#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ine h PHE 61 N 0.00 0.00 -0.31 7.33 0.04 -1.99 -2.96 116.94 119.05 3ine h PHE 61 Ca 0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.86 3ine h PHE 61 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3ine h PHE 61 CO 0.00 0.05 0.28 -0.39 -0.60 0.00 0.00 178.31 177.65 3ine h VAL 62 N 0.00 0.58 -0.00 -0.55 -1.51 -2.02 0.16 116.25 112.90 3ine h VAL 62 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3ine h VAL 62 Cb 0.38 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 3ine h VAL 62 CO 0.01 0.00 -0.23 -0.62 -1.23 0.00 0.00 177.57 175.49 3ine n GLU 63 N -4.02 0.04 0.00 5.19 1.02 -1.12 -3.16 120.64 118.59 3ine n GLU 63 Ca 0.05 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 3ine n GLU 63 Cb 0.44 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 3ine n GLU 63 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3ine n MET 64 N -1.47 0.01 -1.77 3.49 2.81 0.52 -4.67 117.12 116.05 3ine n MET 64 Ca 0.07 -0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 3ine n MET 64 Cb 0.33 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.34 3ine n MET 64 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ine n VAL 65 N -1.52 1.64 -1.89 2.03 0.31 -1.08 -2.13 118.33 115.70 3ine n VAL 65 Ca 0.04 -0.41 -0.20 0.00 -0.01 0.00 0.00 64.34 63.76 3ine n VAL 65 Cb 0.34 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 3ine n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3ine n ASP 66 N 1.08 -5.52 0.00 4.52 2.03 -1.20 -4.84 116.55 112.61 3ine n ASP 66 Ca 0.04 0.32 0.12 0.00 0.52 0.00 0.00 54.79 55.78 3ine n ASP 66 Cb 0.38 -4.78 0.62 0.00 -0.72 0.00 0.00 41.12 36.62 3ine n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ine n ASN 67 N -1.57 0.00 -4.66 1.67 6.94 -0.90 -4.77 115.26 111.97 3ine n ASN 67 Ca -0.22 -0.21 -0.32 0.00 -0.02 0.00 0.00 54.58 53.81 3ine n ASN 67 Cb 0.67 -0.22 -0.09 0.00 -2.36 0.00 0.00 39.78 37.78 3ine n ASN 67 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ine s LEU 68 N -2.44 3.40 0.19 -4.53 1.02 -0.54 -4.27 118.68 111.51 3ine s LEU 68 Ca 0.25 -0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.26 3ine s LEU 68 Cb 0.16 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 3ine s LEU 68 CO 0.34 0.27 0.28 -0.13 0.02 0.00 0.00 176.35 177.13 3ine s ARG 69 N -1.57 1.24 0.00 1.70 1.81 -0.74 -2.27 118.95 119.12 3ine s ARG 69 Ca 0.19 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 3ine s ARG 69 Cb -0.11 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.76 3ine s ARG 69 CO 0.10 -0.45 0.00 0.41 -0.68 0.00 0.00 175.30 174.67 3ine n GLY 70 N -0.25 -1.38 3.56 -3.53 0.00 -0.88 0.09 105.19 102.81 3ine n GLY 70 Ca -0.04 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 3ine n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ine s LYS 71 N -1.32 2.88 -0.31 1.61 -0.14 -1.25 -0.45 119.74 120.76 3ine s LYS 71 Ca 0.00 -0.55 -0.40 0.00 -1.36 0.00 0.00 55.97 53.66 3ine s LYS 71 Cb 0.00 -2.63 -0.16 0.00 -1.68 0.00 0.00 37.83 33.37 3ine s LYS 71 CO 0.00 0.60 1.80 0.45 -0.76 0.00 0.00 175.35 177.44 3ine n SER 72 N 2.42 2.24 0.00 2.83 2.88 0.59 -0.43 113.62 124.15 3ine n SER 72 Ca -0.18 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 3ine n SER 72 Cb 0.53 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 3ine n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ine n GLY 73 N 4.56 0.99 0.23 0.46 0.00 -1.26 -4.84 105.19 105.33 3ine n GLY 73 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.35 3ine n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ine n GLN 74 N -2.00 2.67 0.00 1.61 6.02 0.42 -4.89 117.38 121.21 3ine n GLN 74 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 3ine n GLN 74 Cb 0.00 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3ine n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ine n GLY 75 N -0.43 0.78 3.62 1.08 0.00 -1.24 -4.78 105.19 104.22 3ine n GLY 75 Ca 0.07 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3ine n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ine s TYR 76 N -2.04 3.15 0.15 1.61 1.51 -1.26 -3.79 117.35 116.68 3ine s TYR 76 Ca 0.00 0.02 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 3ine s TYR 76 Cb 0.00 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 3ine s TYR 76 CO 0.00 0.24 -0.24 1.52 -1.11 0.00 0.00 175.55 175.96 3ine s TYR 77 N -0.18 2.16 0.11 2.71 1.13 0.11 -0.39 117.35 123.00 3ine s TYR 77 Ca 0.05 -0.39 0.09 0.00 -1.41 0.00 0.00 57.07 55.41 3ine s TYR 77 Cb -0.12 -1.13 -0.04 0.00 -1.10 0.00 0.00 41.96 39.57 3ine s TYR 77 CO 0.02 0.36 -0.17 0.54 -2.51 0.00 0.00 175.55 173.79 3ine s VAL 78 N -1.37 2.90 0.11 -3.49 0.11 -0.38 -1.80 120.40 116.48 3ine s VAL 78 Ca 0.15 -1.46 -0.30 0.00 -2.93 0.00 0.00 61.98 57.44 3ine s VAL 78 Cb -0.09 -2.33 -0.06 0.00 -1.53 0.00 0.00 36.38 32.38 3ine s VAL 78 CO 0.07 0.12 1.03 -0.70 -3.33 0.00 0.00 175.10 172.28 3ine s GLU 79 N -2.11 4.62 0.16 1.54 2.12 -1.26 -0.22 118.70 123.55 3ine s GLU 79 Ca 0.18 1.56 0.01 0.00 0.36 0.00 0.00 54.97 57.08 3ine s GLU 79 Cb -0.11 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3ine s GLU 79 CO 0.10 0.09 -0.00 -1.64 -0.54 0.00 0.00 175.26 173.27 3ine s MET 80 N 0.15 1.06 0.08 4.30 -1.94 0.98 -4.09 119.30 119.84 3ine s MET 80 Ca 0.50 -1.50 0.07 0.00 -1.71 0.00 0.00 55.69 53.05 3ine s MET 80 Cb -0.25 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.35 3ine s MET 80 CO 0.31 -0.13 -0.20 0.95 -0.01 0.00 0.00 175.02 175.94 3ine s THR 81 N -3.69 1.60 0.00 2.05 -4.23 -0.33 -0.92 115.64 110.11 3ine s THR 81 Ca 0.23 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3ine s THR 81 Cb 0.06 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 3ine s THR 81 CO 0.03 -0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.35 3ine s VAL 82 N -1.05 0.48 0.00 2.29 1.01 -0.64 -1.24 120.40 121.24 3ine s VAL 82 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3ine s VAL 82 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3ine s VAL 82 CO 0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3ine n GLY 83 N 2.80 -0.60 2.75 4.51 0.00 -0.37 -0.88 105.19 113.39 3ine n GLY 83 Ca -0.14 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 3ine n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ine s SER 84 N -2.03 1.55 0.99 1.61 0.01 -1.26 -3.11 113.70 111.45 3ine s SER 84 Ca 0.00 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 3ine s SER 84 Cb 0.00 -0.40 0.19 0.00 0.21 0.00 0.00 66.02 66.02 3ine s SER 84 CO 0.00 -0.20 1.11 -2.84 0.41 0.00 0.00 173.24 171.72 3ine s PRO 85 N 2.00 0.42 0.11 12.44 0.02 -1.26 -1.25 135.00 147.48 3ine s PRO 85 Ca 0.05 1.35 -0.31 0.00 0.02 0.00 0.00 61.00 62.11 3ine s PRO 85 Cb -0.12 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 3ine s PRO 85 CO -0.05 -2.97 1.86 -2.14 -0.33 0.00 0.00 177.00 173.37 3ine s PRO 86 N -4.59 4.13 -0.25 5.54 0.02 -1.18 -4.90 135.00 133.77 3ine s PRO 86 Ca 0.67 2.61 -0.12 0.00 0.02 0.00 0.00 61.00 64.18 3ine s PRO 86 Cb -0.23 -3.70 -0.05 0.00 0.02 0.00 0.00 34.50 30.53 3ine s PRO 86 CO 0.60 -0.87 0.24 -0.65 -0.33 0.00 0.00 177.00 175.99 3ine s GLN 87 N 3.08 4.04 -0.04 5.54 -0.21 -0.06 -4.88 119.66 127.12 3ine s GLN 87 Ca 0.83 -0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.75 3ine s GLN 87 Cb -0.46 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 29.93 3ine s GLN 87 CO 0.38 -0.09 0.93 0.99 -2.12 0.00 0.00 175.29 175.38 3ine s THR 88 N 1.49 4.88 0.01 -0.19 2.01 -1.26 -1.63 115.64 120.95 3ine s THR 88 Ca 0.10 1.94 -0.04 0.00 0.31 0.00 0.00 61.69 64.00 3ine s THR 88 Cb -0.15 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3ine s THR 88 CO 0.08 0.14 0.06 -0.76 -0.69 0.00 0.00 174.62 173.45 3ine s LEU 89 N 1.23 1.86 -0.18 4.42 1.43 -0.10 -4.94 118.68 122.41 3ine s LEU 89 Ca 0.48 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 3ine s LEU 89 Cb -0.20 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 3ine s LEU 89 CO 0.24 -0.35 0.39 0.20 0.23 0.00 0.00 176.35 177.05 3ine s ASN 90 N -1.46 6.48 -0.15 2.29 0.01 -1.26 -0.02 114.94 120.84 3ine s ASN 90 Ca -0.15 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 3ine s ASN 90 Cb -0.08 -2.23 0.03 0.00 0.41 0.00 0.00 41.25 39.38 3ine s ASN 90 CO 0.00 -0.02 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.84 3ine s ILE 91 N 0.97 1.33 0.19 0.60 -1.09 0.69 -0.20 121.20 123.69 3ine s ILE 91 Ca 0.20 -0.57 -0.33 0.00 -2.23 0.00 0.00 60.65 57.72 3ine s ILE 91 Cb -0.14 -1.34 -0.14 0.00 -1.58 0.00 0.00 42.46 39.26 3ine s ILE 91 CO 0.07 0.34 1.50 -0.11 -1.23 0.00 0.00 174.94 175.52 3ine n LEU 92 N 4.83 3.07 -4.59 2.97 7.94 0.17 -1.25 117.00 130.15 3ine n LEU 92 Ca -0.14 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.44 3ine n LEU 92 Cb 0.49 -1.42 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 3ine n LEU 92 CO 0.19 -0.38 0.74 -0.69 -1.11 0.00 0.00 177.39 176.14 3ine s VAL 93 N 0.51 4.55 -0.36 1.96 1.01 0.47 -0.22 120.40 128.31 3ine s VAL 93 Ca 0.75 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.73 3ine s VAL 93 Cb -0.67 -4.36 0.11 0.00 0.00 0.00 0.00 36.38 31.45 3ine s VAL 93 CO 0.43 -0.65 0.14 -0.62 0.00 0.00 0.00 175.10 174.40 3ine s ASP 94 N 2.03 4.03 0.00 3.32 2.15 -0.79 -4.09 116.67 123.31 3ine s ASP 94 Ca 0.37 -2.09 0.25 0.00 0.43 0.00 0.00 52.55 51.51 3ine s ASP 94 Cb -0.11 -1.07 1.48 0.00 -0.30 0.00 0.00 42.92 42.93 3ine s ASP 94 CO 0.22 -0.35 1.85 0.35 -0.17 0.00 0.00 175.17 177.06 3ine n THR 95 N 4.26 0.00 0.63 1.71 -2.24 -1.26 -0.71 114.28 116.67 3ine n THR 95 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3ine n THR 95 Cb 0.39 -0.61 0.25 0.00 -2.10 0.00 0.00 70.33 68.27 3ine n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ine n GLY 96 N 0.56 1.26 3.57 3.38 0.00 -1.26 -4.21 105.19 108.50 3ine n GLY 96 Ca 0.19 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 3ine n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ine s SER 97 N -1.55 0.46 0.00 1.61 1.04 -1.21 -4.99 113.70 109.05 3ine s SER 97 Ca 0.36 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3ine s SER 97 Cb 0.21 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.00 3ine s SER 97 CO 0.30 -1.32 0.62 -1.20 0.98 0.00 0.00 173.24 172.63 3ine n SER 98 N -1.10 0.73 -4.65 7.02 7.64 -1.26 -0.53 113.62 121.46 3ine n SER 98 Ca -0.01 -1.34 -0.35 0.00 1.01 0.00 0.00 58.87 58.18 3ine n SER 98 Cb 0.61 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 3ine n SER 98 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ine s ASN 99 N -0.34 5.49 -0.65 6.43 -0.87 -1.26 -4.47 114.94 119.27 3ine s ASN 99 Ca 0.00 0.11 -0.26 0.00 -1.57 0.00 0.00 52.86 51.14 3ine s ASN 99 Cb 0.00 -1.82 0.04 0.00 -0.02 0.00 0.00 41.25 39.44 3ine s ASN 99 CO 0.00 0.25 1.15 0.12 -2.57 0.00 0.00 177.10 176.05 3ine s PHE 100 N -0.10 2.51 -0.10 2.20 5.36 -1.26 -1.58 117.98 125.02 3ine s PHE 100 Ca 0.06 -0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 3ine s PHE 100 Cb -0.12 -4.45 0.02 0.00 -0.34 0.00 0.00 43.02 38.12 3ine s PHE 100 CO 0.01 -1.76 -0.10 0.00 -1.46 0.00 0.00 175.22 171.92 3ine s ALA 101 N 4.96 1.34 -0.03 11.12 0.00 -0.54 -0.74 121.76 137.86 3ine s ALA 101 Ca 0.34 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3ine s ALA 101 Cb -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.23 3ine s ALA 101 CO 0.18 -0.23 -0.05 0.08 0.00 0.00 0.00 175.76 175.73 3ine s VAL 102 N 1.34 0.55 0.12 0.00 1.01 -0.50 0.69 120.40 123.61 3ine s VAL 102 Ca -0.02 -0.19 -0.35 0.00 0.00 0.00 0.00 61.98 61.43 3ine s VAL 102 Cb -0.14 -0.54 -0.17 0.00 0.00 0.00 0.00 36.38 35.54 3ine s VAL 102 CO -0.04 0.20 1.19 0.61 0.00 0.00 0.00 175.10 177.06 3ine n GLY 103 N 3.64 0.09 1.62 4.51 0.00 0.69 -1.49 105.19 114.26 3ine n GLY 103 Ca -0.21 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.45 3ine n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ine n ALA 104 N 1.80 2.48 -3.55 4.61 0.00 0.49 -0.75 120.51 125.59 3ine n ALA 104 Ca 0.17 -2.46 -0.11 0.00 0.00 0.00 0.00 53.44 51.04 3ine n ALA 104 Cb 0.21 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3ine n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ine s ALA 105 N -0.66 -1.87 0.38 0.00 0.00 -1.22 -4.76 121.76 113.63 3ine s ALA 105 Ca 0.33 1.38 -0.26 0.00 0.00 0.00 0.00 51.96 53.41 3ine s ALA 105 Cb 0.38 -0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 3ine s ALA 105 CO -0.15 -0.43 1.06 -2.30 0.00 0.00 0.00 175.76 173.95 3ine n PRO 106 N 0.47 1.50 -3.70 0.00 -0.02 -1.26 -4.95 135.00 127.03 3ine n PRO 106 Ca -0.11 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3ine n PRO 106 Cb 0.59 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 3ine n PRO 106 