#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m3i s SER 37 N 0.00 6.32 0.05 1.08 0.15 -1.26 -1.96 113.70 118.08 1m3i s SER 37 Ca 0.00 0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.77 1m3i s SER 37 Cb 0.00 -1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 1m3i s SER 37 CO 0.00 -0.15 1.23 0.40 1.20 0.00 0.00 173.24 175.92 1m3i h ILE 38 N 1.06 0.00 -0.93 6.45 2.04 -1.85 1.19 117.51 125.47 1m3i h ILE 38 Ca -0.51 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1m3i h ILE 38 Cb 1.22 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1m3i h ILE 38 CO 0.62 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.83 1m3i h ASP 39 N -0.24 1.05 0.63 1.72 3.32 -1.96 -1.29 116.42 119.65 1m3i h ASP 39 Ca 0.02 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1m3i h ASP 39 Cb 0.29 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1m3i h ASP 39 CO -0.20 0.75 -0.30 0.77 -1.72 0.00 0.00 179.24 178.54 1m3i h SER 40 N 1.24 -0.71 -0.55 6.45 4.64 -1.83 0.46 113.55 123.25 1m3i h SER 40 Ca 0.35 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1m3i h SER 40 Cb -0.10 0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 1m3i h SER 40 CO -0.09 -0.40 0.28 1.23 -0.87 0.00 0.00 176.83 176.97 1m3i h GLY 41 N -1.01 0.77 0.57 -0.77 0.00 0.15 -2.70 103.07 100.08 1m3i h GLY 41 Ca -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1m3i h GLY 41 CO 0.14 0.11 -0.05 -2.22 0.00 0.00 0.00 176.54 174.52 1m3i h ILE 42 N 0.53 1.09 0.00 2.60 2.04 -1.24 -3.09 117.51 119.45 1m3i h ILE 42 Ca 0.24 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1m3i h ILE 42 Cb 0.16 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1m3i h ILE 42 CO -0.17 0.21 0.03 -0.24 0.00 0.00 0.00 178.15 177.98 1m3i n SER 43 N -4.96 0.00 -0.13 1.72 2.88 0.16 -1.11 113.62 112.19 1m3i n SER 43 Ca -0.09 0.12 0.05 0.00 -1.33 0.00 0.00 58.87 57.63 1m3i n SER 43 Cb 0.24 -0.12 0.07 0.00 -0.75 0.00 0.00 64.21 63.65 1m3i n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1m3i n SER 44 N -1.05 1.65 -4.73 -3.46 3.41 -1.04 -5.03 113.62 103.37 1m3i n SER 44 Ca 0.00 -2.49 -0.41 0.00 -0.26 0.00 0.00 58.87 55.71 1m3i n SER 44 Cb 0.03 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 1m3i n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1m3i s LEU 45 N -1.71 4.46 -0.34 1.04 1.43 -0.26 -5.02 118.68 118.28 1m3i s LEU 45 Ca 0.17 2.08 -0.09 0.00 -1.03 0.00 0.00 54.13 55.26 1m3i s LEU 45 Cb 0.15 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1m3i s LEU 45 CO 0.02 -0.28 0.15 -0.94 0.23 0.00 0.00 176.35 175.53 1m3i s SER 46 N 0.13 5.48 -0.19 2.29 1.04 -1.26 -5.05 113.70 116.14 1m3i s SER 46 Ca 0.51 -0.87 -0.28 0.00 0.48 0.00 0.00 55.95 55.79 1m3i s SER 46 Cb -0.29 -1.96 0.10 0.00 0.10 0.00 0.00 66.02 63.97 1m3i s SER 46 CO 0.34 -0.30 0.89 -0.72 0.98 0.00 0.00 173.24 174.43 1m3i s TYR 47 N 1.52 -0.54 -0.63 5.02 -0.85 -1.26 -4.80 117.35 115.81 1m3i s TYR 47 Ca 0.02 1.14 -0.24 0.00 -0.52 0.00 0.00 57.07 57.46 1m3i s TYR 47 Cb -0.18 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.59 1m3i s TYR 47 CO 0.05 -0.37 1.03 1.21 -1.52 0.00 0.00 175.55 175.95 1m3i s ASN 48 N -0.44 6.25 0.59 -0.18 3.84 -1.26 -4.88 114.94 118.86 1m3i s ASN 48 Ca -0.02 -0.59 0.29 0.00 0.21 0.00 0.00 52.86 52.75 1m3i s ASN 48 Cb -0.03 -2.46 1.47 0.00 -0.55 0.00 0.00 41.25 39.69 1m3i s ASN 48 CO 0.01 -1.44 1.89 0.08 -2.79 0.00 0.00 177.10 174.85 1m3i h ARG 49 N 9.56 0.00 -0.61 0.43 0.11 -2.00 0.31 114.38 122.18 1m3i h ARG 49 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1m3i h ARG 49 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1m3i h ARG 49 CO 1.17 0.00 0.00 0.09 0.10 0.00 0.00 179.97 181.33 1m3i n ASN 50 N -3.66 2.86 0.00 0.08 3.02 -1.26 -3.98 115.26 112.32 1m3i n ASN 50 Ca 0.08 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 1m3i n ASN 50 Cb 0.67 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1m3i n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1m3i n GLU 51 N 0.46 4.00 -0.15 3.52 1.02 0.82 -4.89 120.64 125.41 1m3i n GLU 51 Ca 0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1m3i n GLU 51 Cb 0.56 -0.33 0.06 0.00 -0.02 0.00 0.00 31.44 31.71 1m3i n GLU 51 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1m3i h VAL 52 N 0.00 0.69 -3.55 2.62 -1.51 -0.97 -3.33 116.25 110.20 1m3i h VAL 52 Ca 0.00 -0.07 -0.71 0.00 -1.23 0.00 0.00 66.70 64.70 1m3i h VAL 52 Cb 0.00 0.48 -0.28 0.00 -2.13 0.00 0.00 31.29 29.36 1m3i h VAL 52 CO 0.00 0.04 -0.53 -0.76 -1.23 0.00 0.00 177.57 175.09 1m3i s LEU 53 N -10.49 4.81 -0.02 4.19 1.43 -1.26 -4.78 118.68 112.57 1m3i s LEU 53 Ca -0.13 -1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 1m3i s LEU 53 Cb 0.15 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1m3i s LEU 53 CO 0.72 -0.45 0.05 0.00 0.23 0.00 0.00 176.35 176.90 1m3i s ALA 54 N 1.41 -0.11 -0.60 