYS 352 N 0.44 0.00 0.00 0.00 3.64 -1.04 0.19 116.57 119.80 1i41 h LYS 352 Ca 0.32 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.46 1i41 h LYS 352 Cb 0.38 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1i41 h LYS 352 CO -0.30 0.12 -1.59 1.17 -2.27 0.00 0.00 179.45 176.57 1i41 n LYS 353 N -3.88 0.63 -0.00 1.90 4.81 0.10 -4.49 118.16 117.23 1i41 n LYS 353 Ca -0.02 0.26 0.04 0.00 -0.87 0.00 0.00 58.31 57.71 1i41 n LYS 353 Cb 0.21 -1.80 -0.05 0.00 0.02 0.00 0.00 35.03 33.41 1i41 n LYS 353 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i41 n GLN 354 N -2.97 1.63 -3.41 1.64 10.64 0.33 -5.04 117.38 120.20 1i41 n GLN 354 Ca -0.14 -0.05 -0.19 0.00 -1.83 0.00 0.00 57.00 54.79 1i41 n GLN 354 Cb 0.96 -1.07 -0.02 0.00 -0.86 0.00 0.00 30.24 29.25 1i41 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i41 s MET 355 N -2.25 2.70 0.00 2.61 -1.94 0.66 -4.58 119.30 116.50 1i41 s MET 355 Ca -0.01 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.61 1i41 s MET 355 Cb 0.05 -2.55 0.00 0.00 2.01 0.00 0.00 34.83 34.34 1i41 s MET 355 CO 0.31 -0.16 0.00 0.25 -0.01 0.00 0.00 175.02 175.41 1i41 n THR 356 N -1.63 0.00 -3.92 2.05 -2.24 -0.57 -4.74 114.28 103.23 1i41 n THR 356 Ca 0.04 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1i41 n THR 356 Cb 0.60 0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1i41 n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i41 n GLY 357 N 1.30 3.74 1.33 3.38 0.00 -1.26 -5.05 105.19 108.63 1i41 n GLY 357 Ca 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.43 1i41 n GLY 357 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i41 n PHE 358 N -0.04 0.00 -2.35 1.61 3.72 -1.26 -4.97 117.46 114.16 1i41 n PHE 358 Ca 0.00 -0.45 0.04 0.00 -0.05 0.00 0.00 57.45 56.99 1i41 n PHE 358 Cb 0.04 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 1i41 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 359 N 0.37 -1.91 0.00 1.37 0.00 -1.26 -4.62 105.19 99.14 1i41 n GLY 359 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1i41 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 360 N -1.19 0.89 3.78 -0.02 0.00 -1.26 -3.91 105.19 103.48 1i41 n GLY 360 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1i41 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 361 N -0.53 3.63 -0.03 4.61 0.00 -1.26 -1.61 121.76 126.57 1i41 s ALA 361 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1i41 s ALA 361 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1i41 s ALA 361 CO 0.00 0.27 -0.02 0.08 0.00 0.00 0.00 175.76 176.09 1i41 s VAL 362 N -0.27 0.30 0.02 0.00 1.01 0.17 -4.94 120.40 116.71 1i41 s VAL 362 Ca 0.22 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1i41 s VAL 362 Cb -0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1i41 s VAL 362 CO 0.10 0.16 -0.17 -0.44 0.00 0.00 0.00 175.10 174.75 1i41 s SER 363 N 0.75 3.90 -0.27 3.32 0.01 -1.09 0.73 113.70 121.04 1i41 s SER 363 Ca -0.08 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 56.58 1i41 s SER 363 Cb -0.12 -0.69 0.08 0.00 0.21 0.00 0.00 66.02 65.51 1i41 s SER 363 CO -0.01 0.27 0.78 0.72 0.41 0.00 0.00 173.24 175.42 1i41 s PHE 364 N -0.90 -0.77 -0.00 2.43 -0.71 0.04 0.69 117.98 118.76 1i41 s