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ine s HIS 107 N -1.20 -0.57 0.55 6.00 2.46 -1.26 -5.04 115.29 116.22 3ine s HIS 107 Ca 0.61 1.33 0.32 0.00 0.47 0.00 0.00 55.06 57.79 3ine s HIS 107 Cb -0.58 0.22 1.49 0.00 -0.13 0.00 0.00 32.58 33.58 3ine s HIS 107 CO 0.58 -0.29 1.87 -1.00 -2.47 0.00 0.00 174.74 173.43 3ine h PRO 108 N 5.88 0.00 -0.00 2.88 0.13 -2.03 0.31 132.00 139.16 3ine h PRO 108 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ine h PRO 108 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ine h PRO 108 CO 0.22 0.00 -0.43 1.19 -0.23 0.00 0.00 178.00 178.75 3ine n PHE 109 N -4.17 0.00 -3.75 1.56 3.72 -1.26 -4.86 117.46 108.70 3ine n PHE 109 Ca 0.19 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.24 3ine n PHE 109 Cb 0.99 -0.19 -0.08 0.00 -0.94 0.00 0.00 39.48 39.26 3ine n PHE 109 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ine s LEU 110 N -2.81 4.20 -0.01 4.37 1.43 0.11 -4.62 118.68 121.34 3ine s LEU 110 Ca 0.16 0.23 0.21 0.00 -1.03 0.00 0.00 54.13 53.70 3ine s LEU 110 Cb 0.18 -2.08 -0.27 0.00 0.03 0.00 0.00 46.19 44.05 3ine s LEU 110 CO 0.64 0.18 0.72 1.41 0.23 0.00 0.00 176.35 179.53 3ine n HIS 111 N 3.49 0.01 -3.98 0.29 8.25 -1.26 -4.53 115.22 117.49 3ine n HIS 111 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 3ine n HIS 111 Cb 0.52 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 3ine n HIS 111 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3ine s ARG 112 N -3.23 0.59 0.12 -0.41 0.52 -1.26 -5.16 118.95 110.11 3ine s ARG 112 Ca 0.01 -0.89 -0.22 0.00 -0.52 0.00 0.00 55.73 54.10 3ine s ARG 112 Cb 0.15 0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.90 3ine s ARG 112 CO 0.89 -0.14 0.55 1.52 0.02 0.00 0.00 175.30 178.14 3ine s TYR 113 N -2.98 -0.46 0.02 -0.53 -0.85 -1.26 -4.91 117.35 106.38 3ine s TYR 113 Ca -0.02 0.33 -0.30 0.00 -0.52 0.00 0.00 57.07 56.56 3ine s TYR 113 Cb 0.01 0.45 -0.07 0.00 0.38 0.00 0.00 41.96 42.73 3ine s TYR 113 CO -0.06 -0.76 1.58 -0.47 -1.52 0.00 0.00 175.55 174.31 3ine s TYR 114 N -3.33 2.46 -0.53 -3.49 5.04 0.07 -4.94 117.35 112.63 3ine s TYR 114 Ca -0.01 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.05 3ine s TYR 114 Cb -0.00 -3.86 0.14 0.00 0.35 0.00 0.00 41.96 38.58 3ine s TYR 114 CO -0.09 -3.43 0.34 -0.65 -1.34 0.00 0.00 175.55 170.38 3ine s GLN 115 N 2.85 2.30 0.33 4.97 -0.21 -1.26 -4.33 119.66 124.31 3ine s GLN 115 Ca 0.71 -2.26 0.06 0.00 0.02 0.00 0.00 55.36 53.89 3ine s GLN 115 Cb -0.36 -3.65 0.72 0.00 1.00 0.00 0.00 33.01 30.72 3ine s GLN 115 CO 0.30 -1.13 1.86 0.00 -2.12 0.00 0.00 175.29 174.20 3ine h ARG 116 N 7.40 0.79 0.00 2.91 3.08 -1.93 -1.02 114.38 125.61 3ine h ARG 116 Ca -0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3ine h ARG 116 Cb 0.99 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3ine h ARG 116 CO 0.70 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 180.12 3ine n GLN 117 N -4.58 0.17 0.00 0.04 0.00 -1.26 -1.55 117.38 110.19 3ine n GLN 117 Ca 0.18 0.41 0.14 0.00 0.00 0.00 0.00 57.00 57.73 3ine n GLN 117 Cb 0.41 -1.83 0.49 0.00 0.00 0.00 0.00 30.24 29.31 3ine n GLN 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3ine n LEU 118 N -2.14 1.37 -4.37 2.61 4.32 -0.39 -4.86 117.00 113.54 3ine n LEU 118 Ca 0.02 -0.43 -0.35 0.00 -0.02 0.00 0.00 56.01 55.23 3ine n LEU 118 Cb 0.21 -0.03 -0.13 0.00 -1.62 0.00 0.00 43.42 41.84 3ine n LEU 118 CO 0.18 0.23 -0.35 -0.55 -1.22 0.00 0.00 177.39 175.68 3ine s SER 119 N -2.14 4.59 0.11 -1.43 0.15 -0.60 -4.26 113.70 110.12 3ine s SER 119 Ca 0.34 -0.31 0.24 0.00 0.70 0.00 0.00 55.95 56.93 3ine s SER 119 Cb 0.21 -1.80 0.95 0.00 -1.71 0.00 0.00 66.02 63.67 3ine s SER 119 CO 0.39 -0.00 1.76 -1.54 1.20 0.00 0.00 173.24 175.04 3ine n SER 120 N 4.70 0.35 -0.44 5.45 3.41 -0.38 -3.31 113.62 123.41 3ine n SER 120 Ca -0.17 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.03 3ine n SER 120 Cb 0.51 -0.64 0.09 0.00 -0.26 0.00 0.00 64.21 63.92 3ine n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ine n THR 121 N -1.85 0.73 -2.27 6.66 -2.24 -1.26 -4.98 114.28 109.06 3ine n THR 121 Ca 0.05 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 3ine n THR 121 Cb 0.31 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 3ine n THR 121 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ine s TYR 122 N -0.92 3.32 -0.12 4.78 5.04 -1.21 -4.48 117.35 123.76 3ine s TYR 122 Ca 0.15 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.97 3ine s TYR 122 Cb 0.08 -3.56 0.02 0.00 0.35 0.00 0.00 41.96 38.85 3ine s TYR 122 CO 0.11 -1.82 -0.13 1.03 -1.34 0.00 0.00 175.55 173.41 3ine s ARG 123 N 0.51 2.04 0.08 4.97 0.52 -0.33 -5.00 118.95 121.74 3ine s ARG 123 Ca 0.59 -0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 55.02 3ine s ARG 123 Cb -0.35 -1.86 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 3ine s ARG 123 CO 0.33 -0.17 1.20 0.34 0.02 0.00 0.00 175.30 177.02 3ine s ASP 124 N 1.33 7.08 0.00 0.23 -1.08 -1.26 -0.99 116.67 121.99 3ine s ASP 124 Ca 0.00 2.06 0.28 0.00 -0.52 0.00 0.00 52.55 54.37 3ine s ASP 124 Cb -0.14 -2.58 1.05 0.00 -1.46 0.00 0.00 42.92 39.79 3ine s ASP 124 CO -0.06 -0.45 1.74 0.18 0.52 0.00 0.00 175.17 177.10 3ine n LEU 125 N 3.67 1.49 -3.85 -1.34 4.77 -0.77 -4.93 117.00 116.04 3ine n LEU 125 Ca 0.08 -0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 55.21 3ine n LEU 125 Cb 0.46 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3ine n LEU 125 CO 0.56 0.25 -0.13 0.54 -1.33 0.00 0.00 177.39 177.27 3ine n ARG 126 N 0.17 -0.86 -3.64 3.23 3.00 -1.26 -4.97 116.66 112.33 3ine n ARG 126 Ca 0.19 0.42 -0.05 0.00 -0.01 0.00 0.00 57.85 58.40 3ine n ARG 126 Cb 0.35 -3.06 -0.06 0.00 0.00 0.00 0.00 32.46 29.69 3ine n ARG 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3ine s LYS 127 N -6.22 0.64 0.72 5.56 2.20 -1.26 -5.04 119.74 116.35 3ine s LYS 127 Ca 0.35 1.24 -0.05 0.00 -0.36 0.00 0.00 55.97 57.15 3ine s LYS 127 Cb -0.17 0.33 0.10 0.00 -1.51 0.00 0.00 37.83 36.59 3ine s LYS 127 CO 0.91 -0.16 1.01 0.20 -0.36 0.00 0.00 175.35 176.96 3ine s GLY 128 N 1.97 1.75 -0.24 5.54 0.00 -1.26 -0.09 107.32 114.98 3ine s GLY 128 Ca -0.09 -1.31 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 3ine s GLY 128 CO -0.19 -0.82 0.57 0.54 0.00 0.00 0.00 173.10 173.20 3ine s VAL 129 N -3.22 -0.25 -0.14 1.40 0.11 -0.04 -4.77 120.40 113.49 3ine s VAL 129 Ca 0.64 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.74 3ine s VAL 129 Cb -0.08 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3ine s VAL 129 CO 0.45 0.02 -0.16 -0.47 -3.33 0.00 0.00 175.10 171.60 3ine s TYR 130 N 1.90 2.25 -0.50 1.54 5.04 -1.26 -0.46 117.35 125.86 3ine s TYR 130 Ca -0.08 -1.21 0.03 0.00 -2.44 0.00 0.00 57.07 53.37 3ine s TYR 130 Cb -0.08 -1.62 0.15 0.00 0.35 0.00 0.00 41.96 40.76 3ine s TYR 130 CO -0.17 -0.63 0.30 0.08 -1.34 0.00 0.00 175.55 173.80 3ine s VAL 131 N 1.23 1.70 0.46 3.14 1.01 0.64 -5.00 120.40 123.58 3ine s VAL 131 Ca 0.00 -2.99 -0.15 0.00 0.00 0.00 0.00 61.98 58.83 3ine s VAL 131 Cb -0.14 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 3ine s VAL 131 CO -0.07 -0.95 0.91 -2.16 0.00 0.00 0.00 175.10 172.82 3ine s PRO 132 N -0.11 3.94 0.00 2.72 0.05 -1.26 -1.70 135.00 138.63 3ine s PRO 132 Ca 0.21 0.83 0.00 0.00 0.05 0.00 0.00 61.00 62.08 3ine s PRO 132 Cb -0.17 -2.23 0.00 0.00 0.05 0.00 0.00 34.50 32.15 3ine s PRO 132 CO -0.06 -0.15 0.00 2.48 0.05 0.00 0.00 177.00 179.33 3ine n TYR 133 N -1.30 -0.52 0.00 0.56 0.18 -1.26 -4.98 117.16 109.84 3ine n TYR 133 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 3ine n TYR 133 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 3ine n TYR 133 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 3ine n THR 134 N 0.00 0.00 -3.68 -3.48 -1.04 -1.26 -5.10 114.28 99.72 3ine n THR 134 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3ine n THR 134 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 3ine n THR 134 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3ine s LYS 137 N 0.00 0.81 -0.09 -2.82 0.00 0.17 -5.22 119.74 112.60 3ine s LYS 137 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 55.97 55.43 3ine s LYS 137 Cb 0.00 0.29 0.03 0.00 0.00 0.00 0.00 37.83 38.14 3ine s LYS 137 CO 0.00 -0.37 0.27 1.67 0.00 0.00 0.00 175.35 176.92 3ine s TRP 138 N -2.89 -0.28 0.09 1.78 1.48 -0.69 0.34 118.94 118.78 3ine s TRP 138 Ca 0.12 0.67 0.05 0.00 -1.06 0.00 0.00 56.10 55.88 3ine s TRP 138 Cb 0.01 0.10 -0.03 0.00 -1.16 0.00 0.00 33.47 32.39 3ine s TRP 138 CO -0.01 -0.17 -0.14 -1.83 -4.06 0.00 0.00 176.95 170.74 3ine s GLU 139 N -0.04 0.90 0.17 3.25 -1.05 -0.28 -0.26 118.70 121.39 3ine s GLU 139 Ca -0.02 -1.08 -0.08 0.00 -0.15 0.00 0.00 54.97 53.65 3ine s GLU 139 Cb -0.02 -0.84 0.03 0.00 -0.44 0.00 0.00 34.13 32.86 3ine s GLU 139 CO 0.01 0.17 0.40 0.41 0.95 0.00 0.00 175.26 177.20 3ine n GLY 140 N 0.94 1.42 3.30 -3.83 0.00 0.39 -2.26 105.19 105.14 3ine n GLY 140 Ca -0.19 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 3ine n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ine s GLU 141 N -2.04 2.15 0.14 1.61 2.02 -0.83 -0.86 118.70 120.89 3ine s GLU 141 Ca 0.08 -0.91 -0.23 0.00 0.02 0.00 0.00 54.97 53.93 3ine s GLU 141 Cb -0.02 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.10 3ine s GLU 141 CO 0.05 0.52 0.70 -0.51 0.02 0.00 0.00 175.26 176.05 3ine s LEU 142 N -0.53 4.55 0.39 1.80 1.43 0.87 -1.01 118.68 126.17 3ine s LEU 142 Ca 0.08 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 3ine s LEU 142 Cb -0.10 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.97 3ine s LEU 142 CO -0.00 0.22 0.72 -0.83 0.23 0.00 0.00 176.35 176.68 3ine s GLY 143 N -1.19 0.71 0.16 -3.19 0.00 -0.71 -1.85 107.32 101.25 3ine s GLY 143 Ca 0.34 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 44.15 3ine s GLY 143 CO 0.23 -0.50 -0.16 -0.51 0.00 0.00 0.00 173.10 172.16 3ine s THR 144 N -2.35 1.64 0.25 0.90 -4.23 -0.16 -0.51 115.64 111.17 3ine s THR 144 Ca 0.20 -1.91 -0.22 0.00 -1.18 0.00 0.00 61.69 58.58 3ine s THR 144 Cb -0.04 -1.78 0.05 0.00 1.34 0.00 0.00 72.50 72.06 3ine s THR 144 CO 0.14 -0.41 0.84 -0.62 -0.54 0.00 0.00 174.62 174.04 3ine s ASP 145 N -2.72 -0.16 0.07 3.99 -1.08 -1.02 -1.19 116.67 114.55 3ine s ASP 145 Ca 0.15 -0.63 -0.29 0.00 -0.52 0.00 0.00 52.55 51.25 3ine s ASP 145 Cb -0.04 0.65 -0.05 0.00 -1.46 0.00 0.00 42.92 42.01 3ine s ASP 145 CO 0.05 -1.22 0.93 -0.76 0.52 0.00 0.00 175.17 174.69 3ine s LEU 146 N -3.00 4.45 -0.01 -1.34 1.43 -1.26 -1.65 118.68 117.31 3ine s LEU 146 Ca 0.13 1.68 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 3ine s LEU 146 Cb -0.04 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 3ine s LEU 146 CO 0.06 -0.10 -0.16 -0.69 0.23 0.00 0.00 176.35 175.68 3ine s VAL 147 N 0.27 1.30 0.15 -1.59 1.01 0.19 -1.24 120.40 120.49 3ine s VAL 147 Ca 0.47 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3ine s VAL 147 Cb -0.22 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3ine s VAL 147 CO 0.28 0.33 0.00 -0.44 0.00 0.00 0.00 175.10 175.27 3ine s SER 148 N -0.48 1.00 -0.31 3.32 0.01 -0.38 -2.05 113.70 114.81 3ine s SER 148 Ca 0.06 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.18 3ine s SER 148 Cb -0.07 0.15 0.10 0.00 0.21 0.00 0.00 66.02 66.41 3ine s SER 148 CO -0.00 -0.59 0.07 -0.63 0.41 0.00 0.00 173.24 172.50 3ine s ILE 149 N -3.74 1.40 0.28 1.44 1.01 -1.26 -1.19 121.20 119.13 3ine s ILE 149 Ca 0.22 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 59.20 3ine s ILE 149 Cb 0.06 -2.01 0.27 0.00 0.01 0.00 0.00 42.46 40.79 3ine s ILE 149 CO 0.02 -0.59 1.75 -0.65 0.00 0.00 0.00 174.94 175.46 3ine h PRO 150 N 7.92 0.57 -1.81 2.79 0.11 -1.89 -0.10 132.00 139.58 3ine h PRO 150 Ca -0.11 -0.03 -0.72 0.00 0.11 0.00 0.00 66.00 65.24 3ine h PRO 150 Cb 1.02 -0.13 -0.30 0.00 0.11 0.00 0.00 31.00 31.70 3ine h PRO 150 CO 0.48 0.38 0.66 0.72 -0.21 0.00 0.00 178.00 180.03 3ine n HIS 151 N -4.90 3.08 -2.05 0.65 8.25 -1.26 -4.93 115.22 114.07 3ine n HIS 151 Ca 0.20 -2.53 0.00 0.00 -0.26 0.00 0.00 57.72 55.13 3ine n HIS 151 Cb 0.53 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.67 3ine n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ine n GLY 152 N -0.56 5.36 3.74 -1.41 0.00 -0.05 -4.34 105.19 107.94 3ine n GLY 152 Ca 0.51 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3ine n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ine s PRO 153 N 1.92 2.68 -1.47 1.61 0.04 -1.26 -4.87 135.00 133.65 3ine s PRO 153 Ca 0.00 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 3ine s PRO 153 Cb 0.00 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.68 3ine s PRO 153 CO 0.00 -1.45 2.61 -1.71 0.04 0.00 0.00 177.00 176.48 