4.21 0.00 -1.25 -0.51 121.76 124.91 1m3i s ALA 54 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1m3i s ALA 54 Cb -0.21 -0.07 0.16 0.00 0.00 0.00 0.00 23.12 22.99 1m3i s ALA 54 CO 0.02 -0.03 0.40 -1.54 0.00 0.00 0.00 175.76 174.62 1m3i s SER 55 N -0.01 4.11 0.30 0.00 1.04 0.13 -4.89 113.70 114.38 1m3i s SER 55 Ca -0.00 -3.43 0.00 0.00 0.48 0.00 0.00 55.95 53.00 1m3i s SER 55 Cb -0.01 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.69 1m3i s SER 55 CO 0.00 -0.15 0.50 0.20 0.98 0.00 0.00 173.24 174.77 1m3i s ASN 56 N -0.79 6.33 0.00 7.02 0.01 -1.26 -4.24 114.94 122.00 1m3i s ASN 56 Ca 0.24 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 1m3i s ASN 56 Cb -0.10 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.54 1m3i s ASN 56 CO -0.12 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1m3i n GLY 57 N -1.48 2.87 3.78 0.66 0.00 -1.23 -5.03 105.19 104.75 1m3i n GLY 57 Ca -0.05 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1m3i n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1m3i s ASP 58 N 1.00 6.66 -0.08 1.61 1.47 -1.26 -5.02 116.67 121.05 1m3i s ASP 58 Ca 0.00 0.79 0.01 0.00 1.18 0.00 0.00 52.55 54.52 1m3i s ASP 58 Cb 0.00 -2.24 0.02 0.00 -0.34 0.00 0.00 42.92 40.36 1m3i s ASP 58 CO 0.00 0.17 -0.08 -0.75 0.68 0.00 0.00 175.17 175.19 1m3i s LYS 59 N -0.16 1.40 0.28 2.11 2.20 -1.26 -1.17 119.74 123.13 1m3i s LYS 59 Ca 0.22 -0.26 0.12 0.00 -0.36 0.00 0.00 55.97 55.68 1m3i s LYS 59 Cb -0.15 -1.33 -0.05 0.00 -1.51 0.00 0.00 37.83 34.79 1m3i s LYS 59 CO 0.10 -0.11 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.31 1m3i s ILE 60 N 1.15 2.64 0.00 5.43 1.10 -1.26 -4.98 121.20 125.27 1m3i s ILE 60 Ca -0.06 -2.33 0.00 0.00 -0.51 0.00 0.00 60.65 57.75 1m3i s ILE 60 Cb -0.14 -2.39 0.00 0.00 0.15 0.00 0.00 42.46 40.08 1m3i s ILE 60 CO -0.02 -0.39 0.00 -0.62 -2.11 0.00 0.00 174.94 171.80 1m3i n GLU 61 N -0.67 0.12 -1.49 3.50 1.02 -1.26 -4.96 120.64 116.91 1m3i n GLU 61 Ca -0.05 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 1m3i n GLU 61 Cb 0.60 -0.21 -0.07 0.00 -0.02 0.00 0.00 31.44 31.74 1m3i n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1m3i n SER 62 N -0.48 6.54 -4.73 1.62 2.88 -1.26 -4.96 113.62 113.23 1m3i n SER 62 Ca 0.00 -3.10 -0.31 0.00 -1.33 0.00 0.00 58.87 54.13 1m3i n SER 62 Cb 0.00 -1.28 -0.08 0.00 -0.75 0.00 0.00 64.21 62.11 1m3i n SER 62 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1m3i s PHE 63 N -1.25 3.12 -0.60 0.66 -0.12 -1.26 -5.08 117.98 113.45 1m3i s PHE 63 Ca 0.60 0.07 -0.27 0.00 -0.05 0.00 0.00 56.93 57.27 1m3i s PHE 63 Cb 0.35 -1.62 0.03 0.00 -0.63 0.00 0.00 43.02 41.15 1m3i s PHE 63 CO -0.18 0.50 1.13 0.08 -0.05 0.00 0.00 175.22 176.70 1m3i s VAL 64 N -1.27 4.08 0.54 -2.49 1.01 -1.26 -4.92 120.40 116.10 1m3i s VAL 64 Ca 0.25 0.62 0.26 0.00 0.00 0.00 0.00 61.98 63.12 1m3i s VAL 64 Cb -0.12 -4.70 0.40 0.00 0.00 0.00 0.00 36.38 31.96 1m3i s VAL 64 CO 0.17 -1.36 1.98 -0.65 0.00 0.00 0.00 175.10 175.24 1m3i h PRO 65 N 9.55 0.00 -2.65 2.72 0.11 -1.89 -3.40 132.00 136.44 1m3i h PRO 65 Ca -0.26 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 1m3i h PRO 65 Cb 1.06 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.91 1m3i h PRO 65 CO 1.17 0.00 -0.29 0.21 -0.21 0.00 0.00 178.00 178.89 1m3i s LYS 66 N -4.96 0.41 -0.25 1.05 2.47 -1.26 -2.53 119.74 114.67 1m3i s LYS 66 Ca -0.05 0.77 0.02 0.00 -1.56 0.00 0.00 55.97 55.15 1m3i s LYS 66 Cb 0.19 0.01 0.06 0.00 -1.46 0.00 0.00 37.83 36.63 1m3i s LYS 66 CO 0.71 -0.15 -0.08 -2.00 0.16 0.00 0.00 175.35 173.99 1m3i s GLU 67 N 1.26 1.95 -0.32 4.03 2.56 -0.61 -4.45 118.70 123.11 1m3i s GLU 67 Ca -0.08 -1.19 -0.09 0.00 0.00 0.00 0.00 54.97 53.60 1m3i s GLU 67 Cb -0.08 -2.76 0.00 0.00 2.00 0.00 0.00 34.13 33.30 1m3i s GLU 67 CO -0.11 -0.59 0.14 0.20 -0.56 0.00 0.00 175.26 174.34 1m3i s GLY 68 N 1.23 1.85 0.10 -1.50 0.00 -1.26 -1.53 107.32 106.22 1m3i s GLY 68 Ca -0.07 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.14 1m3i s GLY 68 CO -0.06 0.70 0.12 -1.59 0.00 0.00 0.00 173.10 172.28 1m3i s LYS 69 N 1.57 0.85 0.20 2.90 -2.85 -0.94 -4.80 119.74 116.67 1m3i s LYS 69 Ca 0.04 -1.15 -0.01 0.00 -1.00 0.00 0.00 55.97 53.84 1m3i s LYS 69 Cb -0.17 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 1m3i s LYS 69 CO 0.05 -0.25 0.39 0.15 0.10 0.00 0.00 175.35 175.80 1m3i s LYS 70 N -3.93 3.52 -0.43 1.78 1.02 -1.26 -0.87 119.74 119.57 1m3i s LYS 70 Ca 0.11 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.81 1m3i s LYS 70 Cb 0.06 -2.84 0.17 0.00 -0.52 0.00 0.00 37.83 34.70 1m3i s LYS 70 CO -0.07 0.40 0.44 0.00 -0.92 0.00 0.00 175.35 175.21 1m3i s ALA 71 N -1.87 0.18 0.00 5.17 0.00 -0.78 -4.84 121.76 119.62 1m3i s ALA 71 Ca 0.39 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1m3i s ALA 71 Cb -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1m3i s