PHE 364 Ca 0.14 1.79 -0.21 0.00 -1.04 0.00 0.00 56.93 57.62 1i41 s PHE 364 Cb -0.11 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1i41 s PHE 364 CO 0.05 -0.37 0.60 -1.21 -1.34 0.00 0.00 175.22 172.95 1i41 s GLU 365 N 0.59 4.33 0.22 1.99 2.02 -0.86 -1.21 118.70 125.78 1i41 s GLU 365 Ca -0.01 0.75 -0.11 0.00 0.02 0.00 0.00 54.97 55.62 1i41 s GLU 365 Cb -0.05 -3.34 -0.07 0.00 0.10 0.00 0.00 34.13 30.76 1i41 s GLU 365 CO -0.04 0.36 0.56 0.08 0.02 0.00 0.00 175.26 176.23 1i41 s VAL 366 N -0.17 4.90 -1.18 2.63 1.01 -1.20 -1.66 120.40 124.73 1i41 s VAL 366 Ca 0.31 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.67 1i41 s VAL 366 Cb -0.18 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1i41 s VAL 366 CO 0.17 -0.01 1.96 -0.67 0.00 0.00 0.00 175.10 176.55 1i41 n ASP 367 N 0.04 3.62 0.00 3.32 2.03 0.06 -4.67 116.55 120.95 1i41 n ASP 367 Ca -0.01 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1i41 n ASP 367 Cb 0.52 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1i41 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i41 n GLY 368 N 4.91 1.65 1.40 0.27 0.00 -1.26 -5.02 105.19 107.13 1i41 n GLY 368 Ca 0.49 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1i41 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i41 n ASP 369 N 0.00 1.55 0.00 1.61 5.75 -1.26 -4.77 116.55 119.43 1i41 n ASP 369 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1i41 n ASP 369 Cb 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1i41 n ASP 369 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i41 n LEU 370 N 0.00 0.00 -0.31 -2.12 -0.00 -1.26 0.39 117.00 113.69 1i41 n LEU 370 Ca -0.04 0.78 0.19 0.00 -0.00 0.00 0.00 56.01 56.93 1i41 n LEU 370 Cb 0.25 -0.29 0.45 0.00 -0.00 0.00 0.00 43.42 43.83 1i41 n LEU 370 CO 0.13 -0.29 1.21 -0.07 -0.00 0.00 0.00 177.39 178.37 1i41 h LEU 371 N 0.00 0.54 0.28 -1.96 -0.00 -1.97 0.27 115.31 112.48 1i41 h LEU 371 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1i41 h LEU 371 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1i41 h LEU 371 CO 0.00 0.16 -0.14 0.74 -0.00 0.00 0.00 178.44 179.20 1i41 h THR 372 N 0.51 0.74 -0.83 0.22 2.02 -1.49 -0.96 112.91 113.13 1i41 h THR 372 Ca 0.56 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1i41 h THR 372 Cb 1.25 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.63 1i41 h THR 372 CO -0.30 0.12 0.47 0.74 0.37 0.00 0.00 175.52 176.92 1i41 h THR 373 N -0.71 0.91 0.16 3.16 2.02 0.85 -1.56 112.91 117.75 1i41 h THR 373 Ca -0.04 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1i41 h THR 373 Cb 0.48 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1i41 h THR 373 CO 0.06 0.14 -0.20 0.00 0.37 0.00 0.00 175.52 175.90 1i41 h ALA 374 N 1.46 -0.38 -1.14 6.16 0.00 -0.88 -0.60 119.26 123.89 1i41 h ALA 374 Ca 0.40 -0.05 0.33 0.00 0.00 0.00 0.00 54.91 55.59 1i41 h ALA 374 Cb 0.36 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1i41 h ALA 374 CO -0.25 -0.74 0.73 -0.22 0.00 0.00 0.00 179.25 178.77 1i41 h LYS 375 N -0.41 0.27 0.10 0.00 3.64 -0.20 0.22 116.57 120.18 1i41 h LYS 375 Ca 0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1i41 h LYS 375 Cb 0.40 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1i41 