3ine n ASN 154 N -1.92 7.86 -4.24 6.66 5.15 -1.26 -4.65 115.26 122.86 3ine n ASN 154 Ca 0.14 -2.85 -0.13 0.00 -0.60 0.00 0.00 54.58 51.13 3ine n ASN 154 Cb 0.49 -1.48 -0.10 0.00 -0.53 0.00 0.00 39.78 38.16 3ine n ASN 154 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ine s VAL 155 N 0.81 0.18 -0.04 3.44 -7.23 -1.26 -5.16 120.40 111.15 3ine s VAL 155 Ca 0.60 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3ine s VAL 155 Cb 0.17 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.61 3ine s VAL 155 CO -0.07 -0.02 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.77 3ine s THR 156 N -4.03 0.49 0.13 5.32 2.01 -1.26 -4.54 115.64 113.76 3ine s THR 156 Ca 0.38 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.34 3ine s THR 156 Cb 0.07 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 3ine s THR 156 CO 0.12 0.20 -0.19 0.68 -0.69 0.00 0.00 174.62 174.75 3ine s VAL 157 N 0.76 1.67 -0.30 3.82 -7.23 -0.87 -4.93 120.40 113.32 3ine s VAL 157 Ca -0.10 -1.70 -0.21 0.00 -1.81 0.00 0.00 61.98 58.16 3ine s VAL 157 Cb -0.13 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3ine s VAL 157 CO 0.00 -0.22 0.68 -0.60 -0.31 0.00 0.00 175.10 174.65 3ine s ARG 158 N -2.34 3.96 0.17 4.82 3.52 -1.26 -0.64 118.95 127.17 3ine s ARG 158 Ca 0.10 0.43 0.09 0.00 -0.13 0.00 0.00 55.73 56.22 3ine s ARG 158 Cb -0.08 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 3ine s ARG 158 CO 0.05 -0.58 -0.19 0.00 -0.81 0.00 0.00 175.30 173.77 3ine s ALA 159 N 2.70 2.06 0.38 6.12 0.00 -0.66 -4.92 121.76 127.44 3ine s ALA 159 Ca 0.28 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 3ine s ALA 159 Cb -0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 3ine s ALA 159 CO 0.11 0.26 1.36 -0.80 0.00 0.00 0.00 175.76 176.68 3ine s ASN 160 N -2.66 6.42 -0.06 0.00 0.01 -1.26 -2.43 114.94 114.95 3ine s ASN 160 Ca 0.16 2.78 -0.00 0.00 -0.71 0.00 0.00 52.86 55.09 3ine s ASN 160 Cb -0.06 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 38.98 3ine s ASN 160 CO 0.07 -0.79 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.22 3ine s ILE 161 N -1.19 0.44 -0.37 0.60 1.01 0.33 -4.62 121.20 117.40 3ine s ILE 161 Ca 0.54 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.99 3ine s ILE 161 Cb -0.41 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3ine s ILE 161 CO 0.54 0.24 0.65 0.00 0.00 0.00 0.00 174.94 176.37 3ine s ALA 162 N 1.47 3.44 -0.62 9.38 0.00 0.08 -1.74 121.76 133.77 3ine s ALA 162 Ca -0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 3ine s ALA 162 Cb -0.13 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.84 3ine s ALA 162 CO -0.03 -1.42 0.92 0.00 0.00 0.00 0.00 175.76 175.24 3ine s ALA 163 N 2.77 3.16 -0.23 0.00 0.00 -0.18 -1.41 121.76 125.87 3ine s ALA 163 Ca 0.25 -1.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 3ine s ALA 163 Cb -0.14 -3.78 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 3ine s ALA 163 CO 0.16 -2.60 1.76 0.42 0.00 0.00 0.00 175.76 175.49 3ine s ILE 164 N 3.88 3.51 -0.06 0.00 1.01 -0.55 -1.97 121.20 127.03 3ine s ILE 164 Ca 0.23 0.56 0.17 0.00 0.00 0.00 0.00 60.65 61.62 3ine s ILE 164 Cb -0.16 -3.56 -0.26 0.00 0.01 0.00 0.00 42.46 38.49 3ine s ILE 164 CO 0.13 -0.27 0.31 0.35 0.00 0.00 0.00 174.94 175.46 3ine n THR 165 N 6.75 0.27 -3.75 2.92 -2.24 -0.96 -0.38 114.28 116.89 3ine n THR 165 Ca 0.21 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 3ine n THR 165 Cb 0.45 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 3ine n THR 165 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ine s GLU 166 N -3.05 0.60 0.19 -0.78 2.56 -1.16 -4.77 118.70 112.28 3ine s GLU 166 Ca -0.07 0.05 -0.21 0.00 0.00 0.00 0.00 54.97 54.74 3ine s GLU 166 Cb 0.10 0.27 0.05 0.00 2.00 0.00 0.00 34.13 36.55 3ine s GLU 166 CO 0.73 -0.14 0.59 -1.54 -0.56 0.00 0.00 175.26 174.34 3ine s SER 167 N -0.82 -0.40 -0.08 -1.70 1.04 -1.26 -1.12 113.70 109.36 3ine s SER 167 Ca -0.09 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 3ine s SER 167 Cb -0.04 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.73 3ine s SER 167 CO 0.03 -1.07 0.08 -0.62 0.98 0.00 0.00 173.24 172.64 3ine s ASP 168 N -2.82 1.44 -1.46 7.02 2.15 0.15 -4.86 116.67 118.29 3ine s ASP 168 Ca 0.06 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.84 3ine s ASP 168 Cb -0.02 -0.13 0.06 0.00 -0.30 0.00 0.00 42.92 42.53 3ine s ASP 168 CO -0.06 -0.28 0.77 0.29 -0.17 0.00 0.00 175.17 175.73 3ine n LYS 169 N 5.30 -4.87 -0.09 4.34 5.02 -1.26 0.45 118.16 127.05 3ine n LYS 169 Ca -0.04 0.63 -0.14 0.00 -2.02 0.00 0.00 58.31 56.74 3ine n LYS 169 Cb 0.50 -5.47 -0.05 0.00 -0.02 0.00 0.00 35.03 29.99 3ine n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ine n PHE 170 N -4.45 0.00 -2.28 2.13 7.35 -1.26 -4.69 117.46 114.26 3ine n PHE 170 Ca -0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 3ine n PHE 170 Cb 0.55 -0.58 -0.01 0.00 0.35 0.00 0.00 39.48 39.79 3ine n PHE 170 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3ine s PHE 171 N -2.69 2.88 -0.16 -5.13 0.40 -1.26 -5.04 117.98 106.98 3ine s PHE 171 Ca -0.28 1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 57.57 3ine s PHE 171 Cb 0.07 -3.12 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 3ine s PHE 171 CO 0.40 -1.16 -0.05 0.42 0.70 0.00 0.00 175.22 175.52 3ine s ILE 172 N -2.07 3.66 -0.00 0.64 1.01 -1.26 -5.04 121.20 118.13 3ine s ILE 172 Ca 0.68 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.59 3ine s ILE 172 Cb -0.18 -2.60 -0.09 0.00 0.01 0.00 0.00 42.46 39.59 3ine s ILE 172 CO 0.28 0.49 1.98 -3.20 0.00 0.00 0.00 174.94 174.48 3ine n ASN 173 N 3.73 3.98 0.00 3.58 5.15 -1.26 -2.35 115.26 128.09 3ine n ASN 173 Ca -0.18 0.87 0.00 0.00 -0.60 0.00 0.00 54.58 54.68 3ine n ASN 173 Cb 0.52 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 3ine n ASN 173 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ine n GLY 174 N 4.61 0.61 0.24 8.20 0.00 -1.26 -4.91 105.19 112.68 3ine n GLY 174 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 3ine n GLY 174 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ine h SER 175 N 0.00 0.00 -0.14 1.61 4.64 -1.82 -3.47 113.55 114.38 3ine h SER 175 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3ine h SER 175 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ine h SER 175 CO 0.00 0.19 -0.05 -3.20 -0.87 0.00 0.00 176.83 172.89 3ine n ASN 176 N -3.83 -4.06 -4.47 4.97 5.15 -1.26 -4.52 115.26 107.24 3ine n ASN 176 Ca -0.02 0.07 -0.26 0.00 -0.60 0.00 0.00 54.58 53.78 3ine n ASN 176 Cb 0.29 -1.82 -0.11 0.00 -0.53 0.00 0.00 39.78 37.61 3ine n ASN 176 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3ine s TRP 177 N -1.88 2.38 0.00 1.20 1.48 -1.26 -4.65 118.94 116.21 3ine s TRP 177 Ca 0.00 -0.32 0.00 0.00 -1.06 0.00 0.00 56.10 54.72 3ine s TRP 177 Cb 0.00 -1.13 0.00 0.00 -1.16 0.00 0.00 33.47 31.18 3ine s TRP 177 CO 0.00 0.56 0.52 0.39 -4.06 0.00 0.00 176.95 174.36 3ine n GLU 178 N -0.06 -0.12 -3.81 3.25 4.71 0.72 -4.89 120.64 120.44 3ine n GLU 178 Ca -0.10 -0.60 -0.05 0.00 -0.01 0.00 0.00 57.16 56.40 3ine n GLU 178 Cb 0.57 -0.91 -0.00 0.00 -1.01 0.00 0.00 31.44 30.09 3ine n GLU 178 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3ine s GLY 179 N -0.17 -0.05 -0.06 0.62 0.00 -1.16 -0.22 107.32 106.28 3ine s GLY 179 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.58 3ine s GLY 179 CO 0.00 0.45 -0.17 -0.42 0.00 0.00 0.00 173.10 172.96 3ine s ILE 180 N -3.02 1.48 -0.60 0.90 -1.09 0.22 -0.65 121.20 118.43 3ine s ILE 180 Ca 0.15 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 57.77 3ine s ILE 180 Cb -0.03 -1.28 0.16 0.00 -1.58 0.00 0.00 42.46 39.72 3ine s ILE 180 CO 0.05 0.43 0.46 -0.22 -1.23 0.00 0.00 174.94 174.43 3ine s LEU 181 N 0.19 5.68 -0.25 2.97 2.96 0.69 -1.47 118.68 129.44 3ine s LEU 181 Ca -0.08 -2.48 -0.29 0.00 -0.22 0.00 0.00 54.13 51.06 3ine s LEU 181 Cb -0.13 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3ine s LEU 181 CO 0.03 -0.52 1.45 -0.83 -1.32 0.00 0.00 176.35 175.17 3ine s GLY 182 N 1.66 1.32 0.00 7.98 0.00 -0.61 -1.89 107.32 115.77 3ine s GLY 182 Ca 0.13 0.30 0.21 0.00 0.00 0.00 0.00 44.72 45.36 3ine s GLY 182 CO -0.04 2.79 1.20 1.04 0.00 0.00 0.00 173.10 178.09 3ine n LEU 183 N 7.97 2.87 0.00 0.66 4.77 0.11 -4.27 117.00 129.10 3ine n LEU 183 Ca 0.17 -1.09 -0.09 0.00 -0.03 0.00 0.00 56.01 54.97 3ine n LEU 183 Cb 0.46 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3ine n LEU 183 CO 0.64 0.51 0.25 0.00 -1.33 0.00 0.00 177.39 177.46 3ine n ALA 184 N 1.22 -0.29 -2.27 -1.18 0.00 0.31 -4.94 120.51 113.38 3ine n ALA 184 Ca 0.13 -0.61 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 3ine n ALA 184 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ine n ALA 184 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ine s TYR 185 N -1.55 3.48 0.55 0.00 1.51 -0.59 -4.57 117.35 116.18 3ine s TYR 185 Ca 0.24 0.71 0.28 0.00 -1.01 0.00 0.00 57.07 57.29 3ine s TYR 185 Cb -0.01 -2.35 1.45 0.00 -0.11 0.00 0.00 41.96 40.94 3ine s TYR 185 CO 0.16 -0.35 1.96 0.00 -1.11 0.00 0.00 175.55 176.21 3ine h ALA 186 N 0.20 2.43 -0.83 3.71 0.00 -1.87 -2.55 119.26 120.36 3ine h ALA 186 Ca -0.47 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.59 3ine h ALA 186 Cb 1.22 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3ine h ALA 186 CO 0.61 -0.72 0.55 1.49 0.00 0.00 0.00 179.25 181.18 3ine h GLU 187 N 0.00 0.46 -0.50 0.00 4.81 -1.87 -1.16 114.58 116.32 3ine h GLU 187 Ca 0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3ine h GLU 187 Cb 1.13 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3ine h GLU 187 CO -0.00 0.30 0.00 0.44 -0.73 0.00 0.00 179.01 179.02 3ine n ILE 188 N -4.51 1.38 -2.33 2.32 -5.35 -0.96 -4.62 119.36 105.30 3ine n ILE 188 Ca 0.17 -1.16 -0.34 0.00 -0.27 0.00 0.00 62.75 61.15 3ine n ILE 188 Cb 0.57 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.77 3ine n ILE 188 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ine s ALA 189 N -1.45 2.80 -0.02 -1.28 0.00 -0.44 -4.60 121.76 116.77 3ine s ALA 189 Ca 0.39 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3ine s ALA 189 Cb 0.23 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3ine s ALA 189 CO 0.21 -0.56 0.01 1.03 0.00 0.00 0.00 175.76 176.46 3ine s ARG 190 N -3.53 2.87 0.39 0.00 1.81 -1.26 -2.34 118.95 116.89 3ine s ARG 190 Ca 0.67 -0.54 0.27 0.00 -1.72 0.00 0.00 55.73 54.41 3ine s ARG 190 Cb -0.17 -2.73 0.90 0.00 -0.45 0.00 0.00 34.95 32.49 3ine s ARG 190 CO 0.27 0.65 1.78 -1.35 -0.68 0.00 0.00 175.30 175.97 3ine h PRO 191 N 4.49 0.00 -2.67 3.54 0.11 -1.96 -3.47 132.00 132.04 3ine h PRO 191 Ca -0.49 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3ine h PRO 191 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3ine h PRO 191 CO 0.57 0.00 0.52 0.16 -0.21 0.00 0.00 178.00 179.04 3ine s ASP 192 N -5.26 0.02 0.00 -2.05 -4.77 -0.99 -5.04 116.67 98.58 3ine s ASP 192 Ca 0.05 -0.82 0.15 0.00 -3.30 0.00 0.00 52.55 48.63 3ine s ASP 192 Cb 0.09 0.59 0.89 0.00 -1.09 0.00 0.00 42.92 43.40 3ine s ASP 192 CO 0.55 -1.18 1.38 -0.90 0.70 0.00 0.00 175.17 175.73 3ine n ASP 193 N -1.34 0.00 0.14 2.11 5.68 -1.24 -2.24 116.55 119.66 3ine n ASP 193 Ca -0.04 -0.96 0.12 0.00 -0.50 0.00 0.00 54.79 53.41 3ine n ASP 193 Cb 0.59 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.74 3ine n ASP 193 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ine h SER 194 N 0.00 0.00 -2.05 -1.12 4.64 -1.92 -3.43 113.55 109.67 3ine h SER 194 Ca 0.00 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.69 3ine h SER 194 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 3ine h SER 194 CO 0.00 0.02 1.06 -0.22 -0.87 0.00 0.00 176.83 176.82 3ine s LEU 195 N -5.33 3.75 0.06 5.97 2.96 -0.95 -4.97 118.68 120.17 3ine s LEU 195 Ca 0.05 -1.06 -0.32 0.00 -0.22 0.00 0.00 54.13 52.58 3ine s LEU 195 Cb 0.09 -2.51 -0.11 0.00 0.50 0.00 0.00 46.19 44.15 3ine s LEU 195 CO 0.70 -1.56 1.82 1.21 -1.32 0.00 0.00 176.35 177.20 3ine n GLU 196 N 8.54 2.51 -0.99 1.98 2.13 -1.26 -4.90 120.64 128.64 3ine n GLU 196 Ca 0.13 0.91 -0.31 0.00 0.66 0.00 0.00 57.16 58.56 3ine n GLU 196 Cb 0.49 -2.78 0.13 0.00 0.27 0.00 0.00 31.44 29.55 3ine n GLU 196 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3ine s PRO 197 N 3.00 1.66 0.12 5.31 0.02 -1.26 -4.52 135.00 139.33 3ine s PRO 197 Ca 0.85 1.35 -0.26 0.00 0.02 0.00 0.00 61.00 62.96 3ine s PRO 197 Cb -0.57 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.08 3ine s PRO 197 CO 0.42 -2.12 1.63 0.35 -0.33 0.00 0.00 177.00 176.95 3ine h PHE 198 N -1.49 -0.75 -0.58 6.54 3.04 -1.80 -2.27 116.94 119.63 3ine h PHE 198 Ca -0.43 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 3ine