ALA 71 CO 0.29 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.38 1m3i n GLY 72 N 3.13 2.26 0.12 0.00 0.00 -1.26 -2.25 105.19 107.19 1m3i n GLY 72 Ca 0.23 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1m3i n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1m3i n ASN 73 N 8.07 0.65 -4.96 1.61 2.85 -1.26 -4.90 115.26 117.33 1m3i n ASN 73 Ca 0.00 -0.50 -0.20 0.00 -0.11 0.00 0.00 54.58 53.77 1m3i n ASN 73 Cb 0.00 0.07 0.04 0.00 1.24 0.00 0.00 39.78 41.14 1m3i n ASN 73 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m3i s LYS 74 N -2.70 2.48 -0.21 1.20 1.02 -0.95 -3.76 119.74 116.82 1m3i s LYS 74 Ca 0.20 -1.15 -0.03 0.00 0.02 0.00 0.00 55.97 55.01 1m3i s LYS 74 Cb 0.19 -2.59 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 1m3i s LYS 74 CO 0.57 -0.68 0.05 0.12 -0.92 0.00 0.00 175.35 174.48 1m3i s PHE 75 N -2.65 1.02 0.06 3.18 5.36 0.24 -1.87 117.98 123.32 1m3i s PHE 75 Ca 0.59 -0.91 -0.09 0.00 -0.96 0.00 0.00 56.93 55.55 1m3i s PHE 75 Cb -0.09 -1.06 -0.06 0.00 -0.34 0.00 0.00 43.02 41.47 1m3i s PHE 75 CO 0.37 -0.64 0.37 0.42 -1.46 0.00 0.00 175.22 174.29 1m3i s ILE 76 N 1.86 5.14 -0.28 3.12 -1.09 -0.05 -0.93 121.20 128.97 1m3i s ILE 76 Ca 0.00 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1m3i s ILE 76 Cb -0.17 -3.63 0.09 0.00 -1.58 0.00 0.00 42.46 37.17 1m3i s ILE 76 CO -0.11 0.32 0.08 -0.69 -1.23 0.00 0.00 174.94 173.30 1m3i s VAL 77 N -1.36 0.78 0.07 2.92 1.01 -0.84 -2.22 120.40 120.77 1m3i s VAL 77 Ca 0.31 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1m3i s VAL 77 Cb -0.14 -1.49 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 1m3i s VAL 77 CO 0.17 -0.54 0.56 -0.69 0.00 0.00 0.00 175.10 174.61 1m3i s VAL 78 N 1.68 4.76 -0.31 2.92 1.01 -0.58 -1.02 120.40 128.86 1m3i s VAL 78 Ca 0.06 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1m3i s VAL 78 Cb -0.17 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.43 1m3i s VAL 78 CO -0.21 0.54 0.12 -0.70 0.00 0.00 0.00 175.10 174.85 1m3i s GLU 79 N -1.16 0.53 0.85 2.72 2.12 0.06 -1.58 118.70 122.24 1m3i s GLU 79 Ca 0.29 -0.91 -0.12 0.00 0.36 0.00 0.00 54.97 54.59 1m3i s GLU 79 Cb -0.19 -1.66 0.13 0.00 0.26 0.00 0.00 34.13 32.67 1m3i s GLU 79 CO 0.19 -1.02 1.21 1.03 -0.54 0.00 0.00 175.26 176.13 1m3i s ARG 80 N 1.73 1.44 -0.32 4.30 0.52 -1.05 -3.07 118.95 122.50 1m3i s ARG 80 Ca 0.10 -0.21 -0.04 0.00 -0.52 0.00 0.00 55.73 55.06 1m3i s ARG 80 Cb -0.17 -1.95 0.19 0.00 0.52 0.00 0.00 34.95 33.53 1m3i s ARG 80 CO -0.28 -1.88 0.89 -1.14 0.02 0.00 0.00 175.30 172.92 1m3i s GLN 81 N -5.64 0.33 0.13 3.54 0.74 -1.10 -4.88 119.66 112.78 1m3i s GLN 81 Ca 0.67 0.14 -0.35 0.00 0.05 0.00 0.00 55.36 55.87 1m3i s GLN 81 Cb -0.08 0.10 -0.16 0.00 1.10 0.00 0.00 33.01 33.98 1m3i s GLN 81 CO 0.50 -0.56 1.38 1.17 -0.55 0.00 0.00 175.29 177.23 1m3i n LYS 82 N 4.78 1.48 -4.27 1.67 4.81 -1.26 -2.68 118.16 122.69 1m3i n LYS 82 Ca 0.08 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 57.88 1m3i n LYS 82 Cb 0.58 -2.19 -0.11 0.00 0.02 0.00 0.00 35.03 33.34 1m3i n LYS 82 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1m3i s ARG 83 N 0.38 1.11 -0.06 1.64 1.81 0.32 -4.89 118.95 119.26 1m3i s ARG 83 Ca 0.80 -1.39 -0.04 0.00 -1.72 0.00 0.00 55.73 53.38 1m3i s ARG 83 Cb -0.84 -0.88 0.03 0.00 -0.45 0.00 0.00 34.95 32.80 1m3i s ARG 83 CO 0.46 0.15 0.15 -1.54 -0.68 0.00 0.00 175.30 173.84 1m3i s SER 84 N -2.87 -0.14 0.17 0.23 1.04 -1.26 0.95 113.70 111.83 1m3i s SER 84 Ca 0.14 0.32 0.11 0.00 0.48 0.00 0.00 55.95 57.00 1m3i s SER 84 Cb -0.02 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1m3i s SER 84 CO 0.03 -0.11 -0.24 -0.22 0.98 0.00 0.00 173.24 173.68 1m3i s LEU 85 N 0.70 2.43 -0.20 2.42 0.20 -0.59 -5.00 118.68 118.63 1m3i s LEU 85 Ca -0.05 -0.82 -0.05 0.00 0.69 0.00 0.00 54.13 53.90 1m3i s LEU 85 Cb -0.07 -1.21 0.07 0.00 -0.43 0.00 0.00 46.19 44.56 1m3i s LEU 85 CO -0.03 0.14 0.10 -0.89 -0.29 0.00 0.00 176.35 175.37 1m3i s THR 86 N -1.50 -0.08 0.14 3.68 2.01 -1.26 -1.90 115.64 116.73 1m3i s THR 86 Ca 0.19 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1m3i s THR 86 Cb -0.09 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1m3i s THR 86 CO 0.09 -0.40 0.29 -0.89 -0.69 0.00 0.00 174.62 173.03 1m3i s THR 87 N 2.13 5.31 -0.38 -0.82 2.01 0.72 -4.97 115.64 119.63 1m3i s THR 87 Ca 0.04 -0.50 0.12 0.00 0.31 0.00 0.00 61.69 61.66 1m3i s THR 87 Cb -0.16 -3.70 0.39 0.00 0.01 0.00 0.00 72.50 69.03 1m3i s THR 87 CO -0.16 -0.04 1.04 -0.24 -0.69 0.00 0.00 174.62 174.53 1m3i n SER 88 N -0.32 -0.36 -4.75 3.53 2.88 -1.26 -0.60 113.62 112.74 1m3i n SER 88 Ca -0.06 -2.92 -0.33 0.00 -1.33 0.00 0.00 58.87 54.23 1m3i n SER 88 Cb 0.53 0.36 0.07 0.00 -0.75 0.00 0.00 64.21 64.43 1m3i n SER 88 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1m3i s PRO 89 N -1.39 2.42 -0.03 -1.46 0.04 -1.19 -4.81 135.00 