h LYS 375 CO -0.07 0.18 -0.05 0.35 -2.27 0.00 0.00 179.45 177.59 1i41 h PHE 376 N 0.28 -0.12 -0.98 1.91 3.57 -0.49 -2.68 116.94 118.42 1i41 h PHE 376 Ca 0.68 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.41 1i41 h PHE 376 Cb 1.89 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 40.60 1i41 h PHE 376 CO -0.00 -0.07 0.65 -0.39 -2.23 0.00 0.00 178.31 176.26 1i41 h VAL 377 N -0.14 0.59 0.00 1.41 -1.51 -0.91 0.40 116.25 116.09 1i41 h VAL 377 Ca -0.01 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.30 1i41 h VAL 377 Cb 0.10 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.44 1i41 h VAL 377 CO 0.02 0.07 -0.17 0.44 -1.23 0.00 0.00 177.57 176.70 1i41 h ASP 378 N 0.37 0.00 0.79 4.19 5.19 -0.96 -2.72 116.42 123.28 1i41 h ASP 378 Ca 0.53 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.74 1i41 h ASP 378 Cb 1.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1i41 h ASP 378 CO -0.21 0.17 -0.95 0.00 -3.12 0.00 0.00 179.24 175.12 1i41 h ALA 379 N 1.83 0.44 -2.39 3.45 0.00 0.16 -3.46 119.26 119.30 1i41 h ALA 379 Ca -0.00 -0.81 -0.58 0.00 0.00 0.00 0.00 54.91 53.51 1i41 h ALA 379 Cb 0.39 -0.11 0.12 0.00 0.00 0.00 0.00 17.79 18.19 1i41 h ALA 379 CO 0.02 1.06 0.25 1.28 0.00 0.00 0.00 179.25 181.87 1i41 n LEU 380 N -3.52 2.79 -0.03 0.00 4.77 -1.03 -4.82 117.00 115.17 1i41 n LEU 380 Ca -0.02 1.10 -0.01 0.00 -0.03 0.00 0.00 56.01 57.05 1i41 n LEU 380 Cb 0.87 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1i41 n LEU 380 CO 0.47 -1.20 -0.74 0.29 -1.33 0.00 0.00 177.39 174.89 1i41 n LYS 381 N 0.31 1.55 -0.09 3.23 4.76 -1.26 -4.83 118.16 121.83 1i41 n LYS 381 Ca 0.08 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1i41 n LYS 381 Cb 0.37 -1.25 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 1i41 n LYS 381 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i41 h ILE 382 N 0.00 0.45 -4.18 -0.18 2.04 -1.97 -3.48 117.51 110.20 1i41 h ILE 382 Ca -0.16 -1.58 -0.52 0.00 1.00 0.00 0.00 64.86 63.61 1i41 h ILE 382 Cb 1.14 1.09 0.11 0.00 -0.74 0.00 0.00 36.82 38.42 1i41 h ILE 382 CO 0.01 0.15 0.39 -2.16 0.00 0.00 0.00 178.15 176.54 1i41 s PRO 383 N -2.29 2.67 -0.01 2.37 0.04 -1.26 -4.74 135.00 131.78 1i41 s PRO 383 Ca -0.21 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 1i41 s PRO 383 Cb 0.04 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1i41 s PRO 383 CO 0.40 -1.37 0.36 0.71 0.04 0.00 0.00 177.00 177.13 1i41 s TYR 384 N -2.17 3.69 -0.69 0.56 2.02 0.07 -4.82 117.35 116.01 1i41 s TYR 384 Ca 0.70 0.89 -0.25 0.00 -0.37 0.00 0.00 57.07 58.04 1i41 s TYR 384 Cb -0.23 -2.21 0.05 0.00 -0.40 0.00 0.00 41.96 39.17 1i41 s TYR 384 CO 0.41 0.65 1.11 0.42 -1.57 0.00 0.00 175.55 176.57 1i41 s ILE 385 N -1.11 4.04 0.19 2.71 1.01 -1.26 -0.90 121.20 125.89 1i41 s ILE 385 Ca 0.23 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 1i41 s ILE 385 Cb -0.16 -4.79 0.06 0.00 0.01 0.00 0.00 42.46 37.59 1i41 s ILE 385 CO 0.12 -1.63 0.95 0.00 0.00 0.00 0.00 174.94 174.38 1i41 s ALA 386 N 4.84 -1.52 1.00 9.38 0.00 -0.80 -4.96 121.76 129.70 1i41 s ALA 386 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1i41 s ALA 386 Cb -0.13 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1i41 s ALA 