h PHE 198 Cb 1.25 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 40.06 3ine h PHE 198 CO 0.54 -0.37 0.33 0.35 -2.02 0.00 0.00 178.31 177.14 3ine h PHE 199 N -0.43 0.76 -0.27 0.41 3.57 -1.92 0.67 116.94 119.72 3ine h PHE 199 Ca 0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3ine h PHE 199 Cb 0.51 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3ine h PHE 199 CO -0.30 0.52 0.14 -0.44 -2.23 0.00 0.00 178.31 175.99 3ine h ASP 200 N 0.79 0.20 -0.64 0.41 3.32 -1.84 -1.26 116.42 117.40 3ine h ASP 200 Ca 0.21 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3ine h ASP 200 Cb -0.00 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3ine h ASP 200 CO -0.04 0.15 0.42 0.28 -1.72 0.00 0.00 179.24 178.34 3ine h SER 201 N 0.29 0.74 -0.35 6.45 0.02 -0.61 -0.97 113.55 119.12 3ine h SER 201 Ca 0.11 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3ine h SER 201 Cb 0.03 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3ine h SER 201 CO -0.08 0.54 0.19 0.25 -1.14 0.00 0.00 176.83 176.59 3ine h LEU 202 N 0.87 0.29 -0.13 5.07 5.85 -0.62 0.95 115.31 127.59 3ine h LEU 202 Ca 0.24 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3ine h LEU 202 Cb -0.09 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 3ine h LEU 202 CO -0.05 0.21 -0.02 0.58 -0.34 0.00 0.00 178.44 178.82 3ine h VAL 203 N 0.38 1.28 -0.80 1.05 2.07 -1.06 -0.81 116.25 118.36 3ine h VAL 203 Ca 0.14 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ine h VAL 203 Cb 0.03 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3ine h VAL 203 CO -0.09 0.27 0.53 0.11 0.02 0.00 0.00 177.57 178.41 3ine h LYS 204 N -0.05 1.05 0.00 1.57 1.57 -1.00 -3.15 116.57 116.56 3ine h LYS 204 Ca 0.03 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3ine h LYS 204 Cb 0.43 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3ine h LYS 204 CO 0.01 0.69 -1.07 1.96 -0.57 0.00 0.00 179.45 180.47 3ine h GLN 205 N 1.08 0.00 0.00 3.15 4.20 -0.74 -3.48 115.11 119.33 3ine h GLN 205 Ca 0.29 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.46 3ine h GLN 205 Cb -0.12 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.55 3ine h GLN 205 CO -0.06 0.22 -0.40 0.25 -0.67 0.00 0.00 178.83 178.17 3ine n THR 206 N -2.90 0.00 -0.11 -0.54 -2.24 -0.32 -5.03 114.28 103.14 3ine n THR 206 Ca -0.04 -1.99 0.08 0.00 -2.27 0.00 0.00 64.05 59.83 3ine n THR 206 Cb 0.72 0.44 0.29 0.00 -2.10 0.00 0.00 70.33 69.68 3ine n THR 206 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ine n HIS 207 N -1.01 1.09 -2.05 4.78 8.25 -1.26 -4.73 115.22 120.29 3ine n HIS 207 Ca -0.16 -0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 56.42 3ine n HIS 207 Cb 0.53 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 3ine n HIS 207 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ine s VAL 208 N -1.59 3.35 0.54 1.59 1.01 -1.26 -4.96 120.40 119.09 3ine s VAL 208 Ca 0.42 0.74 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 3ine s VAL 208 Cb 0.25 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 3ine s VAL 208 CO 0.23 -0.01 1.06 -2.65 0.00 0.00 0.00 175.10 173.73 3ine n PRO 209 N 5.71 1.19 -1.64 2.72 -0.02 -1.26 -4.64 135.00 137.06 3ine n PRO 209 Ca 0.15 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3ine n PRO 209 Cb 0.42 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3ine n PRO 209 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ine n ASN 210 N -0.48 3.51 -3.59 2.55 5.15 -1.26 -4.24 115.26 116.89 3ine n ASN 210 Ca 0.12 -2.79 -0.12 0.00 -0.60 0.00 0.00 54.58 51.19 3ine n ASN 210 Cb 0.45 -1.50 -0.06 0.00 -0.53 0.00 0.00 39.78 38.13 3ine n ASN 210 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3ine s LEU 211 N 2.46 -0.48 0.09 1.20 0.20 -1.26 -1.36 118.68 119.53 3ine s LEU 211 Ca 0.52 0.70 -0.09 0.00 0.69 0.00 0.00 54.13 55.94 3ine s LEU 211 Cb 0.13 2.04 0.00 0.00 -0.43 0.00 0.00 46.19 47.92 3ine s LEU 211 CO -0.00 -0.32 0.21 0.72 -0.29 0.00 0.00 176.35 176.68 3ine s PHE 212 N -0.55 0.12 0.04 5.38 -0.12 -1.06 -0.22 117.98 121.57 3ine s PHE 212 Ca -0.02 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 3ine s PHE 212 Cb -0.02 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 3ine s PHE 212 CO 0.00 -0.57 -0.08 -1.54 -0.05 0.00 0.00 175.22 172.99 3ine s SER 213 N -2.86 0.87 -0.12 1.98 1.04 0.57 -0.04 113.70 115.14 3ine s SER 213 Ca 0.05 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.97 3ine s SER 213 Cb 0.04 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3ine s SER 213 CO -0.11 -0.18 -0.18 -0.76 0.98 0.00 0.00 173.24 172.99 3ine s LEU 214 N -1.50 1.85 -0.36 2.42 1.43 0.57 -0.74 118.68 122.34 3ine s LEU 214 Ca -0.09 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3ine s LEU 214 Cb -0.10 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 45.01 3ine s LEU 214 CO 0.00 0.04 0.11 -1.58 0.23 0.00 0.00 176.35 175.15 3ine s GLN 215 N 0.92 1.93 -0.21 1.70 0.74 -0.18 -0.93 119.66 123.64 3ine s GLN 215 Ca -0.07 -1.72 -0.12 0.00 0.05 0.00 0.00 55.36 53.50 3ine s GLN 215 Cb -0.15 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 3ine s GLN 215 CO -0.02 -0.93 0.22 -0.51 -0.55 0.00 0.00 175.29 173.50 3ine s LEU 216 N 1.09 4.16 -0.02 3.68 1.43 -1.26 -0.06 118.68 127.70 3ine s LEU 216 Ca 0.06 0.27 0.15 0.00 -1.03 0.00 0.00 54.13 53.58 3ine s LEU 216 Cb -0.21 -2.22 -0.23 0.00 0.03 0.00 0.00 46.19 43.57 3ine s LEU 216 CO -0.05 0.07 0.33 0.00 0.23 0.00 0.00 176.35 176.93 3ine n GLY 218 N 1.66 0.51 0.04 0.00 0.00 -1.23 -4.71 105.19 101.47 3ine n GLY 218 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ine n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ine n ALA 219 N 6.03 0.31 -0.00 4.61 0.00 -1.26 -2.66 120.51 127.54 3ine n ALA 219 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ine n ALA 219 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ine n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ine n GLY 220 N 2.42 -2.81 3.13 0.00 0.00 -1.26 -4.97 105.19 101.69 3ine n GLY 220 Ca 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 3ine n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ine s PHE 221 N -3.75 1.69 0.14 1.61 2.99 -1.26 -5.14 117.98 114.26 3ine s PHE 221 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 56.93 56.12 3ine s PHE 221 Cb 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 43.02 41.71 3ine s PHE 221 CO 0.00 -0.16 0.89 -0.11 -0.00 0.00 0.00 175.22 175.84 3ine n LEU 229 N 3.14 0.08 -4.57 -0.37 0.00 -1.26 -5.16 117.00 108.87 3ine n LEU 229 Ca -0.18 1.14 -0.44 0.00 0.00 0.00 0.00 56.01 56.53 3ine n LEU 229 Cb 0.53 -1.04 -0.01 0.00 0.00 0.00 0.00 43.42 42.90 3ine n LEU 229 CO 0.25 -2.10 0.50 0.00 0.00 0.00 0.00 177.39 176.04 3ine n ALA 230 N 0.88 -0.46 -2.08 1.96 0.00 -1.26 -4.65 120.51 114.90 3ine n ALA 230 Ca 0.17 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.59 3ine n ALA 230 Cb 0.20 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 3ine n ALA 230 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ine s SER 231 N -0.63 7.23 0.27 0.00 0.01 -1.26 -0.30 113.70 119.01 3ine s SER 231 Ca 0.60 1.49 0.11 0.00 1.31 0.00 0.00 55.95 59.46 3ine s SER 231 Cb -0.70 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.04 3ine s SER 231 CO 0.59 0.18 -0.15 0.68 0.41 0.00 0.00 173.24 174.96 3ine s VAL 232 N -1.23 2.75 0.12 3.43 -7.23 0.41 -4.32 120.40 114.34 3ine s VAL 232 Ca 0.36 -2.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3ine s VAL 232 Cb -0.21 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3ine s VAL 232 CO 0.23 -0.37 0.06 -0.83 -0.31 0.00 0.00 175.10 173.89 3ine s GLY 233 N -3.48 0.91 -0.03 2.32 0.00 -1.09 -2.07 107.32 103.88 3ine s GLY 233 Ca 0.30 -1.41 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 3ine s GLY 233 CO 0.16 -1.33 0.40 0.61 0.00 0.00 0.00 173.10 172.94 3ine n GLY 234 N -0.08 0.32 2.99 0.20 0.00 -0.96 -1.44 105.19 106.22 3ine n GLY 234 Ca -0.06 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 3ine n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ine s SER 235 N -1.86 0.93 -0.35 1.61 0.01 0.92 -1.47 113.70 113.49 3ine s SER 235 Ca 0.09 -0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 3ine s SER 235 Cb -0.00 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.14 3ine s SER 235 CO -0.01 0.08 0.10 -0.32 0.41 0.00 0.00 173.24 173.50 3ine s MET 236 N -0.03 2.27 -0.41 12.44 1.75 -1.26 -1.01 119.30 133.06 3ine s MET 236 Ca 0.01 -1.49 -0.21 0.00 -1.25 0.00 0.00 55.69 52.75 3ine s MET 236 Cb -0.05 -3.39 0.02 0.00 2.84 0.00 0.00 34.83 34.25 3ine s MET 236 CO -0.00 -0.82 0.64 0.42 -0.65 0.00 0.00 175.02 174.61 3ine s ILE 237 N 1.23 4.85 -0.20 10.11 -1.09 0.08 -4.90 121.20 131.26 3ine s ILE 237 Ca 0.01 0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.59 3ine s ILE 237 Cb -0.21 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 3ine s ILE 237 CO -0.02 -0.49 0.31 -0.63 -1.23 0.00 0.00 174.94 172.88 3ine s ILE 238 N 2.79 5.26 0.00 2.92 1.01 -1.26 -0.32 121.20 131.61 3ine s ILE 238 Ca 0.23 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.42 3ine s ILE 238 Cb -0.14 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3ine s ILE 238 CO 0.18 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3ine n GLY 239 N 3.92 0.67 0.00 6.18 0.00 0.70 -4.81 105.19 111.84 3ine n GLY 239 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3ine n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ine n GLY 240 N -2.62 -1.43 3.30 -0.02 0.00 -1.25 -4.37 105.19 98.79 3ine n GLY 240 Ca 0.00 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3ine n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ine s ILE 241 N -2.37 2.64 -0.49 -0.61 1.01 -1.26 -4.26 121.20 115.86 3ine s ILE 241 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3ine s ILE 241 Cb 0.00 -2.09 0.09 0.00 0.01 0.00 0.00 42.46 40.48 3ine s ILE 241 CO 0.00 0.53 0.41 -0.62 0.00 0.00 0.00 174.94 175.26 3ine s ASP 242 N 0.48 6.08 0.60 3.58 3.68 -1.26 -4.95 116.67 124.87 3ine s ASP 242 Ca -0.12 -1.51 0.34 0.00 2.13 0.00 0.00 52.55 53.39 3ine s ASP 242 Cb -0.16 -2.16 1.90 0.00 -1.45 0.00 0.00 42.92 41.05 3ine s ASP 242 CO 0.05 -0.70 2.24 0.45 0.13 0.00 0.00 175.17 177.34 3ine h HIS 243 N 8.74 0.00 0.00 -5.34 3.86 -1.98 0.17 115.15 120.59 3ine h HIS 243 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3ine h HIS 243 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 3ine h HIS 243 CO 0.66 0.03 0.00 -1.13 0.86 0.00 0.00 177.93 178.35 3ine n SER 244 N -3.54 0.40 -0.18 2.45 3.41 -1.26 -2.87 113.62 112.04 3ine n SER 244 Ca -0.03 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 3ine n SER 244 Cb 0.12 -0.69 0.49 0.00 -0.26 0.00 0.00 64.21 63.88 3ine n SER 244 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ine n LEU 245 N -1.95 0.73 -3.79 1.04 4.77 0.05 -4.76 117.00 113.09 3ine n LEU 245 Ca 0.02 -0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3ine n LEU 245 Cb 0.19 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3ine n LEU 245 CO 0.16 0.14 0.06 -0.72 -1.33 0.00 0.00 177.39 175.70 3ine s TYR 246 N -2.51 0.05 0.18 -1.77 1.13 -1.14 -0.94 117.35 112.36 3ine s TYR 246 Ca 0.26 -0.42 0.10 0.00 -1.41 0.00 0.00 57.07 55.60 3ine s TYR 246 Cb 0.20 0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 3ine s TYR 246 CO 0.50 -0.69 -0.20 0.95 -2.51 0.00 0.00 175.55 173.60 3ine s THR 247 N -3.87 2.05 0.00 -3.49 -4.23 -0.13 -4.82 115.64 101.14 3ine s THR 247 Ca 0.08 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3ine s THR 247 Cb 0.03 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.89 3ine s THR 247 CO -0.08 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3ine n GLY 248 N 0.20 -0.64 3.92 3.99 0.00 -1.26 -3.44 105.19 107.96 3ine n GLY 248 Ca -0.12 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 3ine n GLY 248 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ine s SER 249 N -4.00 6.41 -0.07 1.61 0.01 -1.26 -4.94 113.70 111.45 3ine s SER 249 Ca 0.00 0.42 -0.21 0.00 1.31 0.00 0.00 55.95 57.47 3ine s SER 249 Cb 0.00 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 3ine s SER 249 CO 0.00 0.02 0.62 -0.76 0.41 0.00 0.00 173.24 173.52 3ine s LEU 250 N -3.03 4.32 -0.10 2.44 1.43 -1.26 -4.46 118.68 118.01 3ine s LEU 250 Ca 0.38 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 3ine s LEU 250 Cb -0.12 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3ine s LEU 250 CO 0.28 -0.05 -0.12 0.26 0.23 0.00 0.00 176.35 176.95 3ine s TRP 251 N 0.60 2.82 -0.11 0.29 0.52 0.37 -4.88 118.94 118.54 3ine s TRP 251 Ca 0.33 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 3ine s TRP 251 Cb -0.17 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 