128.59 1m3i s PRO 89 Ca 0.28 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.92 1m3i s PRO 89 Cb 0.38 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.93 1m3i s PRO 89 CO -0.04 -1.57 0.12 1.33 0.04 0.00 0.00 177.00 176.88 1m3i n VAL 90 N -2.68 0.14 -3.13 -0.36 0.24 -1.26 -1.89 118.33 109.39 1m3i n VAL 90 Ca 0.12 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.81 1m3i n VAL 90 Cb 0.51 -0.01 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 1m3i n VAL 90 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1m3i s ASP 91 N -3.12 6.52 -0.11 -1.34 -1.08 -1.26 -4.41 116.67 111.86 1m3i s ASP 91 Ca -0.03 0.54 -0.13 0.00 -0.52 0.00 0.00 52.55 52.41 1m3i s ASP 91 Cb 0.04 -2.33 -0.05 0.00 -1.46 0.00 0.00 42.92 39.12 1m3i s ASP 91 CO 0.29 -0.42 0.30 -0.63 0.52 0.00 0.00 175.17 175.23 1m3i s ILE 92 N 2.54 5.27 0.42 4.11 1.09 0.94 -4.87 121.20 130.69 1m3i s ILE 92 Ca 0.25 0.57 -0.23 0.00 -1.10 0.00 0.00 60.65 60.15 1m3i s ILE 92 Cb -0.15 -3.62 -0.09 0.00 -1.06 0.00 0.00 42.46 37.54 1m3i s ILE 92 CO 0.10 0.47 1.02 -0.44 -0.10 0.00 0.00 174.94 175.99 1m3i s SER 93 N -0.15 6.75 -0.15 3.58 0.01 -1.26 -0.96 113.70 121.52 1m3i s SER 93 Ca 0.18 1.92 -0.01 0.00 1.31 0.00 0.00 55.95 59.36 1m3i s SER 93 Cb -0.14 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1m3i s SER 93 CO 0.06 -0.49 -0.12 -0.63 0.41 0.00 0.00 173.24 172.47 1m3i s ILE 94 N -1.83 2.99 -0.06 1.44 1.01 -1.08 -4.92 121.20 118.74 1m3i s ILE 94 Ca 0.60 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 1m3i s ILE 94 Cb -0.18 -2.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1m3i s ILE 94 CO 0.22 0.51 0.00 0.40 0.00 0.00 0.00 174.94 176.08 1m3i h ILE 95 N 5.52 0.00 -3.55 2.92 2.04 -1.90 -3.45 117.51 119.10 1m3i h ILE 95 Ca -0.30 -0.64 -0.69 0.00 1.00 0.00 0.00 64.86 64.23 1m3i h ILE 95 Cb 1.20 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 36.94 1m3i h ILE 95 CO 0.57 0.00 -0.58 -0.62 0.00 0.00 0.00 178.15 177.52 1m3i s ASP 96 N -4.62 5.19 0.50 1.72 2.15 -1.26 -4.87 116.67 115.48 1m3i s ASP 96 Ca -0.00 -1.85 0.22 0.00 0.43 0.00 0.00 52.55 51.35 1m3i s ASP 96 Cb 0.00 -1.81 1.30 0.00 -0.30 0.00 0.00 42.92 42.11 1m3i s ASP 96 CO 0.00 -0.48 1.99 0.28 -0.17 0.00 0.00 175.17 176.79 1m3i h SER 97 N 8.05 0.10 0.06 -0.34 0.02 -1.85 1.63 113.55 121.21 1m3i h SER 97 Ca -0.15 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 1m3i h SER 97 Cb 1.05 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.58 1m3i h SER 97 CO 0.66 0.06 -0.42 0.58 -1.14 0.00 0.00 176.83 176.56 1m3i h VAL 98 N 0.11 1.63 0.00 2.27 2.07 -1.93 -3.29 116.25 117.11 1m3i h VAL 98 Ca 0.26 -2.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.29 1m3i h VAL 98 Cb 0.87 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1m3i h VAL 98 CO -0.03 0.65 -0.30 -1.13 0.02 0.00 0.00 177.57 176.78 1m3i h ASN 99 N -0.72 0.00 -3.19 0.57 -0.73 -1.86 -3.43 115.58 106.22 1m3i h ASN 99 Ca -0.08 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.50 1m3i h ASN 99 Cb 1.30 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.82 1m3i h ASN 99 CO 0.06 0.30 -0.15 -0.62 -0.37 0.00 0.00 177.43 176.65 1m3i s ASP 100 N -6.47 6.79 -0.06 1.15 2.15 0.55 -4.97 116.67 115.82 1m3i s ASP 100 Ca -0.01 0.94 0.09 0.00 0.43 0.00 0.00 52.55 54.00 1m3i s ASP 100 Cb 0.12 -2.28 0.13 0.00 -0.30 0.00 0.00 42.92 40.59 1m3i s ASP 100 CO 0.67 0.17 1.02 0.54 -0.17 0.00 0.00 175.17 177.40 1m3i n ARG 101 N 2.63 1.16 -1.61 4.34 1.74 -1.26 -4.72 116.66 118.93 1m3i n ARG 101 Ca -0.10 -1.77 -0.41 0.00 -0.77 0.00 0.00 57.85 54.80 1m3i n ARG 101 Cb 0.52 -1.05 0.02 0.00 -1.02 0.00 0.00 32.46 30.92 1m3i n ARG 101 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1m3i n THR 102 N -0.76 2.65 -3.99 0.55 -1.04 -1.26 -4.71 114.28 105.72 1m3i n THR 102 Ca 0.07 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 1m3i n THR 102 Cb 0.57 -1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 1m3i n THR 102 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1m3i s TYR 103 N -1.33 0.45 -0.16 -1.42 -0.85 -1.26 -4.96 117.35 107.83 1m3i s TYR 103 Ca 0.65 -0.80 -0.29 0.00 -0.52 0.00 0.00 57.07 56.11 1m3i s TYR 103 Cb -0.52 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 41.81 1m3i s TYR 103 CO 0.55 -0.83 1.18 -1.25 -1.52 0.00 0.00 175.55 173.68 1m3i s PRO 104 N -4.01 4.27 0.00 -3.49 0.04 -1.26 -2.73 135.00 127.82 1m3i s PRO 104 Ca 0.22 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1m3i s PRO 104 Cb 0.02 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1m3i s PRO 104 CO 0.05 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1m3i n GLY 105 N 3.47 1.93 3.40 0.56 0.00 0.56 -4.82 105.19 110.28 1m3i n GLY 105 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1m3i n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m3i n ALA 106 N -0.26 -2.84 -2.60 4.61 0.00 -1.10 -4.58 120.51 113.74 1m3i n ALA 106 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 53.44 52.44 1m3i n ALA 106 Cb 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 19.45 17.53 1m3i n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1m3i s LEU 107 N -1.36 2.00 0.24 0.00 1.43 -1.26 -1.29 118.68 118.44 1m3i s LEU 107 Ca 0.57 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1m3i s LEU 107 Cb -0.20 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 1m3i s LEU 107 CO 0.67 0.21 0.41 -1.10 0.23 0.00 0.00 176.35 176.77 1m3i s GLN 108 N -0.29 1.47 -0.11 1.70 -0.21 -0.96 0.99 119.66 122.26 1m3i s GLN 108 Ca 0.03 -1.31 -0.08 0.00 0.02 0.00 0.00 55.36 54.02 1m3i s GLN 108 Cb -0.09 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.31 1m3i s GLN 108 CO 0.00 -0.59 0.16 -0.51 -2.12 0.00 0.00 175.29 172.23 1m3i s LEU 109 N -3.04 4.40 -1.36 2.90 1.43 -0.72 -1.33 118.68 120.95 1m3i s LEU 109 Ca 0.25 0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 53.70 1m3i s LEU 109 Cb 0.01 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1m3i s LEU 109 CO 0.09 0.40 2.11 0.00 0.23 0.00 0.00 176.35 179.19 1m3i n ALA 110 N 1.97 4.92 -2.74 4.21 0.00 0.18 -4.55 120.51 124.49 1m3i n ALA 110 Ca -0.20 -3.80 -0.32 0.00 0.00 0.00 0.00 53.44 49.12 1m3i n ALA 110 Cb 0.55 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.36 1m3i n ALA 110 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1m3i s ASP 111 N 3.62 4.02 0.60 0.00 -4.77 -1.26 -4.27 116.67 114.61 1m3i s ASP 111 Ca 0.50 -1.66 0.37 0.00 -3.30 0.00 0.00 52.55 48.46 1m3i s ASP 111 Cb 0.12 0.52 1.86 0.00 -1.09 0.00 0.00 42.92 44.33 1m3i s ASP 111 CO -0.04 -0.86 2.18 0.11 0.70 0.00 0.00 175.17 177.26 1m3i h LYS 112 N 1.39 0.00 -0.11 2.11 1.57 -1.88 -1.95 116.57 117.71 1m3i h LYS 112 Ca -0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1m3i h LYS 112 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 1m3i h LYS 112 CO 0.73 0.03 0.03 0.00 -0.57 0.00 0.00 179.45 179.66 1m3i h ALA 113 N 1.97 0.14 -0.11 3.86 0.00 -1.92 0.21 119.26 123.41 1m3i h ALA 113 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1m3i h ALA 113 Cb 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1m3i h ALA 113 CO 0.00 -0.24 -0.15 1.25 0.00 0.00 0.00 179.25 180.11 1m3i h LEU 114 N -0.02 -0.47 -1.40 0.00 5.85 -1.45 0.02 115.31 117.84 1m3i h LEU 114 Ca 0.03 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.98 1m3i h LEU 114 Cb 0.23 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1m3i h LEU 114 CO -0.00 -0.20 0.55 0.58 -0.34 0.00 0.00 178.44 179.03 1m3i h VAL 115 N -0.20 0.82 -0.20 1.05 2.07 -1.14 0.13 116.25 118.79 1m3i h VAL 115 Ca 0.09 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1m3i h VAL 115 Cb 0.32 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1m3i h VAL 115 CO -0.23 0.11 0.10 -0.62 0.02 0.00 0.00 177.57 176.95 1m3i n GLU 116 N -4.53 1.47 -3.50 1.57 1.02 0.69 -4.84 120.64 112.52 1m3i n GLU 116 Ca 0.16 -0.69 -0.25 0.00 -0.02 0.00 0.00 57.16 56.36 1m3i n GLU 116 Cb 0.49 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.56 1m3i n GLU 116 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1m3i n ASN 117 N 0.13 -5.45 -2.75 1.62 4.13 0.44 -4.90 115.26 108.49 1m3i n ASN 117 Ca 0.11 -0.52 -0.08 0.00 1.68 0.00 0.00 54.58 55.78 1m3i n ASN 117 Cb 0.68 -4.36 0.05 0.00 -1.54 0.00 0.00 39.78 34.60 1m3i n ASN 117 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1m3i n ARG 118 N -4.45 0.73 -0.93 3.52 1.85 -0.58 -4.84 116.66 111.96 1m3i n ARG 118 Ca -0.02 -1.68 -0.30 0.00 -1.00 0.00 0.00 57.85 54.85 1m3i n ARG 118 Cb 0.56 -1.39 0.15 0.00 -1.05 0.00 0.00 32.46 30.73 1m3i n ARG 118 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1m3i s PRO 119 N 0.68 1.18 -0.36 2.89 0.04 -1.24 -3.75 135.00 134.43 1m3i s PRO 119 Ca 0.32 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 1m3i s PRO 119 Cb 0.22 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.99 1m3i s PRO 119 CO -0.23 -2.42 0.32 0.99 0.04 0.00 0.00 177.00 175.70 1m3i s THR 120 N -2.75 5.22 -0.09 1.26 2.01 -1.26 -4.83 115.64 115.20 1m3i s THR 120 Ca 0.65 -0.24 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 1m3i s THR 120 Cb -0.21 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1m3i s THR 120 CO 0.58 -0.15 0.73 -0.63 -0.69 0.00 0.00 174.62 174.46 1m3i s ILE 121 N 1.86 5.01 -0.31 1.82 -1.09 -1.26 -1.76 121.20 125.47 1m3i s ILE 121 Ca 0.08 1.48 -0.24 0.00 -2.23 0.00 0.00 60.65 59.74 1m3i s ILE 121 Cb -0.17 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1m3i s ILE 121 CO 0.11 0.20 0.84 -0.76 -1.23 0.00 0.00 174.94 174.10 1m3i s LEU 122 N 1.12 4.06 -0.41 2.97 1.43 0.28 -4.93 118.68 123.21 1m3i s LEU 122 Ca 0.38 0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 54.11 1m3i s LEU 122 Cb -0.18 -3.16 0.07 0.00 0.03 0.00 0.00 46.19 42.96 1m3i s