386 CO 0.13 -1.04 0.00 -2.30 0.00 0.00 0.00 175.76 172.54 1i41 n PRO 387 N -0.53 0.22 -1.00 0.00 -0.02 -1.26 -4.46 135.00 127.94 1i41 n PRO 387 Ca -0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1i41 n PRO 387 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.04 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N -1.98 -6.00 -3.61 2.55 2.88 -1.26 -4.98 113.62 101.23 1i41 n SER 388 Ca 0.00 0.60 -0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1i41 n SER 388 Cb 0.00 -3.16 -0.01 0.00 -0.75 0.00 0.00 64.21 60.29 1i41 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i41 s PHE 389 N -2.49 -0.06 0.00 0.66 -0.12 -1.26 -4.93 117.98 109.78 1i41 s PHE 389 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1i41 s PHE 389 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i41 s PHE 389 CO 0.00 -0.18 0.00 0.41 -0.05 0.00 0.00 175.22 175.40 1i41 n GLY 390 N -0.31 0.25 3.94 1.99 0.00 -1.26 -4.21 105.19 105.58 1i41 n GLY 390 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1i41 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 391 N -1.55 1.64 0.49 -0.02 0.00 -1.26 -4.22 107.32 102.40 1i41 s GLY 391 Ca 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 44.72 43.91 1i41 s GLY 391 CO 0.00 -0.76 2.01 0.00 0.00 0.00 0.00 173.10 174.36 1i41 s GLU 393 N -5.18 4.81 0.31 0.00 8.01 -1.26 -0.91 118.70 124.48 1i41 s GLU 393 Ca -0.06 1.48 -0.27 0.00 0.01 0.00 0.00 54.97 56.12 1i41 s GLU 393 Cb 0.19 -3.31 -0.09 0.00 -4.31 0.00 0.00 34.13 26.61 1i41 s GLU 393 CO 0.73 0.42 0.99 -1.12 0.01 0.00 0.00 175.26 176.29 1i41 s SER 394 N -0.80 7.27 0.02 -0.19 0.01 -1.26 -4.39 113.70 114.36 1i41 s SER 394 Ca 0.43 1.97 0.02 0.00 1.31 0.00 0.00 55.95 59.68 1i41 s SER 394 Cb -0.25 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 1i41 s SER 394 CO 0.31 -0.12 -0.07 -0.63 0.41 0.00 0.00 173.24 173.15 1i41 s ILE 395 N -1.46 0.49 0.09 1.44 1.01 -1.09 -0.75 121.20 120.94 1i41 s ILE 395 Ca 0.49 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1i41 s ILE 395 Cb -0.23 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1i41 s ILE 395 CO 0.29 -0.11 -0.09 0.68 0.00 0.00 0.00 174.94 175.71 1i41 s VAL 396 N -0.70 0.88 -0.04 2.92 -7.23 -0.08 -1.34 120.40 114.81 1i41 s VAL 396 Ca -0.03 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 1i41 s VAL 396 Cb -0.06 -1.36 0.11 0.00 0.56 0.00 0.00 36.38 35.63 1i41 s VAL 396 CO 0.00 -0.60 0.91 1.51 -0.31 0.00 0.00 175.10 176.61 1i41 s ASP 397 N -2.48 -0.37 -0.76 4.85 -4.77 -1.11 -1.90 116.67 110.13 1i41 s ASP 397 Ca 0.05 0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.36 1i41 s ASP 397 Cb -0.02 0.37 0.19 0.00 -1.09 0.00 0.00 42.92 42.37 1i41 s ASP 397 CO -0.01 -0.56 0.62 -1.58 0.70 0.00 0.00 175.17 174.34 1i41 s GLN 398 N -2.69 2.99 0.16 2.11 0.74 -1.26 -1.85 119.66 119.86 1i41 s GLN 398 Ca 0.03 -2.84 0.02 0.00 0.05 0.00 0.00 55.36 52.62 1i41 s GLN 398 Cb -0.01 -3.91 0.43 0.00 1.10 0.00 0.00 33.01 30.63 1i41 s GLN 398 CO -0.06 -1.22 0.79 -2.30 -0.55 0.00 0.00 175.29 171.95 1i41 n PRO 399 N 3.05 -0.04 -0.22 1.67 -0.02 -1.26 0.14 135.00 138.32 1i41 n PRO 399 Ca 0.14 0.75 -0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1i41 n PRO 399 Cb 0.38 -1.21 0.01 