3ine s TRP 251 CO 0.16 -0.02 -0.03 0.71 0.02 0.00 0.00 176.95 177.78 3ine s TYR 252 N -0.06 3.05 -0.06 -1.98 1.51 -1.26 -0.22 117.35 118.32 3ine s TYR 252 Ca -0.02 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 3ine s TYR 252 Cb -0.14 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 3ine s TYR 252 CO 0.04 0.21 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.50 3ine s THR 253 N -0.29 3.40 0.45 -0.71 -1.32 -0.12 -3.57 115.64 113.49 3ine s THR 253 Ca 0.05 -0.59 -0.24 0.00 -1.21 0.00 0.00 61.69 59.70 3ine s THR 253 Cb -0.12 -2.37 -0.08 0.00 -1.51 0.00 0.00 72.50 68.42 3ine s THR 253 CO 0.02 0.59 1.27 -2.16 -2.21 0.00 0.00 174.62 172.14 3ine s PRO 254 N -0.70 3.75 -0.35 7.08 0.04 -1.26 -0.55 135.00 143.02 3ine s PRO 254 Ca 0.11 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 3ine s PRO 254 Cb -0.11 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.88 3ine s PRO 254 CO 0.01 -0.64 1.23 0.42 0.04 0.00 0.00 177.00 178.06 3ine s ILE 255 N -1.35 4.21 0.16 0.56 1.01 -0.54 -4.54 121.20 120.71 3ine s ILE 255 Ca 0.62 1.34 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 3ine s ILE 255 Cb -0.36 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 37.83 3ine s ILE 255 CO 0.45 -0.60 1.57 -0.09 0.00 0.00 0.00 174.94 176.27 3ine h ARG 256 N 9.17 0.95 -2.58 2.79 2.43 -0.95 -3.44 114.38 122.75 3ine h ARG 256 Ca -0.24 -0.36 -0.10 0.00 -0.81 0.00 0.00 59.98 58.47 3ine h ARG 256 Cb 1.08 -0.06 -0.23 0.00 -0.42 0.00 0.00 29.97 30.35 3ine h ARG 256 CO 1.06 1.02 -0.14 0.50 -1.51 0.00 0.00 179.97 180.89 3ine s ARG 257 N -4.84 0.59 -1.22 0.20 3.52 -1.26 -5.07 118.95 110.87 3ine s ARG 257 Ca -0.12 0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 55.90 3ine s ARG 257 Cb 0.12 0.29 0.10 0.00 -1.56 0.00 0.00 34.95 33.90 3ine s ARG 257 CO 0.85 -0.09 1.58 -1.21 -0.81 0.00 0.00 175.30 175.63 3ine s GLU 258 N 0.07 3.96 0.00 5.12 2.02 -1.26 -4.12 118.70 124.49 3ine s GLU 258 Ca -0.02 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.91 3ine s GLU 258 Cb -0.03 -5.35 0.00 0.00 0.10 0.00 0.00 34.13 28.85 3ine s GLU 258 CO 0.01 -2.08 0.00 -2.67 0.02 0.00 0.00 175.26 170.54 3ine n TRP 259 N 7.53 0.00 -1.36 1.61 4.27 -1.26 -4.60 117.44 123.63 3ine n TRP 259 Ca 0.42 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.73 3ine n TRP 259 Cb 0.46 0.00 0.23 0.00 -1.36 0.00 0.00 31.31 30.63 3ine n TRP 259 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3ine s TYR 260 N 0.00 0.74 -1.15 -2.67 2.02 -1.26 -1.55 117.35 113.48 3ine s TYR 260 Ca 0.00 0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.93 3ine s TYR 260 Cb 0.00 -3.70 0.13 0.00 -0.40 0.00 0.00 41.96 37.99 3ine s TYR 260 CO 0.00 -3.54 1.44 0.71 -1.57 0.00 0.00 175.55 172.60 3ine s TYR 261 N -3.31 3.15 -0.01 2.71 1.51 -1.26 -4.82 117.35 115.31 3ine s TYR 261 Ca 0.72 -1.72 -0.22 0.00 -1.01 0.00 0.00 57.07 54.84 3ine s TYR 261 Cb -0.07 -4.45 -0.05 0.00 -0.11 0.00 0.00 41.96 37.27 3ine s TYR 261 CO 0.55 -1.57 0.65 -2.00 -1.11 0.00 0.00 175.55 172.07 3ine s GLU 262 N 2.80 4.39 0.33 -0.62 2.12 -1.26 -1.66 118.70 124.80 3ine s GLU 262 Ca 0.44 0.83 0.03 0.00 0.36 0.00 0.00 54.97 56.63 3ine s GLU 262 Cb -0.01 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3ine s GLU 262 CO -0.01 0.28 0.12 0.14 -0.54 0.00 0.00 175.26 175.25 3ine s VAL 263 N 0.08 0.60 -0.14 3.70 -7.23 0.16 -0.26 120.40 117.31 3ine s VAL 263 Ca 0.34 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3ine s VAL 263 Cb -0.19 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.23 3ine s VAL 263 CO 0.18 0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.13 3ine s ILE 264 N -3.45 2.16 -0.24 -0.62 -1.09 -1.26 -3.97 121.20 112.73 3ine s ILE 264 Ca 0.33 -0.95 -0.14 0.00 -2.23 0.00 0.00 60.65 57.66 3ine s ILE 264 Cb 0.05 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 3ine s ILE 264 CO 0.16 0.55 0.31 -0.63 -1.23 0.00 0.00 174.94 174.09 3ine s ILE 265 N 0.76 5.24 -0.68 2.92 1.01 -1.26 -0.66 121.20 128.53 3ine s ILE 265 Ca -0.08 0.48 0.21 0.00 0.00 0.00 0.00 60.65 61.26 3ine s ILE 265 Cb -0.16 -3.64 -0.26 0.00 0.01 0.00 0.00 42.46 38.41 3ine s ILE 265 CO -0.00 0.25 0.77 1.33 0.00 0.00 0.00 174.94 177.28 3ine n VAL 266 N 4.63 0.00 -3.59 2.92 0.24 0.58 -4.71 118.33 118.41 3ine n VAL 266 Ca -0.11 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 3ine n VAL 266 Cb 0.51 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.50 3ine n VAL 266 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3ine s ARG 267 N -3.17 0.45 -0.07 7.34 3.52 -1.21 -4.74 118.95 121.06 3ine s ARG 267 Ca 0.03 0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 3ine s ARG 267 Cb 0.15 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.78 3ine s ARG 267 CO 0.88 -0.15 0.18 0.54 -0.81 0.00 0.00 175.30 175.93 3ine s VAL 268 N -1.46 -0.02 0.11 7.11 0.11 -1.26 -0.43 120.40 124.56 3ine s VAL 268 Ca 0.03 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.25 3ine s VAL 268 Cb -0.01 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 3ine s VAL 268 CO -0.03 0.03 -0.25 -1.61 -3.33 0.00 0.00 175.10 169.91 3ine s GLU 269 N 0.59 1.39 -0.15 1.54 2.02 -0.57 -1.68 118.70 121.85 3ine s GLU 269 Ca -0.04 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.71 3ine s GLU 269 Cb -0.06 -1.78 0.01 0.00 0.10 0.00 0.00 34.13 32.40 3ine s GLU 269 CO -0.03 0.43 -0.22 0.42 0.02 0.00 0.00 175.26 175.88 3ine s ILE 270 N -1.04 2.06 -1.54 -1.63 -1.09 0.15 -0.95 121.20 117.17 3ine s ILE 270 Ca 0.12 -0.97 -0.00 0.00 -2.23 0.00 0.00 60.65 57.56 3ine s ILE 270 Cb -0.10 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3ine s ILE 270 CO 0.05 0.55 0.01 0.59 -1.23 0.00 0.00 174.94 174.90 3ine n ASN 271 N 4.16 0.93 0.00 3.58 4.13 -0.07 0.11 115.26 128.11 3ine n ASN 271 Ca -0.20 -1.27 0.00 0.00 1.68 0.00 0.00 54.58 54.79 3ine n ASN 271 Cb 0.51 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.17 3ine n ASN 271 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ine n GLY 272 N -2.56 2.86 3.58 7.41 0.00 -1.26 -4.97 105.19 110.25 3ine n GLY 272 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3ine n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ine s GLN 273 N 0.00 3.68 0.13 1.61 2.00 0.12 -4.98 119.66 122.22 3ine s GLN 273 Ca 0.00 0.18 -0.31 0.00 -2.00 0.00 0.00 55.36 53.23 3ine s GLN 273 Cb 0.00 -3.83 -0.09 0.00 0.80 0.00 0.00 33.01 29.89 3ine s GLN 273 CO 0.00 -0.85 1.62 0.34 -0.50 0.00 0.00 175.29 175.90 3ine s ASP 274 N 1.86 6.57 0.12 6.67 3.68 -1.26 -0.67 116.67 133.64 3ine s ASP 274 Ca 0.29 2.59 0.15 0.00 2.13 0.00 0.00 52.55 57.71 3ine s ASP 274 Cb -0.13 -2.58 0.66 0.00 -1.45 0.00 0.00 42.92 39.42 3ine s ASP 274 CO 0.17 -0.86 1.45 0.18 0.13 0.00 0.00 175.17 176.24 3ine n LEU 275 N 4.67 0.27 -3.81 -1.34 4.77 -0.68 -4.89 117.00 115.99 3ine n LEU 275 Ca 0.15 0.59 -0.26 0.00 -0.03 0.00 0.00 56.01 56.46 3ine n LEU 275 Cb 0.39 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3ine n LEU 275 CO 0.62 -0.50 0.01 0.29 -1.33 0.00 0.00 177.39 176.48 3ine n LYS 276 N -1.82 -5.17 -4.14 3.23 5.02 -1.26 -4.99 118.16 109.03 3ine n LYS 276 Ca 0.02 0.60 -0.28 0.00 -2.02 0.00 0.00 58.31 56.63 3ine n LYS 276 Cb 0.12 -5.30 -0.07 0.00 -0.02 0.00 0.00 35.03 29.76 3ine n LYS 276 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3ine s MET 277 N -6.30 2.61 0.00 1.97 -1.94 -1.26 -5.06 119.30 109.32 3ine s MET 277 Ca 0.31 -0.94 -0.34 0.00 -1.71 0.00 0.00 55.69 53.01 3ine s MET 277 Cb -0.16 -2.51 -0.12 0.00 2.01 0.00 0.00 34.83 34.05 3ine s MET 277 CO 0.82 0.49 1.79 -3.47 -0.01 0.00 0.00 175.02 174.65 3ine n ASP 278 N 0.05 3.41 0.16 3.03 -0.08 -1.26 -4.83 116.55 117.04 3ine n ASP 278 Ca -0.10 1.00 0.12 0.00 -1.51 0.00 0.00 54.79 54.30 3ine n ASP 278 Cb 0.54 -1.40 0.59 0.00 2.34 0.00 0.00 41.12 43.18 3ine n ASP 278 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ine h LYS 280 N 0.00 0.00 0.00 0.00 1.57 -1.81 -1.92 116.57 114.41 3ine h LYS 280 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3ine h LYS 280 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3ine h LYS 280 CO 0.00 0.09 -0.24 0.93 -0.57 0.00 0.00 179.45 179.66 3ine h GLU 281 N 0.00 0.00 0.00 3.15 4.39 -1.19 -2.63 114.58 118.30 3ine h GLU 281 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3ine h GLU 281 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3ine h GLU 281 CO 0.01 0.24 -0.06 1.88 -1.16 0.00 0.00 179.01 179.93 3ine h TYR 282 N 0.00 0.00 -0.35 4.33 0.05 -1.50 -3.24 116.97 116.26 3ine h TYR 282 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 3ine h TYR 282 Cb 0.65 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.13 3ine h TYR 282 CO 0.00 0.06 -0.76 0.09 -1.05 0.00 0.00 178.16 176.49 3ine n ASN 283 N -3.14 2.91 -4.30 3.88 3.02 -1.01 -4.38 115.26 112.24 3ine n ASN 283 Ca 0.02 -3.41 -0.40 0.00 -0.03 0.00 0.00 54.58 50.76 3ine n ASN 283 Cb 0.44 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 3ine n ASN 283 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ine s TYR 284 N -3.10 3.29 -2.58 3.10 5.04 -1.09 -0.54 117.35 121.47 3ine s TYR 284 Ca 0.41 -1.33 0.24 0.00 -2.44 0.00 0.00 57.07 53.95 3ine s TYR 284 Cb 0.38 -2.64 0.39 0.00 0.35 0.00 0.00 41.96 40.44 3ine s TYR 284 CO -0.03 -0.76 1.38 -0.40 -1.34 0.00 0.00 175.55 174.40 3ine n ASP 285 N 4.92 3.38 -3.56 4.32 5.75 -1.26 -3.58 116.55 126.51 3ine n ASP 285 Ca -0.11 -1.99 -0.06 0.00 -0.01 0.00 0.00 54.79 52.62 3ine n ASP 285 Cb 0.44 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 3ine n ASP 285 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3ine s LYS 286 N -1.59 0.60 -0.08 0.11 -2.85 0.30 -4.67 119.74 111.56 3ine s LYS 286 Ca 0.37 -0.24 0.04 0.00 -1.00 0.00 0.00 55.97 55.14 3ine s LYS 286 Cb 0.22 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3ine s LYS 286 CO 0.32 -0.27 -0.20 -1.12 0.10 0.00 0.00 175.35 174.18 3ine s SER 287 N -2.41 2.59 0.10 0.03 0.01 -1.25 -0.48 113.70 112.28 3ine s SER 287 Ca 0.08 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.92 3ine s SER 287 Cb -0.01 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 3ine s SER 287 CO -0.06 0.12 -0.10 0.27 0.41 0.00 0.00 173.24 173.88 3ine s ILE 288 N 0.38 0.92 -0.27 1.44 -4.36 -0.89 -0.67 121.20 117.76 3ine s ILE 288 Ca -0.15 -1.67 -0.09 0.00 -0.26 0.00 0.00 60.65 58.48 3ine s ILE 288 Cb -0.16 -1.39 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 3ine s ILE 288 CO 0.06 -0.59 0.14 -0.69 0.24 0.00 0.00 174.94 174.10 3ine s VAL 289 N -2.55 4.87 -0.30 8.37 1.01 -0.67 -0.96 120.40 130.17 3ine s VAL 289 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3ine s VAL 289 Cb -0.02 -3.30 0.11 0.00 0.00 0.00 0.00 36.38 33.16 3ine s VAL 289 CO -0.00 0.29 0.14 -0.62 0.00 0.00 0.00 175.10 174.90 3ine s ASP 290 N 1.68 3.55 0.60 3.32 2.15 -0.53 -4.51 116.67 122.94 3ine s ASP 290 Ca 0.07 -1.46 0.35 0.00 0.43 0.00 0.00 52.55 51.94 3ine s ASP 290 Cb -0.16 -0.44 1.96 0.00 -0.30 0.00 0.00 42.92 43.98 3ine s ASP 290 CO 0.08 -0.42 2.25 0.77 -0.17 0.00 0.00 175.17 177.68 3ine h SER 291 N 8.18 0.00 -0.12 -0.34 4.64 -1.84 -1.98 113.55 122.09 3ine h SER 291 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ine h SER 291 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3ine h SER 291 CO 0.43 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 3ine n GLY 292 N -1.03 -0.23 3.35 -0.77 0.00 -1.26 -4.49 105.19 100.77 3ine n GLY 292 Ca -0.03 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3ine n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ine s THR 293 N -1.84 2.72 -0.02 2.61 2.01 -0.74 -5.02 115.64 115.36 3ine s THR 293 Ca 0.25 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 3ine s THR 293 Cb 0.13 -2.09 -0.22 0.00 0.01 0.00 0.00 72.50 70.33 3ine s THR 293 CO 0.19 0.55 1.12 0.74 -0.69 0.00 0.00 174.62 176.53 3ine h THR 294 N 5.18 1.47 -3.70 -0.82 2.02 -1.84 0.43 112.91 115.65 3ine h THR 294 Ca -0.30 -1.85 -0.49 0.00 0.77 0.00 0.00 66.41 64.54 3ine h THR 294 Cb 1.20 2.53 0.04 0.00 -1.74 0.00 0.00 68.15 70.18 3ine h THR 294 CO 0.52 0.52 0.16 0.20 0.37 0.00 0.00 175.52 177.29 3ine s ASN 295 N -6.39 6.22 -0.32 4.18 0.01 -1.26 -1.40 114.94 115.98 3ine s ASN 295 Ca -0.15 1.00 -0.29 0.00 -0.71 0.00 0.00 52.86 52.71 3ine s ASN 295 Cb 0.03 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.44 3ine s ASN 295 CO 0.77 -0.65 1.23 -0.22 -1.51 0.00 0.00 177.10 176.71 3ine s LEU 296 N -4.83 3.87 -0.13 0.60 2.96 -0.70 -2.65 118.68 117.79 3ine s LEU 296 Ca 0.49 1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 55.46 3ine s LEU 296 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3ine s LEU 296 CO 0.46 -1.05 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.27 3ine s ARG 297 N 4.07 