LEU 122 CO 0.17 -0.67 0.24 -0.04 0.23 0.00 0.00 176.35 176.28 1m3i s MET 123 N 3.09 2.59 0.02 1.70 -1.94 -1.26 -4.45 119.30 119.05 1m3i s MET 123 Ca 0.35 -1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 52.89 1m3i s MET 123 Cb -0.14 -3.73 -0.02 0.00 2.01 0.00 0.00 34.83 32.95 1m3i s MET 123 CO 0.13 -0.92 -0.00 0.14 -0.01 0.00 0.00 175.02 174.37 1m3i s VAL 124 N 1.41 0.11 0.15 -6.03 -7.23 -1.26 -5.11 120.40 102.44 1m3i s VAL 124 Ca 0.03 -0.92 -0.31 0.00 -1.81 0.00 0.00 61.98 58.97 1m3i s VAL 124 Cb -0.22 -0.35 -0.10 0.00 0.56 0.00 0.00 36.38 36.26 1m3i s VAL 124 CO 0.02 -0.50 1.68 -0.75 -0.31 0.00 0.00 175.10 175.24 1m3i s LYS 125 N -1.57 4.17 0.34 4.82 2.20 -1.26 -4.95 119.74 123.49 1m3i s LYS 125 Ca -0.15 2.47 0.04 0.00 -0.36 0.00 0.00 55.97 57.97 1m3i s LYS 125 Cb -0.09 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1m3i s LYS 125 CO -0.01 -0.72 0.17 -0.98 -0.36 0.00 0.00 175.35 173.45 1m3i s ARG 126 N 1.82 1.72 0.57 4.03 1.70 -1.26 -2.35 118.95 125.18 1m3i s ARG 126 Ca 0.74 -2.00 -0.11 0.00 -0.47 0.00 0.00 55.73 53.90 1m3i s ARG 126 Cb -0.45 -0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 33.72 1m3i s ARG 126 CO 0.33 -0.49 0.97 0.15 -1.08 0.00 0.00 175.30 175.17 1m3i s LYS 127 N -3.72 3.64 0.97 3.89 1.02 0.16 -4.60 119.74 121.11 1m3i s LYS 127 Ca 0.33 0.66 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 1m3i s LYS 127 Cb 0.04 -2.15 0.18 0.00 -0.52 0.00 0.00 37.83 35.37 1m3i s LYS 127 CO 0.19 -0.45 1.10 -2.14 -0.92 0.00 0.00 175.35 173.13 1m3i s PRO 128 N -4.92 0.57 -0.05 -1.68 0.02 -1.01 -4.60 135.00 123.33 1m3i s PRO 128 Ca 0.54 1.25 -0.17 0.00 0.02 0.00 0.00 61.00 62.63 1m3i s PRO 128 Cb -0.11 -1.70 0.03 0.00 0.02 0.00 0.00 34.50 32.75 1m3i s PRO 128 CO 0.49 -2.84 0.39 -1.50 -0.33 0.00 0.00 177.00 173.21 1m3i s ILE 129 N -2.64 0.04 -0.09 2.83 2.07 -0.36 -4.92 121.20 118.12 1m3i s ILE 129 Ca 0.66 -0.29 -0.15 0.00 -1.41 0.00 0.00 60.65 59.47 1m3i s ILE 129 Cb -0.22 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1m3i s ILE 129 CO 0.60 -0.16 0.37 0.20 -1.91 0.00 0.00 174.94 174.04 1m3i s ASN 130 N -0.96 6.63 0.17 4.50 -0.87 -1.26 -0.39 114.94 122.76 1m3i s ASN 130 Ca -0.10 0.75 0.11 0.00 -1.57 0.00 0.00 52.86 52.05 1m3i s ASN 130 Cb -0.04 -2.23 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 1m3i s ASN 130 CO 0.04 0.18 -0.23 -0.51 -2.57 0.00 0.00 177.10 174.01 1m3i s ILE 131 N -0.15 2.43 -0.09 0.60 2.07 0.58 -1.10 121.20 125.54 1m3i s ILE 131 Ca 0.21 -1.89 -0.05 0.00 -1.41 0.00 0.00 60.65 57.51 1m3i s ILE 131 Cb -0.15 -2.14 0.04 0.00 0.13 0.00 0.00 42.46 40.34 1m3i s ILE 131 CO 0.09 -0.04 0.21 0.20 -1.91 0.00 0.00 174.94 173.49 1m3i s ASN 132 N -2.47 -0.21 0.05 4.50 -0.87 0.80 -1.20 114.94 115.53 1m3i s ASN 132 Ca 0.19 0.44 -0.04 0.00 -1.57 0.00 0.00 52.86 51.88 1m3i s ASN 132 Cb -0.09 0.36 -0.05 0.00 -0.02 0.00 0.00 41.25 41.45 1m3i s ASN 132 CO 0.09 -0.14 0.26 -0.51 -2.57 0.00 0.00 177.10 174.23 1m3i s ILE 133 N 0.93 5.32 -0.49 0.60 2.07 -1.13 -0.89 121.20 127.62 1m3i s ILE 133 Ca -0.07 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 1m3i s ILE 133 Cb -0.08 -3.59 0.47 0.00 0.13 0.00 0.00 42.46 39.39 1m3i s ILE 133 CO -0.06 0.23 1.67 -0.90 -1.91 0.00 0.00 174.94 173.98 1m3i n ASP 134 N 0.65 6.08 -4.77 4.50 3.85 -0.83 -4.82 116.55 121.22 1m3i n ASP 134 Ca -0.08 -3.77 -0.35 0.00 -0.71 0.00 0.00 54.79 49.88 1m3i n ASP 134 Cb 0.52 -0.71 0.01 0.00 -1.35 0.00 0.00 41.12 39.59 1m3i n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1m3i s LEU 135 N -3.68 3.71 0.77 -2.12 1.43 -1.26 -4.81 118.68 112.73 1m3i s LEU 135 Ca 0.58 2.25 -0.13 0.00 -1.03 0.00 0.00 54.13 55.79 1m3i s LEU 135 Cb 0.46 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 42.16 1m3i s LEU 135 CO 0.01 -1.36 1.16 -2.16 0.23 0.00 0.00 176.35 174.24 1m3i s PRO 136 N -3.31 1.96 -1.21 1.29 0.04 -1.26 -4.03 135.00 128.47 1m3i s PRO 136 Ca 0.74 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 1m3i s PRO 136 Cb -0.26 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1m3i s PRO 136 CO 0.29 -1.94 0.71 0.41 0.04 0.00 0.00 177.00 176.51 1m3i n GLY 137 N 0.02 -0.77 0.10 0.56 0.00 -1.26 -4.91 105.19 98.94 1m3i n GLY 137 Ca 0.12 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1m3i n GLY 137 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m3i n LEU 138 N -4.23 0.00 -4.69 0.99 7.94 -1.26 -5.07 117.00 110.68 1m3i n LEU 138 Ca -0.16 -0.29 -0.43 0.00 -1.11 0.00 0.00 56.01 54.02 1m3i n LEU 138 Cb 0.62 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.56 1m3i n LEU 138 CO 0.69 0.17 0.91 2.29 -1.11 0.00 0.00 177.39 180.34 1m3i n LYS 139 N 0.00 2.09 -1.01 1.96 2.85 -1.26 -0.61 118.16 122.18 1m3i n LYS 139 Ca 0.00 0.73 -0.00 0.00 -1.05 0.00 0.00 58.31 57.99 1m3i n LYS 139 Cb 0.53 -2.32 -0.00 0.00 -0.65 0.00 0.00 35.03 32.59 1m3i n LYS 139 