0.00 -0.02 0.00 0.00 33.50 32.66 1i41 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i41 h ALA 400 N 1.01 -0.01 0.00 3.55 0.00 -1.84 -0.20 119.26 121.77 1i41 h ALA 400 Ca 0.33 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 1i41 h ALA 400 Cb 0.71 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1i41 h ALA 400 CO -0.46 -0.66 -0.38 0.82 0.00 0.00 0.00 179.25 178.57 1i41 h ILE 401 N -0.14 0.62 -0.96 0.00 2.04 0.83 -0.51 117.51 119.39 1i41 h ILE 401 Ca 0.24 -1.56 0.30 0.00 1.00 0.00 0.00 64.86 64.84 1i41 h ILE 401 Cb 0.55 1.27 -0.16 0.00 -0.74 0.00 0.00 36.82 37.74 1i41 h ILE 401 CO -0.70 0.21 0.35 -0.03 0.00 0.00 0.00 178.15 177.97 1i41 h MET 402 N -1.00 0.15 0.00 2.37 4.05 -0.53 -3.18 114.93 116.79 1i41 h MET 402 Ca -0.07 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.21 1i41 h MET 402 Cb 0.63 -0.03 -0.26 0.00 -0.80 0.00 0.00 31.60 31.14 1i41 h MET 402 CO -0.04 0.10 -0.75 0.43 0.23 0.00 0.00 176.91 176.88 1i41 n SER 403 N -5.24 0.38 0.00 1.39 7.64 -0.12 -4.87 113.62 112.81 1i41 n SER 403 Ca 0.28 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.21 1i41 n SER 403 Cb 0.90 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1i41 n SER 403 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i41 n TYR 404 N 0.30 0.00 0.29 1.43 4.02 -1.02 -4.88 117.16 117.30 1i41 n TYR 404 Ca -0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.01 1i41 n TYR 404 Cb 0.95 0.08 0.69 0.00 -0.02 0.00 0.00 39.34 41.04 1i41 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i41 h TRP 405 N 0.00 0.00 0.00 -0.72 2.91 -1.08 -1.67 115.95 115.39 1i41 h TRP 405 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1i41 h TRP 405 Cb 0.97 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1i41 h TRP 405 CO 0.00 0.00 0.00 -0.40 -1.03 0.00 0.00 178.44 177.01 1i41 n ASP 406 N -2.55 0.00 -4.74 2.65 5.75 -1.26 -4.80 116.55 111.60 1i41 n ASP 406 Ca -0.00 -0.11 -0.24 0.00 -0.01 0.00 0.00 54.79 54.43 1i41 n ASP 406 Cb 0.16 -0.26 -0.07 0.00 -1.03 0.00 0.00 41.12 39.92 1i41 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i41 s LEU 407 N -2.51 3.19 0.51 -2.12 1.43 -0.63 -5.13 118.68 113.42 1i41 s LEU 407 Ca 0.23 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1i41 s LEU 407 Cb 0.15 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 1i41 s LEU 407 CO 0.34 -0.42 0.93 -0.94 0.23 0.00 0.00 176.35 176.50 1i41 s SER 408 N -3.88 6.48 0.35 2.29 1.04 -1.26 -4.82 113.70 113.90 1i41 s SER 408 Ca 0.40 1.39 0.14 0.00 0.48 0.00 0.00 55.95 58.35 1i41 s SER 408 Cb 0.00 -2.44 1.00 0.00 0.10 0.00 0.00 66.02 64.68 1i41 s SER 408 CO 0.23 -0.61 1.73 -0.61 0.98 0.00 0.00 173.24 174.95 1i41 h GLN 409 N 0.65 0.46 -0.03 4.02 5.75 -1.97 0.38 115.11 124.37 1i41 h GLN 409 Ca -0.46 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 1i41 h GLN 409 Cb 1.19 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1i41 h GLN 409 CO 0.62 0.30 -0.24 0.66 -2.65 0.00 0.00 178.83 177.52 1i41 h SER 410 N 0.47 0.27 0.36 -0.69 4.64 -1.99 -2.76 113.55 113.85 1i41 h SER 410 Ca 0.65 -0.69 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1i41 h SER 410 Cb 1.43 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1i41 h SER 410 CO -0.44 0.92 -0.15 0.44 -0.87 0.00 0.00 176.83 176.72 1i41 h ASP 411 N -0.36 0.00 0.48 4.97 3.32 -1.58 -2.33 116.42 120.92 1i41 h ASP 411 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1i41 h ASP 411 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1i41 h ASP 411 CO 0.05 0.15 -0.23 0.03 -1.72 0.00 0.00 179.24 177.52 1i41 h ARG 412 N 0.00 -0.62 0.00 3.56 3.08 -0.29 -2.91 114.38 117.20 1i41 h ARG 412 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1i41 h ARG 412 Cb 0.37 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1i41 h ARG 412 CO 0.02 -0.34 0.26 0.00 -1.07 0.00 0.00 179.97 178.84 1i41 h ALA 413 N -0.92 1.25 0.00 0.04 0.00 -1.28 -0.33 119.26 118.02 1i41 h ALA 413 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i41 h ALA 413 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1i41 h ALA 413 CO 0.11 -0.25 0.26 -0.22 0.00 0.00 0.00 179.25 179.14 1i41 h LYS 414 N 0.00 0.00 -0.98 0.00 3.64 -1.21 -2.29 116.57 115.73 1i41 h LYS 414 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1i41 h LYS 414 Cb 0.52 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.94 1i41 h LYS 414 CO 0.00 0.00 -1.17 0.66 -2.27 0.00 0.00 179.45 176.67 1i41 n TYR 415 N -2.35 1.27 0.00 1.91 4.01 -0.13 -4.98 117.16 116.88 1i41 n TYR 415 Ca -0.01 -2.75 0.00 0.00 -0.16 0.00 0.00 57.90 54.98 1i41 n TYR 415 Cb 0.29 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1i41 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 416 N -0.13 0.50 3.54 2.72 0.00 -0.86 -4.88 105.19 106.08 1i41 n GLY 416 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1i41 n GLY 416 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i41 n ILE 417 N -1.21 -0.05 -3.83 -0.61 2.08 -1.25 -4.93 119.36 109.56 1i41 n ILE 417 Ca 0.00 -0.69 -0.24 0.00 0.56 0.00 0.00 62.75 62.38 1i41 n ILE 417 Cb 0.00 -2.52 -0.02 0.00 -0.75 0.00 0.00 39.64 36.35 1i41 n ILE 417 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1i41 s MET 418 N 8.25 3.46 0.32 0.38 -1.94 -1.26 -3.75 119.30 124.77 1i41 s MET 418 Ca 1.03 -0.57 0.26 0.00 -1.71 0.00 0.00 55.69 54.69 1i41 s MET 418 Cb -0.32 -2.87 1.03 0.00 2.01 0.00 0.00 34.83 34.68 1i41 s MET 418 CO 0.30 0.41 1.78 -0.44 -0.01 0.00 0.00 175.02 177.06 1i41 h ASP 419 N 1.56 0.00 0.14 3.03 5.19 -1.96 -2.88 116.42 121.50 1i41 h ASP 419 Ca -0.50 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.64 1i41 h ASP 419 Cb 1.21 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.73 1i41 h ASP 419 CO 0.65 0.00 -1.33 0.78 -3.12 0.00 0.00 179.24 176.22 1i41 h ASN 420 N 0.00 0.48 -0.88 6.45 4.21 -1.86 -3.38 115.58 120.60 1i41 h ASN 420 Ca 0.00 -0.89 -0.74 0.00 1.21 0.00 0.00 56.30 55.87 1i41 h ASN 420 Cb 0.46 -0.16 0.02 0.00 -1.12 0.00 0.00 38.32 37.53 1i41 h ASN 420 CO 0.00 1.60 0.37 -0.11 -1.29 0.00 0.00 177.43 178.00 1i41 n LEU 421 N -3.91 0.60 -4.09 1.61 7.94 -1.09 -3.28 117.00 114.79 1i41 n LEU 421 Ca -0.22 1.04 -0.22 0.00 -1.11 0.00 0.00 56.01 55.50 1i41 n LEU 421 Cb 0.93 -0.79 -0.15 0.00 0.53 0.00 0.00 43.42 43.93 1i41 n LEU 421 CO 0.46 -1.15 -0.47 -0.69 -1.11 0.00 0.00 177.39 174.43 1i41 s VAL 422 N 1.49 1.08 -0.25 1.96 1.01 -0.35 -4.29 120.40 121.05 1i41 s VAL 422 Ca 0.87 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1i41 