3.46 0.02 1.98 0.52 -0.13 -1.65 118.95 127.23 3ine s ARG 297 Ca 0.53 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 3ine s ARG 297 Cb -0.14 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 3ine s ARG 297 CO 0.22 0.35 -0.18 -0.51 0.02 0.00 0.00 175.30 175.19 3ine s LEU 298 N 0.07 2.12 0.49 2.53 1.43 -0.42 0.14 118.68 125.05 3ine s LEU 298 Ca -0.01 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.45 3ine s LEU 298 Cb -0.14 -0.87 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 3ine s LEU 298 CO 0.03 0.15 0.69 -2.65 0.23 0.00 0.00 176.35 174.80 3ine n PRO 299 N 2.14 0.76 -0.27 1.29 -0.02 -1.26 -0.12 135.00 137.51 3ine n PRO 299 Ca -0.16 0.28 0.03 0.00 -2.02 0.00 0.00 63.50 61.63 3ine n PRO 299 Cb 0.54 -1.76 0.12 0.00 -0.02 0.00 0.00 33.50 32.37 3ine n PRO 299 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3ine h LYS 300 N 0.74 0.02 -0.35 -0.52 3.64 -1.90 0.36 116.57 118.55 3ine h LYS 300 Ca -0.44 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.83 3ine h LYS 300 Cb 1.38 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 3ine h LYS 300 CO 0.51 0.01 -0.25 -0.22 -2.27 0.00 0.00 179.45 177.23 3ine h LYS 301 N 0.02 0.70 -0.11 1.90 3.64 -1.93 -2.05 116.57 118.73 3ine h LYS 301 Ca 0.39 -0.29 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 3ine h LYS 301 Cb 0.63 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3ine h LYS 301 CO -0.78 0.88 -0.74 0.28 -2.27 0.00 0.00 179.45 176.82 3ine h VAL 302 N 0.61 1.31 -0.02 2.00 2.07 -1.31 -2.84 116.25 118.07 3ine h VAL 302 Ca 0.08 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 65.65 3ine h VAL 302 Cb 0.74 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3ine h VAL 302 CO 0.06 0.62 -0.22 0.15 0.02 0.00 0.00 177.57 178.20 3ine h PHE 303 N 0.38 -0.57 -1.00 1.57 3.04 -0.28 0.12 116.94 120.21 3ine h PHE 303 Ca -0.06 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.94 3ine h PHE 303 Cb 1.38 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 40.09 3ine h PHE 303 CO 0.10 -0.30 0.65 0.93 -2.02 0.00 0.00 178.31 177.67 3ine h GLU 304 N -0.33 1.24 -0.35 1.11 5.08 -1.42 0.69 114.58 120.60 3ine h GLU 304 Ca 0.06 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3ine h GLU 304 Cb 0.42 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ine h GLU 304 CO -0.21 0.82 -0.32 0.00 -1.00 0.00 0.00 179.01 178.31 3ine h ALA 305 N 1.41 0.78 -0.05 3.43 0.00 -1.22 -1.96 119.26 121.64 3ine h ALA 305 Ca 0.39 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ine h ALA 305 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ine h ALA 305 CO -0.11 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.80 3ine h ALA 306 N 0.99 0.07 -0.47 0.00 0.00 0.32 -2.61 119.26 117.55 3ine h ALA 306 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ine h ALA 306 Cb 0.85 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3ine h ALA 306 CO 0.07 -0.30 0.25 0.28 0.00 0.00 0.00 179.25 179.56 3ine h VAL 307 N -0.15 1.17 -0.32 0.00 2.07 -0.89 -0.60 116.25 117.53 3ine h VAL 307 Ca 0.02 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.16 3ine h VAL 307 Cb 0.26 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 3ine h VAL 307 CO 0.00 0.18 -0.19 0.50 0.02 0.00 0.00 177.57 178.08 3ine h LYS 308 N 0.62 -0.15 -0.57 1.57 3.64 -1.35 0.62 116.57 120.95 3ine h LYS 308 Ca 0.17 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3ine h LYS 308 Cb 0.06 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3ine h LYS 308 CO -0.03 -0.10 0.09 1.03 -2.27 0.00 0.00 179.45 178.18 3ine h SER 309 N -0.15 0.87 0.06 4.20 0.87 -1.15 -1.84 113.55 116.41 3ine h SER 309 Ca 0.17 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.36 3ine h SER 309 Cb 0.41 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3ine h SER 309 CO -0.42 0.88 -0.66 0.40 -0.53 0.00 0.00 176.83 176.50 3ine h ILE 310 N 0.87 1.33 -0.30 2.23 2.04 -0.27 -2.19 117.51 121.22 3ine h ILE 310 Ca 0.18 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3ine h ILE 310 Cb 0.39 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3ine h ILE 310 CO 0.01 0.60 0.19 0.11 0.00 0.00 0.00 178.15 179.06 3ine h LYS 311 N 0.41 0.40 0.01 2.37 1.57 0.46 -2.22 116.57 119.57 3ine h LYS 311 Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ine h LYS 311 Cb 1.24 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3ine h LYS 311 CO 0.12 0.29 -0.00 0.00 -0.57 0.00 0.00 179.45 179.29 3ine h ALA 312 N 1.09 -0.01 -0.94 3.86 0.00 -1.28 -1.42 119.26 120.55 3ine h ALA 312 Ca 0.11 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ine h ALA 312 Cb -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3ine h ALA 312 CO -0.02 -0.51 0.62 0.00 0.00 0.00 0.00 179.25 179.34 3ine h ALA 313 N 0.98 1.39 -0.53 0.00 0.00 -1.32 -0.59 119.26 119.19 3ine h ALA 313 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ine h ALA 313 Cb 0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.39 3ine h ALA 313 CO 0.00 0.51 0.15 -1.13 0.00 0.00 0.00 179.25 178.78 3ine n SER 314 N -4.44 4.29 -0.21 0.00 3.41 -0.84 -4.59 113.62 111.24 3ine n SER 314 Ca 0.13 -2.86 0.02 0.00 -0.26 0.00 0.00 58.87 55.89 3ine n SER 314 Cb 0.10 -0.68 0.11 0.00 -0.26 0.00 0.00 64.21 63.49 3ine n SER 314 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ine h SER 315 N 2.35 -0.19 0.00 4.04 4.64 0.03 -3.20 113.55 121.22 3ine h SER 315 Ca 0.14 0.14 -0.49 0.00 -0.47 0.00 0.00 61.79 61.12 3ine h SER 315 Cb 1.86 0.24 0.08 0.00 -0.31 0.00 0.00 62.40 64.27 3ine h SER 315 CO 0.51 -0.08 1.74 0.35 -0.87 0.00 0.00 176.83 178.48 3ine n THR 316 N -5.24 0.84 0.00 2.95 -2.24 -1.26 -3.85 114.28 105.48 3ine n THR 316 Ca 0.10 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3ine n THR 316 Cb 0.36 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 3ine n THR 316 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3ine n GLU 317 N 6.77 0.00 -3.96 -0.78 4.07 -1.21 -5.08 120.64 120.45 3ine n GLU 317 Ca 0.40 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 57.15 3ine n GLU 317 Cb 0.31 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.64 3ine n GLU 317 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3ine s LYS 318 N -0.60 3.34 0.27 5.31 -0.14 -1.25 -4.92 119.74 121.75 3ine s LYS 318 Ca 0.00 -0.30 0.09 0.00 -1.36 0.00 0.00 55.97 54.40 3ine s LYS 318 Cb 0.00 -3.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 3ine s LYS 318 CO 0.00 0.70 -0.13 -0.06 -0.76 0.00 0.00 175.35 175.11 3ine s PHE 319 N -1.19 2.05 0.58 3.18 0.40 -1.26 -5.14 117.98 116.60 3ine s PHE 319 Ca 0.22 -0.53 -0.18 0.00 -0.60 0.00 0.00 56.93 55.84 3ine s PHE 319 Cb -0.12 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 3ine s PHE 319 CO 0.13 0.47 1.10 -2.14 0.70 0.00 0.00 175.22 175.48 3ine s PRO 320 N -3.63 3.24 0.40 0.24 0.02 -1.26 -4.93 135.00 129.09 3ine s PRO 320 Ca 0.28 1.46 0.09 0.00 0.02 0.00 0.00 61.00 62.85 3ine s PRO 320 Cb -0.00 -2.00 0.84 0.00 0.02 0.00 0.00 34.50 33.35 3ine s PRO 320 CO 0.12 -0.91 1.97 -0.44 -0.33 0.00 0.00 177.00 177.42 3ine h ASP 321 N 0.80 0.29 -0.24 2.53 3.32 -2.00 -1.48 116.42 119.63 3ine h ASP 321 Ca -0.49 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.60 3ine h ASP 321 Cb 1.25 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3ine h ASP 321 CO 0.56 0.35 0.18 1.23 -1.72 0.00 0.00 179.24 179.84 3ine h GLY 322 N 0.61 0.00 0.69 2.75 0.00 -1.93 -0.16 103.07 105.03 3ine h GLY 322 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3ine h GLY 322 CO 0.00 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.68 3ine h PHE 323 N 0.00 0.33 0.00 5.60 3.57 -1.41 0.23 116.94 125.26 3ine h PHE 323 Ca 0.11 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3ine h PHE 323 Cb 0.46 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3ine h PHE 323 CO 0.00 0.69 -0.07 -1.49 -2.23 0.00 0.00 178.31 175.20 3ine h TRP 324 N -0.12 0.00 -0.12 0.41 4.06 -1.14 -0.74 115.95 118.30 3ine h TRP 324 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3ine h TRP 324 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 3ine h TRP 324 CO 0.09 0.07 0.00 1.28 -3.56 0.00 0.00 178.44 176.32 3ine n LEU 325 N -3.32 1.25 -0.33 -4.49 4.77 -0.22 -4.89 117.00 109.76 3ine n LEU 325 Ca -0.01 -0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 55.41 3ine n LEU 325 Cb 0.25 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3ine n LEU 325 CO 0.28 0.26 -0.04 0.61 -1.33 0.00 0.00 177.39 177.17 3ine n GLY 326 N 1.04 0.66 0.00 -0.72 0.00 -0.28 -4.92 105.19 100.98 3ine n GLY 326 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3ine n GLY 326 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ine n GLU 327 N -1.97 0.00 -1.85 1.61 1.02 0.60 -4.83 120.64 115.22 3ine n GLU 327 Ca -0.04 0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 3ine n GLU 327 Cb 0.26 -0.45 0.04 0.00 -0.02 0.00 0.00 31.44 31.26 3ine n GLU 327 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3ine s GLN 328 N -0.49 2.88 0.17 3.49 0.74 0.03 -4.90 119.66 121.57 3ine s GLN 328 Ca 0.00 1.48 0.05 0.00 0.05 0.00 0.00 55.36 56.94 3ine s GLN 328 Cb 0.00 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.12 3ine s GLN 328 CO 0.00 -1.20 0.17 -0.48 -0.55 0.00 0.00 175.29 173.22 3ine s LEU 329 N -4.63 3.90 -0.05 3.68 0.05 -1.26 -4.09 118.68 116.27 3ine s LEU 329 Ca 0.69 -0.09 0.06 0.00 0.05 0.00 0.00 54.13 54.84 3ine s LEU 329 Cb -0.22 -2.49 -0.02 0.00 -2.05 0.00 0.00 46.19 41.41 3ine s LEU 329 CO 0.38 0.06 -0.22 0.54 -0.55 0.00 0.00 176.35 176.56 3ine s VAL 330 N -1.77 2.32 0.00 1.48 0.11 -0.05 -4.92 120.40 117.56 3ine s VAL 330 Ca 0.32 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 3ine s VAL 330 Cb -0.10 -1.86 -0.01 0.00 -1.53 0.00 0.00 36.38 32.88 3ine s VAL 330 CO 0.24 0.57 -0.15 0.00 -3.33 0.00 0.00 175.10 172.44 3ine n TRP 332 N 2.54 0.00 -3.77 0.00 8.01 -1.26 -4.97 117.44 118.00 3ine n TRP 332 Ca -0.15 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 55.86 3ine n TRP 332 Cb 0.55 0.00 -0.17 0.00 -2.01 0.00 0.00 31.31 29.68 3ine n TRP 332 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3ine s GLN 333 N 0.32 0.08 -0.34 -0.99 -0.21 -1.26 -4.51 119.66 112.76 3ine s GLN 333 Ca 0.00 0.23 -0.24 0.00 0.02 0.00 0.00 55.36 55.36 3ine s GLN 333 Cb 0.00 -0.46 0.04 0.00 1.00 0.00 0.00 33.01 33.58 3ine s GLN 333 CO 0.00 -0.23 0.47 0.00 -2.12 0.00 0.00 175.29 173.40 3ine n ALA 334 N 4.67 -2.44 -2.50 6.09 0.00 -1.26 -3.07 120.51 122.01 3ine n ALA 334 Ca -0.17 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 3ine n ALA 334 Cb 0.50 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 17.89 3ine n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ine n GLY 335 N 0.17 -0.50 0.23 0.00 0.00 -1.26 -4.83 105.19 99.00 3ine n GLY 335 Ca -0.03 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3ine n GLY 335 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ine n THR 336 N -3.94 0.00 -1.67 2.61 -2.24 -1.17 -4.99 114.28 102.87 3ine n THR 336 Ca -0.21 -0.16 -0.51 0.00 -2.27 0.00 0.00 64.05 60.90 3ine n THR 336 Cb 0.66 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.95 3ine n THR 336 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ine n THR 337 N -0.77 0.28 -1.77 4.28 -1.04 -1.26 -4.85 114.28 109.15 3ine n THR 337 Ca 0.06 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 3ine n THR 337 Cb 0.37 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.45 3ine n THR 337 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ine n PRO 338 N 4.90 3.51 -0.24 -2.82 -0.04 -1.26 -4.77 135.00 134.28 3ine n PRO 338 Ca 0.22 -2.80 0.19 0.00 -0.04 0.00 0.00 63.50 61.07 3ine n PRO 338 Cb 0.22 -2.98 0.51 0.00 -0.04 0.00 0.00 33.50 31.22 3ine n PRO 338 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ine h TRP 339 N 5.45 0.53 0.00 0.54 4.06 -1.95 -1.35 115.95 123.23 3ine h TRP 339 Ca 0.64 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.61 3ine h TRP 339 Cb 0.48 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3ine h TRP 339 CO 1.56 0.15 0.00 -0.91 -3.56 0.00 0.00 178.44 175.68 3ine h ASN 340 N 0.40 0.00 0.89 -3.49 2.35 -2.01 -1.70 115.58 112.03 3ine h ASN 340 Ca 0.46 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.11 3ine h ASN 340 Cb 1.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3ine h ASN 340 CO -0.17 0.00 -0.49 0.40 -1.65 0.00 0.00 177.43 175.52 3ine h ILE 341 N 0.00 1.05 -3.17 2.81 2.04 -1.60 -3.44 117.51 115.21 3ine h ILE 341 Ca 0.00 -1.87 -0.60 0.00 1.00 0.00 0.00 64.86 63.40 3ine h ILE 341 Cb 0.21 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 3ine h ILE 341 CO 0.00 0.48 -0.24 -0.36 0.00 0.00 0.00 178.15 178.02 3ine s PHE 342 N -3.46 3.57 0.69 1.37 0.08 -0.64 -3.20 117.98 116.39 3ine s PHE 342 Ca 0.00 0.80 -0.11 0.00 0.12 0.00 0.00 56.93 57.74 3ine s PHE 342 Cb 0.11 -2.