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1m3i n GLY 140 N 1.07 0.40 0.00 2.58 0.00 -1.26 -4.69 105.19 103.29 1m3i n GLY 140 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1m3i n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m3i n GLU 141 N -2.05 0.00 0.15 1.61 1.02 -0.23 -4.92 120.64 116.22 1m3i n GLU 141 Ca -0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1m3i n GLU 141 Cb 0.13 -0.09 0.42 0.00 -0.02 0.00 0.00 31.44 31.88 1m3i n GLU 141 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1m3i h ASN 142 N 0.00 0.00 -3.12 1.62 -1.07 -1.14 -3.46 115.58 108.42 1m3i h ASN 142 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.78 1m3i h ASN 142 Cb 0.17 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.38 1m3i h ASN 142 CO 0.00 0.00 -0.31 -0.44 0.07 0.00 0.00 177.43 176.75 1m3i s SER 143 N -4.85 6.51 0.01 6.14 0.01 -1.26 -2.82 113.70 117.44 1m3i s SER 143 Ca 0.07 0.61 -0.05 0.00 1.31 0.00 0.00 55.95 57.90 1m3i s SER 143 Cb 0.10 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 1m3i s SER 143 CO 0.55 0.10 0.08 -0.51 0.41 0.00 0.00 173.24 173.88 1m3i s ILE 144 N -1.56 0.10 -0.20 1.44 2.07 -0.34 -5.00 121.20 117.71 1m3i s ILE 144 Ca 0.38 -0.80 -0.06 0.00 -1.41 0.00 0.00 60.65 58.76 1m3i s ILE 144 Cb -0.13 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 1m3i s ILE 144 CO 0.22 -0.44 0.04 -0.75 -1.91 0.00 0.00 174.94 172.10 1m3i s LYS 145 N -1.52 3.77 -0.36 3.50 2.20 -1.26 -0.31 119.74 125.76 1m3i s LYS 145 Ca -0.14 -0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 1m3i s LYS 145 Cb -0.08 -3.17 0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1m3i s LYS 145 CO 0.00 0.09 0.16 0.08 -0.36 0.00 0.00 175.35 175.33 1m3i s VAL 146 N 0.83 4.12 0.11 4.02 1.01 0.47 -4.95 120.40 126.00 1m3i s VAL 146 Ca 0.02 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1m3i s VAL 146 Cb -0.14 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1m3i s VAL 146 CO 0.02 -0.26 1.68 0.44 0.00 0.00 0.00 175.10 176.99 1m3i h ASP 147 N 8.32 -0.38 -3.23 3.32 3.32 -1.93 -0.96 116.42 124.88 1m3i h ASP 147 Ca -0.24 0.05 -0.62 0.00 0.02 0.00 0.00 57.03 56.25 1m3i h ASP 147 Cb 1.09 0.16 -0.41 0.00 0.22 0.00 0.00 39.33 40.38 1m3i h ASP 147 CO 0.65 -0.19 -0.66 -0.62 -1.72 0.00 0.00 179.24 176.70 1m3i s ASP 148 N -4.99 4.14 0.02 6.45 -1.08 -1.26 -2.40 116.67 117.55 1m3i s ASP 148 Ca -0.14 -3.49 -0.33 0.00 -0.52 0.00 0.00 52.55 48.06 1m3i s ASP 148 Cb 0.08 -1.40 -0.12 0.00 -1.46 0.00 0.00 42.92 40.02 1m3i s ASP 148 CO 0.66 -0.14 1.79 -0.81 0.52 0.00 0.00 175.17 177.20 1m3i n PRO 149 N 2.42 2.31 -3.83 4.34 -0.04 -1.26 -4.75 135.00 134.19 1m3i n PRO 149 Ca 0.18 0.84 -0.10 0.00 -0.04 0.00 0.00 63.50 64.38 1m3i n PRO 149 Cb 0.36 -2.68 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 1m3i n PRO 149 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1m3i s THR 150 N 2.96 0.04 0.12 0.52 -4.23 -1.26 -4.95 115.64 108.85 1m3i s THR 150 Ca 0.87 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.05 1m3i s THR 150 Cb -0.64 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 1m3i s THR 150 CO 0.45 -0.20 1.60 0.22 -0.54 0.00 0.00 174.62 176.15 1m3i h TYR 151 N 2.35 -1.04 -0.35 3.99 3.20 -1.94 0.35 116.97 123.53 1m3i h TYR 151 Ca -0.30 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.56 1m3i h TYR 151 Cb 1.25 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 39.96 1m3i h TYR 151 CO 0.37 -0.46 0.04 0.78 -1.64 0.00 0.00 178.16 177.26 1m3i h GLY 152 N -0.53 0.56 0.65 1.82 0.00 -1.97 -0.64 103.07 102.96 1m3i h GLY 152 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1m3i h GLY 152 CO -0.30 0.29 -0.08 0.50 0.00 0.00 0.00 176.54 176.95 1m3i h LYS 153 N 0.51 0.21 -0.42 4.80 1.79 -1.64 -2.81 116.57 119.01 1m3i h LYS 153 Ca 0.11 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1m3i h LYS 153 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1m3i h LYS 153 CO 0.00 0.63 0.01 0.28 -1.08 0.00 0.00 179.45 179.29 1m3i h VAL 154 N -0.21 1.26 -0.23 0.50 2.07 -0.23 -2.98 116.25 116.42 1m3i h VAL 154 Ca 0.01 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1m3i h VAL 154 Cb 0.59 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1m3i h VAL 154 CO 0.02 0.35 -0.25 0.28 0.02 0.00 0.00 177.57 177.99 1m3i h SER 155 N 0.58 -0.79 -0.47 0.57 0.02 -1.15 0.48 113.55 112.79 1m3i h SER 155 Ca 0.12 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 61.31 1m3i h SER 155 Cb 0.47 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1m3i h SER 155 CO 0.02 -0.29 0.33 1.23 -1.14 0.00 0.00 176.83 176.98 1m3i h GLY 156 N -0.26 0.26 0.75 -3.77 0.00 -1.47 0.24 103.07 98.81 1m3i h GLY 156 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1m3i h GLY 156 CO -0.38 0.04 -0.26 0.00 0.00 0.00 0.00 176.54 175.94 1m3i h ALA 157 N 1.76 -0.73 -0.40 3.60 0.00 -0.80 -1.37 119.26 121.32 1m3i h ALA 157 