s VAL 422 Cb -1.24 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1i41 s VAL 422 CO 0.63 0.31 -0.06 -0.60 0.00 0.00 0.00 175.10 175.38 1i41 s ARG 423 N -0.19 2.84 -0.22 2.72 3.52 -0.77 -0.78 118.95 126.08 1i41 s ARG 423 Ca 0.03 -0.97 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 1i41 s ARG 423 Cb -0.07 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1i41 s ARG 423 CO -0.00 -0.40 0.02 0.12 -0.81 0.00 0.00 175.30 174.23 1i41 s PHE 424 N 1.33 3.06 -0.82 5.12 2.19 0.22 -2.74 117.98 126.34 1i41 s PHE 424 Ca 0.00 -0.47 -0.05 0.00 0.33 0.00 0.00 56.93 56.75 1i41 s PHE 424 Cb -0.17 -2.13 0.21 0.00 -1.31 0.00 0.00 43.02 39.62 1i41 s PHE 424 CO -0.04 -0.29 0.70 0.45 1.83 0.00 0.00 175.22 177.87 1i41 s SER 425 N 1.21 5.98 0.13 6.13 0.15 -0.45 0.46 113.70 127.31 1i41 s SER 425 Ca 0.04 -3.27 -0.35 0.00 0.70 0.00 0.00 55.95 53.07 1i41 s SER 425 Cb -0.14 -1.97 -0.15 0.00 -1.71 0.00 0.00 66.02 62.04 1i41 s SER 425 CO 0.02 -0.31 1.41 0.49 1.20 0.00 0.00 173.24 176.05 1i41 n PHE 426 N 3.00 1.80 0.00 3.44 3.72 -0.64 -2.67 117.46 126.12 1i41 n PHE 426 Ca 0.16 0.50 0.00 0.00 -0.05 0.00 0.00 57.45 58.06 1i41 n PHE 426 Cb 0.39 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.52 1i41 n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 427 N 2.76 0.87 0.00 1.37 0.00 -1.26 -4.78 105.19 104.15 1i41 n GLY 427 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1i41 n GLY 427 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i41 n VAL 428 N 0.00 0.08 -0.78 1.61 0.31 -0.09 -4.51 118.33 114.94 1i41 n VAL 428 Ca 0.00 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 1i41 n VAL 428 Cb 0.00 1.46 0.15 0.00 -0.91 0.00 0.00 33.84 34.55 1i41 n VAL 428 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i41 n GLU 429 N -0.04 -0.30 -1.69 5.55 4.71 -1.26 -4.86 120.64 122.75 1i41 n GLU 429 Ca 0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.16 56.70 1i41 n GLU 429 Cb 0.21 -2.31 -0.01 0.00 -1.01 0.00 0.00 31.44 28.32 1i41 n GLU 429 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1i41 n ASP 430 N -3.62 2.70 0.06 1.62 2.03 -1.26 -4.85 116.55 113.24 1i41 n ASP 430 Ca 0.12 1.19 -0.09 0.00 0.52 0.00 0.00 54.79 56.53 1i41 n ASP 430 Cb 0.52 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.41 1i41 n ASP 430 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1i41 h PHE 431 N 3.00 -0.81 -0.82 -0.67 3.57 -1.98 -1.97 116.94 117.26 1i41 h PHE 431 Ca -0.45 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.25 1i41 h PHE 431 Cb 1.28 0.34 -0.15 0.00 2.79 0.00 0.00 35.95 40.22 1i41 h PHE 431 CO 0.52 -0.31 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.75 1i41 h ASP 432 N -0.40 -0.57 -0.41 0.41 3.32 -1.98 0.21 116.42 117.00 1i41 h ASP 432 Ca -0.00 0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1i41 h ASP 432 Cb 0.40 0.44 -0.07 0.00 0.22 0.00 0.00 39.33 40.33 1i41 h ASP 432 CO -0.15 -0.25 0.00 0.44 -1.72 0.00 0.00 179.24 177.57 1i41 h ASP 433 N 0.04 -0.16 0.75 6.45 3.32 -1.84 0.16 116.42 125.14 1i41 h ASP 433 Ca 0.43 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.53 1i41 h ASP 433 Cb 0.73 0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.45 1i41 h ASP 433 CO -0.78 -0.04 -0.36 -0.07 -1.72 0.00 0.00 179.24 176.26 1i41 h LEU 434 N 0.11 -0.85 -0.59 1.55 3.38 0.03 -2.45 115.31 116.49 1i41 h LEU 434 Ca 0.20 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1i41 h LEU 434 Cb 0.29 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1i41 h LEU 434 CO -0.33 -0.53 -0.25 0.50 0.09 0.00 0.00 178.44 177.92 1i41 h LYS 435 N -1.14 -0.09 -0.77 1.13 3.64 -0.54 0.31 116.57 119.11 1i41 h LYS 435 Ca -0.10 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1i41 h LYS 435 Cb 0.79 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 1i41 h LYS 435 CO 0.17 -0.06 0.39 0.00 -2.27 0.00 0.00 179.45 177.68 1i41 h ALA 436 N 1.29 1.09 0.71 5.00 0.00 -0.71 0.12 119.26 126.77 1i41 h ALA 436 Ca 0.26 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1i41 h ALA 436 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i41 h ALA 436 CO -0.65 -0.04 -0.38 0.22 0.00 0.00 0.00 179.25 178.40 1i41 h ASP 437 N 0.63 -0.92 -0.51 0.00 3.58 -0.01 -0.86 116.42 118.34 1i41 h ASP 437 Ca 0.39 0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.98 1i41 h ASP 437 Cb 0.44 0.25 -0.10 0.00 1.72 0.00 0.00 39.33 41.64 1i41 h ASP 437 CO -0.29 -0.61 -0.26 0.40 -2.88 0.00 0.00 179.24 175.59 1i41 h ILE 438 N -1.00 0.28 0.33 2.25 2.04 -0.44 0.94 117.51 121.91 1i41 h ILE 438 Ca -0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1i41 h ILE 438 Cb 0.78 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1i41 h ILE 438 CO 0.14 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.80 1i41 h LEU 439 N -0.15 -1.18 -0.74 1.44 3.38 -0.70 -0.87 115.31 116.49 1i41 h LEU 439 Ca 0.23 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.44 1i41 h LEU 439 Cb 0.51 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1i41 h LEU 439 CO -0.59 -0.52 0.28 -0.61 0.09 0.00 0.00 178.44 177.08 1i41 h GLN 440 N -0.77 0.41 -0.94 1.13 -0.00 -0.82 0.60 115.11 114.72 1i41 h GLN 440 Ca -0.04 -0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.66 1i41 h GLN 440 Cb 0.69 -0.09 -0.07 0.00 0.00 0.00 0.00 27.48 28.01 1i41 h GLN 440 CO -0.10 0.27 0.59 0.00 0.00 0.00 0.00 178.83 179.59 1i41 h ALA 441 N 1.54 1.32 0.00 3.38 0.00 -0.40 -0.23 119.26 124.87 1i41 h ALA 441 Ca 0.40 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1i41 h ALA 441 Cb 0.61 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i41 h ALA 441 CO -0.41 0.34 -0.38 -0.07 0.00 0.00 0.00 179.25 178.73 1i41 h LEU 442 N 1.06 0.00 0.00 0.00 3.38 0.50 -2.73 115.31 117.52 1i41 h LEU 442 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1i41 h LEU 442 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1i41 h LEU 442 CO -0.19 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.19 1i41 n ASP 443 N -3.63 0.00 -1.20 -0.43 9.92 -0.11 -1.74 116.55 119.37 1i41 n ASP 443 Ca -0.01 0.14 0.09 0.00 -0.53 0.00 0.00 54.79 54.48 1i41 n ASP 443 Cb 0.49 -0.33 0.28 0.00 -0.64 0.00 0.00 41.12 40.91 1i41 n ASP 443 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i41 n SER 444 N -1.33 3.49 0.00 -2.24 7.64 -1.03 -5.09 113.62 115.05 1i41 n SER 444 Ca 0.07 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1i41 n SER 444 Cb 0.15 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65