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3ine s PHE 342 CO 0.72 0.38 1.06 -1.25 -0.10 0.00 0.00 175.22 176.03 3ine s PRO 343 N -0.08 2.93 0.48 0.24 0.04 -1.26 -4.74 135.00 132.61 3ine s PRO 343 Ca 0.21 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 3ine s PRO 343 Cb -0.15 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3ine s PRO 343 CO 0.09 -1.10 0.83 0.14 0.04 0.00 0.00 177.00 176.99 3ine s VAL 344 N -2.97 4.83 -0.14 -0.36 -7.23 -1.26 -4.40 120.40 108.86 3ine s VAL 344 Ca 0.59 0.46 0.02 0.00 -1.81 0.00 0.00 61.98 61.23 3ine s VAL 344 Cb -0.14 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 32.99 3ine s VAL 344 CO 0.53 -0.80 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.71 3ine s ILE 345 N -2.70 1.84 -0.22 -0.62 1.01 -0.61 -0.89 121.20 119.01 3ine s ILE 345 Ca 0.50 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 3ine s ILE 345 Cb -0.10 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3ine s ILE 345 CO 0.42 0.50 0.02 -0.44 0.00 0.00 0.00 174.94 175.45 3ine s SER 346 N 1.10 4.90 -0.26 3.58 0.01 -0.12 -0.39 113.70 122.52 3ine s SER 346 Ca -0.02 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 3ine s SER 346 Cb -0.14 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 3ine s SER 346 CO -0.06 0.02 0.11 -0.76 0.41 0.00 0.00 173.24 172.96 3ine s LEU 347 N 1.28 3.66 -0.20 2.44 1.02 0.75 -1.51 118.68 126.12 3ine s LEU 347 Ca 0.04 -0.16 -0.17 0.00 0.02 0.00 0.00 54.13 53.87 3ine s LEU 347 Cb -0.15 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 3ine s LEU 347 CO 0.02 -0.05 0.45 -0.31 0.02 0.00 0.00 176.35 176.48 3ine s TYR 348 N 1.66 3.38 0.01 0.29 1.51 0.43 -0.64 117.35 123.99 3ine s TYR 348 Ca 0.07 0.68 0.03 0.00 -1.01 0.00 0.00 57.07 56.83 3ine s TYR 348 Cb -0.15 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 3ine s TYR 348 CO 0.06 -0.04 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.93 3ine s LEU 349 N 1.41 3.39 0.28 -1.29 1.43 0.32 -0.31 118.68 123.91 3ine s LEU 349 Ca 0.21 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 3ine s LEU 349 Cb -0.15 -1.97 -0.13 0.00 0.03 0.00 0.00 46.19 43.96 3ine s LEU 349 CO 0.09 0.26 1.32 0.80 0.23 0.00 0.00 176.35 179.05 3ine n MET 350 N 1.32 1.97 -2.05 1.70 0.00 0.16 -2.35 117.12 117.87 3ine n MET 350 Ca -0.14 0.70 -0.20 0.00 -0.00 0.00 0.00 57.70 58.05 3ine n MET 350 Cb 0.53 -2.29 0.12 0.00 0.00 0.00 0.00 33.22 31.57 3ine n MET 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ine n GLY 351 N 1.55 0.09 0.09 -5.12 0.00 0.24 -4.09 105.19 97.96 3ine n GLY 351 Ca 0.09 -1.93 0.12 0.00 0.00 0.00 0.00 46.02 44.30 3ine n GLY 351 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ine n GLU 352 N -2.75 0.18 -3.95 1.61 1.02 -1.23 -4.52 120.64 111.00 3ine n GLU 352 Ca 0.14 0.27 -0.35 0.00 -0.02 0.00 0.00 57.16 57.20 3ine n GLU 352 Cb 0.49 -1.76 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 3ine n GLU 352 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ine s VAL 353 N -3.16 3.34 0.00 2.62 1.01 -1.26 -5.06 120.40 117.89 3ine s VAL 353 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3ine s VAL 353 Cb 0.12 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3ine s VAL 353 CO 0.47 0.43 0.00 0.41 0.00 0.00 0.00 175.10 176.42 3ine n THR 354 N 4.73 0.00 -0.18 3.92 -1.04 -1.26 0.14 114.28 120.58 3ine n THR 354 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3ine n THR 354 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3ine n THR 354 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3ine n ASN 355 N 0.00 4.54 -3.99 8.00 0.23 -1.26 -4.54 115.26 118.23 3ine n ASN 355 Ca 0.00 -2.22 -0.21 0.00 -0.53 0.00 0.00 54.58 51.62 3ine n ASN 355 Cb 0.00 -0.93 -0.16 0.00 -2.08 0.00 0.00 39.78 36.61 3ine n ASN 355 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 3ine s GLN 356 N 0.12 1.00 0.32 -3.83 0.74 0.12 -1.44 119.66 116.69 3ine s GLN 356 Ca 0.00 -0.29 0.05 0.00 0.05 0.00 0.00 55.36 55.18 3ine s GLN 356 Cb 0.00 -0.92 -0.03 0.00 1.10 0.00 0.00 33.01 33.15 3ine s GLN 356 CO 0.00 0.08 0.23 -1.54 -0.55 0.00 0.00 175.29 173.51 3ine s SER 357 N 0.32 1.58 0.07 6.67 1.04 0.15 0.81 113.70 124.35 3ine s SER 357 Ca -0.05 -1.69 -0.05 0.00 0.48 0.00 0.00 55.95 54.64 3ine s SER 357 Cb -0.10 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3ine s SER 357 CO 0.01 -1.01 0.09 0.72 0.98 0.00 0.00 173.24 174.04 3ine s PHE 358 N -3.53 0.33 0.11 5.02 -0.12 -0.99 0.31 117.98 119.11 3ine s PHE 358 Ca 0.38 -0.81 0.09 0.00 -0.05 0.00 0.00 56.93 56.54 3ine s PHE 358 Cb 0.03 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 3ine s PHE 358 CO 0.23 -0.48 -0.17 -0.98 -0.05 0.00 0.00 175.22 173.77 3ine s ARG 359 N -3.89 1.85 -0.13 1.99 1.70 0.60 -0.52 118.95 120.54 3ine s ARG 359 Ca 0.06 -1.14 -0.01 0.00 -0.47 0.00 0.00 55.73 54.17 3ine s ARG 359 Cb 0.06 -2.14 -0.02 0.00 -0.57 0.00 0.00 34.95 32.28 3ine s ARG 359 CO -0.10 0.49 -0.10 0.96 -1.08 0.00 0.00 175.30 175.47 3ine s ILE 360 N -1.12 3.35 -0.20 4.99 -4.36 0.18 -1.21 121.20 122.83 3ine s ILE 360 Ca 0.18 -0.56 -0.02 0.00 -0.26 0.00 0.00 60.65 59.99 3ine s ILE 360 Cb -0.11 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.18 3ine s ILE 360 CO 0.10 0.52 -0.10 -0.89 0.24 0.00 0.00 174.94 174.80 3ine s THR 361 N 0.29 2.91 0.10 8.37 2.01 0.11 -0.18 115.64 129.25 3ine s THR 361 Ca -0.08 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.32 3ine s THR 361 Cb -0.15 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3ine s THR 361 CO 0.05 0.47 -0.01 0.27 -0.69 0.00 0.00 174.62 174.70 3ine s ILE 362 N 1.30 3.91 0.38 1.82 -4.36 0.48 -1.75 121.20 122.98 3ine s ILE 362 Ca 0.04 -1.06 0.05 0.00 -0.26 0.00 0.00 60.65 59.42 3ine s ILE 362 Cb -0.14 -2.87 -0.00 0.00 1.25 0.00 0.00 42.46 40.70 3ine s ILE 362 CO -0.05 0.10 0.54 -0.76 0.24 0.00 0.00 174.94 175.00 3ine s LEU 363 N -2.34 3.84 0.62 0.37 1.43 -1.26 -1.57 118.68 119.76 3ine s LEU 363 Ca 0.25 -0.10 0.34 0.00 -1.03 0.00 0.00 54.13 53.60 3ine s LEU 363 Cb -0.11 -2.84 1.97 0.00 0.03 0.00 0.00 46.19 45.24 3ine s LEU 363 CO 0.18 -0.55 2.25 -0.65 0.23 0.00 0.00 176.35 177.81 3ine h PRO 364 N 0.72 0.00 0.00 1.29 0.11 -1.85 -0.44 132.00 131.83 3ine h PRO 364 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3ine h PRO 364 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3ine h PRO 364 CO 0.53 0.00 -0.17 1.96 -0.21 0.00 0.00 178.00 180.11 3ine h GLN 365 N 0.00 0.00 0.18 1.05 7.50 -1.91 -0.05 115.11 121.88 3ine h GLN 365 Ca 0.01 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.81 3ine h GLN 365 Cb 0.12 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.65 3ine h GLN 365 CO -0.00 0.17 -1.76 1.96 -1.50 0.00 0.00 178.83 177.70 3ine h GLN 366 N 0.00 0.38 -0.05 1.46 4.20 -1.39 -3.38 115.11 116.34 3ine h GLN 366 Ca -0.00 -0.65 0.00 0.00 0.06 0.00 0.00 58.65 58.06 3ine h GLN 366 Cb 0.45 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3ine h GLN 366 CO 0.02 1.30 0.00 2.48 -0.67 0.00 0.00 178.83 181.97 3ine n TYR 367 N -3.58 0.03 -3.72 2.96 0.18 -1.14 -4.55 117.16 107.34 3ine n TYR 367 Ca -0.25 -0.01 -0.38 0.00 1.88 0.00 0.00 57.90 59.14 3ine n TYR 367 Cb 1.07 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.93 3ine n TYR 367 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3ine s LEU 368 N -1.97 5.28 -0.03 -3.48 1.43 -0.04 0.40 118.68 120.26 3ine s LEU 368 Ca 0.30 -1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.37 3ine s LEU 368 Cb 0.20 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3ine s LEU 368 CO 0.31 -0.56 0.30 0.00 0.23 0.00 0.00 176.35 176.62 3ine s ARG 369 N 1.22 3.71 0.52 1.70 1.70 -0.58 -4.75 118.95 122.47 3ine s ARG 369 Ca 0.07 0.16 -0.19 0.00 -0.47 0.00 0.00 55.73 55.29 3ine s ARG 369 Cb -0.23 -3.18 -0.07 0.00 -0.57 0.00 0.00 34.95 30.90 3ine s ARG 369 CO -0.03 0.71 1.06 -1.25 -1.08 0.00 0.00 175.30 174.71 3ine s PRO 370 N -1.19 3.62 0.00 3.89 0.04 -1.26 -0.30 135.00 139.80 3ine s PRO 370 Ca 0.22 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3ine s PRO 370 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3ine s PRO 370 CO 0.11 -0.58 0.00 0.00 0.04 0.00 0.00 177.00 176.57 3ine s TYR 382 N -1.47 1.40 0.06 0.00 2.02 0.10 -4.94 117.35 114.52 3ine s TYR 382 Ca 0.00 -0.65 0.10 0.00 -0.37 0.00 0.00 57.07 56.15 3ine s TYR 382 Cb 0.00 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 3ine s TYR 382 CO 0.00 0.16 -0.26 0.15 -1.57 0.00 0.00 175.55 174.03 3ine s LYS 383 N -3.33 1.73 -0.41 -0.62 1.02 0.59 -0.88 119.74 117.84 3ine s LYS 383 Ca 0.15 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 3ine s LYS 383 Cb -0.01 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 3ine s LYS 383 CO 0.03 0.50 1.71 0.12 -0.92 0.00 0.00 175.35 176.79 3ine s PHE 384 N -0.87 1.92 -0.28 3.18 5.36 -1.26 -1.52 117.98 124.52 3ine s PHE 384 Ca 0.12 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 56.78 3ine s PHE 384 Cb -0.10 -4.17 0.32 0.00 -0.34 0.00 0.00 43.02 38.73 3ine s PHE 384 CO 0.03 -2.59 1.37 0.00 -1.46 0.00 0.00 175.22 172.57 3ine n ALA 385 N 10.40 3.81 -3.34 11.12 0.00 0.16 -4.47 120.51 138.19 3ine n ALA 385 Ca 0.21 -1.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.06 3ine n ALA 385 Cb 0.48 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.59 3ine n ALA 385 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ine s ILE 386 N -1.57 2.40 0.21 0.00 1.01 -1.26 -1.72 121.20 120.26 3ine s ILE 386 Ca 0.26 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 3ine s ILE 386 Cb 0.22 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3ine s ILE 386 CO 0.05 0.54 0.26 -0.94 0.00 0.00 0.00 174.94 174.85 3ine s SER 387 N 0.56 0.07 0.26 3.58 1.04 -0.66 -4.73 113.70 113.82 3ine s SER 387 Ca -0.12 -1.18 -0.18 0.00 0.48 0.00 0.00 55.95 54.95 3ine s SER 387 Cb -0.16 0.45 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 3ine s SER 387 CO 0.04 -0.94 0.74 -1.58 0.98 0.00 0.00 173.24 172.48 3ine s GLN 388 N -4.09 4.18 0.04 4.02 0.74 -1.26 -1.30 119.66 121.99 3ine s GLN 388 Ca 0.30 0.82 0.05 0.00 0.05 0.00 0.00 55.36 56.59 3ine s GLN 388 Cb 0.04 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 3ine s GLN 388 CO 0.09 0.31 -0.15 0.45 -0.55 0.00 0.00 175.29 175.45 3ine s SER 389 N -1.84 1.73 0.00 6.67 0.15 0.82 -4.72 113.70 116.51 3ine s SER 389 Ca 0.47 -0.45 0.11 0.00 0.70 0.00 0.00 55.95 56.77 3ine s SER 389 Cb -0.15 -0.12 0.08 0.00 -1.71 0.00 0.00 66.02 64.13 3ine s SER 389 CO 0.20 0.05 0.84 -1.20 1.20 0.00 0.00 173.24 174.33 3ine n SER 390 N 1.94 1.89 -0.59 5.45 7.64 -1.26 -3.25 113.62 125.43 3ine n SER 390 Ca -0.18 -1.44 0.06 0.00 1.01 0.00 0.00 58.87 58.31 3ine n SER 390 Cb 0.55 0.01 0.20 0.00 -1.01 0.00 0.00 64.21 63.95 3ine n SER 390 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ine n THR 391 N 0.59 2.20 -0.14 0.44 -2.24 -1.26 -4.82 114.28 109.06 3ine n THR 391 Ca 0.06 -3.06 0.00 0.00 -2.27 0.00 0.00 64.05 58.78 3ine n THR 391 Cb 0.27 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3ine n THR 391 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ine n GLY 392 N -1.15 -3.61 3.75 3.38 0.00 -1.24 -4.50 105.19 101.83 3ine n GLY 392 Ca 0.20 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3ine n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ine s THR 393 N -0.83 3.70 -0.25 2.61 2.01 0.37 -4.32 115.64 118.92 3ine s THR 393 Ca 0.00 1.58 0.02 0.00 0.31 0.00 0.00 61.69 63.60 3ine s THR 393 Cb 0.00 -4.01 0.06 0.00 0.01 0.00 0.00 72.50 68.56 3ine s THR 393 CO 0.00 0.33 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.47 3ine s VAL 394 N -0.71 1.92 -0.94 3.82 1.01 0.12 -2.09 120.40 123.53 3ine s VAL 394 Ca 0.47 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 3ine s VAL 394 Cb -0.30 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.08 3ine s VAL 394 CO 0.38 -0.03 1.28 -0.04 0.00 0.00 0.00 175.10 176.68 3ine s MET 395 N 1.22 3.53 0.00 2.72 -1.94 -0.13 -0.95 119.30 123.74 3ine s MET 395 Ca -0.07 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 3ine s MET 395 Cb -0.19 -5.02 0.00 0.00 2.01 0.00 0.00 34.83 31.63 3ine s MET 395 CO -0.06 -2.01 0.00 0.41 -0.01 0.00 0.00 175.02 173.35 3ine n GLY 396 N 6.13 1.17 0.34 -0.03 0.00 -1.09 -1.45 105.19 110.27 3ine n GLY 396 Ca 0.24 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 3ine n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ine h ALA 397 N -0.35 0.06 -0.20 4.61 0.00 0.02 0.30 119.26 123.71 3ine h ALA 397 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3ine h ALA 397 Cb 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ine h ALA 397 CO 0.00 -0.63 0.19 -0.39 0.00 0.00 0.00 179.25 178.42 3ine h VAL 398 N -0.11 0.58 0.17 0.00 -1.51 -1.49 0.50 116.25 114.38 3ine h VAL 398 Ca 0.27 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.50 3ine h VAL 398 Cb 0.56 0.86 0.02 0.00 -2.13 0.00 0.00 31.29 30.60 3ine h VAL 398 CO -0.74 0.00 -1.07 0.40 -1.23 0.00 0.00 177.57 174.93 3ine h ILE 399 N 0.00 1.39 0.00 7.19 1.08 -1.23 -3.32 117.51 122.62 3ine h ILE 399 Ca 0.09 -2.57 -0.06 0.00 -0.39 0.00 0.00 64.86 61.94 3ine h ILE 399 Cb 0.47 3.11 -0.01 0.00 -3.07 0.00 0.00 36.82 37.32 3ine h ILE 399 CO -0.00 0.74 -0.28 0.24 -0.69 0.00 0.00 178.15 178.16 3ine h MET 400 N -0.22 0.00 0.00 2.37 2.86 -0.06 -3.19 114.93 116.69 3ine h MET 400 Ca -0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3ine h MET 400 Cb 1.80 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.46 3ine h MET 400 CO 0.18 0.28 -0.01 0.93 1.06 0.00 0.00 176.91 179.34 3ine h GLU 401 N 0.00 0.00 0.00 1.72 5.08 -0.20 -0.51 114.58 120.67 3ine h GLU 401 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ine h GLU 401 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ine h GLU 401 CO 0.04 0.01 0.00 0.78 -1.00 0.00 0.00 179.01 178.84 3ine h GLY 402 N 0.34 0.00 -2.64 -3.84 0.00 -1.73 -3.41 103.07 91.80 3ine h GLY 402 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3ine h GLY 402 CO 0.00 0.00 -0.63 -1.36 0.00 0.00 0.00 176.54 174.55 3ine s PHE 403 N -3.28 1.15 -0.30 5.60 0.40 -0.20 -2.58 117.98 118.77 3ine s PHE 403 Ca 0.07 -1.26 -0.12 0.00 -0.60 0.00 0.00 56.93 55.02 3ine s PHE 403 Cb 0.09 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 3ine s PHE 403 CO 0.57 -0.50 0.20 -0.47 0.70 0.00 0.00 175.22 175.72 3ine s TYR 404 N -4.00 3.22 -0.23 0.36 5.04 0.13 -4.31 117.35 117.56 3ine s TYR 404 Ca 0.33 0.02 -0.04 0.00 -2.44 0.00 0.00 57.07 54.94 3ine s TYR 404 Cb 0.07 -2.41 -0.00 0.00 0.35 0.00 0.00 41.96 39.97 3ine s TYR 404 CO 0.09 -0.22 -0.04 0.08 -1.34 0.00 0.00 175.55 174.11 3ine s VAL 405 N 1.75 3.32 -0.28 3.14 1.01 -0.10 -1.88 120.40 127.35 3ine s VAL 405 Ca 0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3ine s VAL 405 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3ine s VAL 405 CO 0.11 0.36 0.14 -0.69 0.00 0.00 0.00 175.10 175.02 3ine s VAL 406 N 1.45 4.83 -1.01 2.92 1.01 0.66 -0.32 120.40 129.95 3ine s VAL 406 Ca 0.05 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 3ine s VAL 406 Cb -0.15 -3.32 0.19 0.00 0.00 0.00 0.00 36.38 33.10 3ine s VAL 406 CO -0.03 0.24 1.11 -0.36 0.00 0.00 0.00 175.10 176.06 3ine s PHE 407 N 1.68 3.57 -1.37 5.22 0.40 0.94 -0.32 117.98 128.10 3ine s PHE 407 Ca 0.06 -1.94 -0.12 0.00 -0.60 0.00 0.00 56.93 54.33 3ine s PHE 407 Cb -0.16 -4.10 0.10 0.00 0.51 0.00 0.00 43.02 39.36 3ine s PHE 407 CO 0.08 -1.25 2.04 -3.47 0.70 0.00 0.00 175.22 173.31 3ine n ASP 408 N 5.05 4.45 -0.14 1.36 -0.08 -0.09 -2.55 116.55 124.55 3ine n ASP 408 Ca 0.25 -2.96 0.09 0.00 -1.51 0.00 0.00 54.79 50.66 3ine n ASP 408 Cb 0.45 -1.59 0.42 0.00 2.34 0.00 0.00 41.12 42.74 3ine n ASP 408 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3ine h ARG 409 N 6.02 0.58 -0.63 -0.67 3.08 -1.75 -0.75 114.38 120.25 3ine h ARG 409 Ca 0.49 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.50 3ine h ARG 409 Cb 0.65 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3ine h ARG 409 CO 1.74 0.38 0.39 0.00 -1.07 0.00 0.00 179.97 181.41 3ine h ALA 410 N 1.65 1.50 -0.21 0.04 0.00 -1.52 -2.75 119.26 117.97 3ine h ALA 410 Ca 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ine h ALA 410 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ine h ALA 410 CO -0.10 0.44 -0.03 0.54 0.00 0.00 0.00 179.25 180.10 3ine n ARG 411 N -4.42 2.28 -4.07 0.00 1.74 -0.56 -4.99 116.66 106.63 3ine n ARG 411 Ca 0.06 -2.86 -0.36 0.00 -0.77 0.00 0.00 57.85 53.92 3ine n ARG 411 Cb 0.06 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.73 3ine n ARG 411 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ine n LYS 412 N -0.87 -1.10 -3.68 5.56 5.02 -0.40 -4.90 118.16 117.78 3ine n LYS 412 Ca 0.22 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 3ine n LYS 412 Cb 0.85 -3.40 -0.07 0.00 -0.02 0.00 0.00 35.03 32.39 3ine n LYS 412 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3ine s ARG 413 N -7.07 0.88 -0.17 1.97 1.70 -0.96 -1.46 118.95 113.84 3ine s ARG 413 Ca 0.26 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 55.19 3ine s ARG 413 Cb -0.13 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3ine s ARG 413 CO 0.95 -0.29 -0.16 0.42 -1.08 0.00 0.00 175.30 175.14 3ine s ILE 414 N -2.28 2.48 0.06 4.99 1.01 0.29 -0.91 121.20 126.84 3ine s ILE 414 Ca -0.07 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 3ine s ILE 414 Cb -0.01 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.35 3ine s ILE 414 CO -0.01 0.51 0.38 -0.83 0.00 0.00 0.00 174.94 174.99 3ine s GLY 415 N 1.12 2.34 -0.04 6.18 0.00 0.56 -0.94 107.32 116.53 3ine s GLY 415 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.36 3ine s GLY 415 CO -0.06 -0.17 -0.13 -1.36 0.00 0.00 0.00 173.10 171.38 3ine s PHE 416 N -1.36 1.39 0.11 1.90 0.08 0.69 -0.24 117.98 120.54 3ine s PHE 416 Ca 0.32 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 3ine s PHE 416 Cb -0.14 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 3ine s PHE 416 CO 0.17 -0.17 0.10 0.00 -0.10 0.00 0.00 175.22 175.23 3ine s ALA 417 N 0.25 0.38 0.09 5.36 0.00 -0.79 -0.48 121.76 126.58 3ine s ALA 417 Ca -0.06 -1.11 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 3ine s ALA 417 Cb -0.12 0.62 -0.08 0.00 0.00 0.00 0.00 23.12 23.54 3ine s ALA 417 CO 0.02 -0.49 1.52 0.08 0.00 0.00 0.00 175.76 176.89 3ine s VAL 418 N -3.96 3.10 0.42 0.00 1.01 -1.22 -0.70 120.40 119.05 3ine s VAL 418 Ca 0.14 0.69 -0.24 0.00 0.00 0.00 0.00 61.98 62.57 3ine s VAL 418 Cb 0.06 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 3ine s VAL 418 CO -0.04 0.03 1.08 -0.55 0.00 0.00 0.00 175.10 175.62 3ine s SER 419 N 1.66 6.59 0.47 3.32 0.15 -1.07 -0.96 113.70 123.87 3ine s SER 419 Ca 0.69 2.12 0.32 0.00 0.70 0.00 0.00 55.95 59.78 3ine s SER 419 Cb -0.39 -2.59 1.52 0.00 -1.71 0.00 0.00 66.02 62.85 3ine s SER 419 CO 0.30 -0.61 1.96 0.00 1.20 0.00 0.00 173.24 176.10 3ine h ALA 420 N 2.37 1.00 -0.20 5.45 0.00 -1.34 -3.23 119.26 123.31 3ine h ALA 420 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ine h ALA 420 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ine h ALA 420 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3ine s HIS 422 N -0.95 2.81 0.06 0.00 -0.00 -1.22 -4.89 115.29 111.09 3ine s HIS 422 Ca 0.14 1.51 -0.21 0.00 -0.00 0.00 0.00 55.06 56.50 3ine s HIS 422 Cb 0.07 -3.45 -0.06 0.00 -0.00 0.00 0.00 32.58 29.14 3ine s HIS 422 CO 0.10 -1.70 0.61 0.08 -0.00 0.00 0.00 174.74 173.83 3ine s VAL 423 N -1.49 4.74 0.09 -5.38 1.01 -1.26 -5.05 120.40 113.06 3ine s VAL 423 Ca 0.64 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.67 3ine s VAL 423 Cb -0.31 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.20 3ine s VAL 423 CO 0.37 0.50 0.79 -1.38 0.00 0.00 0.00 175.10 175.38 3ine s HIS 424 N -0.79 -0.37 0.00 5.22 -0.00 -1.26 -4.71 115.29 113.38 3ine s HIS 424 Ca 0.31 0.16 0.00 0.00 -0.00 0.00 0.00 55.06 55.53 3ine s HIS 424 Cb -0.20 0.57 0.00 0.00 -0.00 0.00 0.00 32.58 32.96 3ine s HIS 424 CO 0.20 -0.74 0.00 -0.40 -0.00 0.00 0.00 174.74 173.80 3ine n ASP 425 N -0.34 0.42 -1.48 7.38 3.85 -1.22 -5.02 116.55 120.14 3ine n ASP 425 Ca -0.11 -0.38 0.06 0.00 -0.71 0.00 0.00 54.79 53.65 3ine n ASP 425 Cb 0.62 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.70 3ine n ASP 425 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3ine n GLU 426 N -0.30 3.72 0.00 0.11 -0.58 -1.26 -4.10 120.64 118.23 3ine n GLU 426 Ca 0.00 -2.36 0.00 0.00 -0.42 0.00 0.00 57.16 54.38 3ine n GLU 426 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 3ine n GLU 426 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3ine n PHE 427 N 0.60 0.00 -4.18 -0.32 3.01 -1.26 -5.10 117.46 110.20 3ine n PHE 427 Ca 0.21 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.56 3ine n PHE 427 Cb 0.90 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.27 3ine n PHE 427 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3ine s ARG 428 N -1.43 0.91 -0.14 -1.08 0.52 -1.26 -5.16 118.95 111.31 3ine s ARG 428 Ca 0.00 -1.40 -0.15 0.00 -0.52 0.00 0.00 55.73 53.66 3ine s ARG 428 Cb 0.00 -0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.40 3ine s ARG 428 CO 0.00 -0.10 0.42 0.95 0.02 0.00 0.00 175.30 176.59 3ine s THR 429 N -3.73 0.01 0.39 0.02 -4.23 -1.26 -3.39 115.64 103.44 3ine s THR 429 Ca 0.17 -0.04 -0.25 0.00 -1.18 0.00 0.00 61.69 60.39 3ine s THR 429 Cb 0.06 -0.61 -0.12 0.00 1.34 0.00 0.00 72.50 73.17 3ine s THR 429 CO -0.02 -0.02 0.87 0.00 -0.54 0.00 0.00 174.62 174.91 3ine n ALA 430 N 2.65 -0.44 -3.00 3.99 0.00 -1.26 -4.94 120.51 117.51 3ine n ALA 430 Ca -0.14 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 3ine n ALA 430 Cb 0.57 -1.97 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 3ine n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ine s ALA 431 N -1.27 0.00 -0.17 0.00 0.00 -0.72 -4.97 121.76 114.64 3ine s ALA 431 Ca 0.62 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3ine s ALA 431 Cb -0.61 0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3ine s ALA 431 CO 0.58 -0.15 -0.15 0.08 0.00 0.00 0.00 175.76 176.12 3ine s VAL 432 N -1.23 1.72 -0.01 0.00 1.01 -1.26 0.05 120.40 120.68 3ine s VAL 432 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3ine s VAL 432 Cb -0.08 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3ine s VAL 432 CO -0.00 0.43 -0.01 -1.61 0.00 0.00 0.00 175.10 173.91 3ine s GLU 433 N 1.42 0.12 0.23 2.72 2.02 -0.35 -4.88 118.70 119.97 3ine s GLU 433 Ca 0.04 -0.01 -0.22 0.00 0.02 0.00 0.00 54.97 54.80 3ine s GLU 433 Cb -0.13 -0.17 0.04 0.00 0.10 0.00 0.00 34.13 33.97 3ine s GLU 433 CO -0.11 -0.01 0.78 0.20 0.02 0.00 0.00 175.26 176.14 3ine s GLY 434 N 0.22 -0.18 0.49 -1.39 0.00 -1.26 -0.29 107.32 104.91 3ine s GLY 434 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3ine s GLY 434 CO -0.01 -0.03 0.76 2.56 0.00 0.00 0.00 173.10 176.38 3ine s PRO 435 N -3.71 3.18 -0.15 2.90 0.05 -1.26 -5.08 135.00 130.92 3ine s PRO 435 Ca 0.10 -0.14 -0.01 0.00 0.05 0.00 0.00 61.00 60.99 3ine s PRO 435 Cb -0.04 -2.43 0.04 0.00 0.05 0.00 0.00 34.50 32.12 3ine s PRO 435 CO 0.04 -0.35 -0.01 -0.06 0.05 0.00 0.00 177.00 176.66 3ine s PHE 436 N -2.72 1.21 0.41 0.56 0.40 0.15 -4.95 117.98 113.03 3ine s PHE 436 Ca 0.49 -0.76 -0.25 0.00 -0.60 0.00 0.00 56.93 55.81 3ine s PHE 436 Cb -0.10 -1.09 -0.08 0.00 0.51 0.00 0.00 43.02 42.26 3ine s PHE 436 CO 0.42 -0.54 1.20 0.14 0.70 0.00 0.00 175.22 177.14 3ine s VAL 437 N 1.80 3.02 0.00 -0.44 -7.23 -1.26 -0.67 120.40 115.61 3ine s VAL 437 Ca 0.01 0.87 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 3ine s VAL 437 Cb -0.15 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.30 3ine s VAL 437 CO -0.07 0.08 0.00 0.35 -0.31 0.00 0.00 175.10 175.15 3ine n THR 438 N 0.05 0.00 -3.49 5.32 -2.24 -0.52 -4.88 114.28 108.51 3ine n THR 438 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 3ine n THR 438 Cb 0.46 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 3ine n THR 438 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3ine s MET 441 N 2.53 1.09 0.26 -0.78 -1.94 -1.26 -5.07 119.30 114.12 3ine s MET 441 Ca 0.00 -0.03 0.23 0.00 -1.71 0.00 0.00 55.69 54.18 3ine s MET 441 Cb 0.00 0.51 0.99 0.00 2.01 0.00 0.00 34.83 38.34 3ine s MET 441 CO 0.00 -0.40 1.69 0.39 -0.01 0.00 0.00 175.02 176.69 3ine n GLU 442 N 0.39 0.18 -0.24 2.03 1.02 -1.26 -2.11 120.64 120.65 3ine n GLU 442 Ca -0.17 0.45 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 3ine n GLU 442 Cb 0.60 -1.87 0.14 0.00 -0.02 0.00 0.00 31.44 30.29 3ine n GLU 442 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ine n ASP 443 N -2.22 2.15 0.09 1.62 8.00 -1.26 -3.22 116.55 121.72 3ine n ASP 443 Ca 0.02 -2.18 0.06 0.00 0.71 0.00 0.00 54.79 53.39 3ine n ASP 443 Cb 0.20 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 3ine n ASP 443 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ine s GLY 445 N -4.54 2.18 -0.97 0.00 0.00 -1.20 -3.94 107.32 98.85 3ine s GLY 445 Ca -0.00 1.59 -0.03 0.00 0.00 0.00 0.00 44.72 46.28 3ine s GLY 445 CO 0.78 2.55 1.14 2.98 0.00 0.00 0.00 173.10 180.55 3ine n TYR 446 N 2.00 3.46 0.00 1.90 9.36 -1.26 -4.96 117.16 127.65 3ine n TYR 446 Ca 0.08 -3.43 0.00 0.00 3.32 0.00 0.00 57.90 57.87 3ine n TYR 446 Cb 0.37 -1.18 0.00 0.00 -0.63 0.00 0.00 39.34 37.90 3ine n TYR 446 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17