Ca 0.22 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1m3i h ALA 157 Cb 0.63 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1m3i h ALA 157 CO -0.04 -0.78 -0.30 0.82 0.00 0.00 0.00 179.25 178.95 1m3i h ILE 158 N -0.99 0.26 -0.89 0.00 2.04 -0.19 0.42 117.51 118.15 1m3i h ILE 158 Ca -0.07 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.03 1m3i h ILE 158 Cb 0.63 0.26 -0.14 0.00 -0.74 0.00 0.00 36.82 36.83 1m3i h ILE 158 CO 0.12 0.00 0.27 0.44 0.00 0.00 0.00 178.15 178.98 1m3i h ASP 159 N -0.23 0.05 0.89 1.72 5.19 -0.48 0.16 116.42 123.73 1m3i h ASP 159 Ca 0.18 0.20 -0.04 0.00 -0.62 0.00 0.00 57.03 56.74 1m3i h ASP 159 Cb 0.52 0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.29 1m3i h ASP 159 CO -0.53 -0.16 -0.45 -0.33 -3.12 0.00 0.00 179.24 174.66 1m3i h GLU 160 N 0.22 -1.18 -0.69 3.56 5.08 0.92 -1.43 114.58 121.06 1m3i h GLU 160 Ca 0.57 0.08 0.14 0.00 -1.00 0.00 0.00 59.36 59.15 1m3i h GLU 160 Cb 1.18 0.27 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 1m3i h GLU 160 CO -0.65 -0.79 -0.19 -0.07 -1.00 0.00 0.00 179.01 176.31 1m3i h LEU 161 N -1.22 -0.69 -0.37 1.33 3.38 0.93 0.45 115.31 119.12 1m3i h LEU 161 Ca -0.12 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1m3i h LEU 161 Cb 0.95 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 1m3i h LEU 161 CO 0.19 -0.24 0.11 0.58 0.09 0.00 0.00 178.44 179.17 1m3i h VAL 162 N -0.01 0.87 -0.56 1.22 2.07 -0.75 -0.61 116.25 118.48 1m3i h VAL 162 Ca 0.33 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1m3i h VAL 162 Cb 0.51 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1m3i h VAL 162 CO -0.72 0.05 0.25 0.28 0.02 0.00 0.00 177.57 177.45 1m3i h SER 163 N 0.25 0.72 -0.45 0.57 0.02 0.27 0.28 113.55 115.21 1m3i h SER 163 Ca 0.17 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1m3i h SER 163 Cb 0.16 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1m3i h SER 163 CO -0.19 0.63 0.28 0.50 -1.14 0.00 0.00 176.83 176.91 1m3i h LYS 164 N 0.79 0.61 0.22 3.45 3.64 0.10 0.52 116.57 125.90 1m3i h LYS 164 Ca 0.19 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1m3i h LYS 164 Cb 0.11 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1m3i h LYS 164 CO -0.02 0.43 -0.10 2.35 -2.27 0.00 0.00 179.45 179.83 1m3i h TRP 165 N 0.63 -0.27 -0.09 1.91 7.01 0.65 -2.33 115.95 123.46 1m3i h TRP 165 Ca 0.17 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.19 1m3i h TRP 165 Cb -0.03 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 1m3i h TRP 165 CO 0.00 0.11 0.33 -0.91 -2.79 0.00 0.00 178.44 175.18 1m3i h ASN 166 N -0.89 0.00 0.00 2.65 2.35 -0.22 0.96 115.58 120.43 1m3i h ASN 166 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1m3i h ASN 166 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1m3i h ASN 166 CO 0.05 0.00 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.65 1m3i h GLU 167 N 0.00 0.00 -0.55 0.81 4.57 -0.84 -3.31 114.58 115.27 1m3i h GLU 167 Ca 0.04 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1m3i h GLU 167 Cb 0.69 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1m3i h GLU 167 CO -0.00 0.43 0.37 -0.22 -1.18 0.00 0.00 179.01 178.41 1m3i h LYS 168 N -1.00 0.43 -3.85 1.92 3.64 -0.73 -3.33 116.57 113.65 1m3i h LYS 168 Ca -0.02 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.70 1m3i h LYS 168 Cb 0.48 -0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 31.80 1m3i h LYS 168 CO -0.01 0.28 -0.70 0.71 -2.27 0.00 0.00 179.45 177.46 1m3i s TYR 169 N -5.41 3.02 -0.13 1.91 1.51 0.24 -4.95 117.35 113.53 1m3i s TYR 169 Ca -0.08 -2.80 0.19 0.00 -1.01 0.00 0.00 57.07 53.37 1m3i s TYR 169 Cb 0.19 -2.57 -0.17 0.00 -0.11 0.00 0.00 41.96 39.30 1m3i s TYR 169 CO 0.74 -0.85 0.67 0.43 -1.11 0.00 0.00 175.55 175.43 1m3i n SER 170 N 3.85 0.57 0.16 2.29 7.64 -1.25 -4.51 113.62 122.38 1m3i n SER 170 Ca 0.04 0.24 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1m3i n SER 170 Cb 0.38 0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 64.17 1m3i n SER 170 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1m3i h SER 171 N 0.00 -0.60 -4.01 6.43 0.02 -1.92 -3.43 113.55 110.03 1m3i h SER 171 Ca -0.18 0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 60.14 1m3i h SER 171 Cb 1.51 0.21 -0.23 0.00 0.14 0.00 0.00 62.40 64.03 1m3i h SER 171 CO 0.03 -0.33 -0.87 -0.89 -1.14 0.00 0.00 176.83 173.63 1m3i s THR 172 N -6.09 2.21 -0.07 -2.27 2.01 -1.26 -5.03 115.64 105.15 1m3i s THR 172 Ca -0.16 -1.66 0.10 0.00 0.31 0.00 0.00 61.69 60.28 1m3i s THR 172 Cb 0.07 -1.94 0.15 0.00 0.01 0.00 0.00 72.50 70.78 1m3i s THR 172 CO 0.65 0.15 1.04 0.00 -0.69 0.00 0.00 174.62 175.77 1m3i n HIS 173 N 1.13 0.00 -4.45 4.92 1.44 -1.26 -4.96 115.22 112.03 1m3i n HIS 173 Ca -0.18 -0.64 -0.22 0.00 -2.01 0.00 0.00 57.72 54.68 1m3i n HIS 173 Cb 0.53 -0.10 -0.16 0.00 0.12 0.00 0.00 29.99 30.38 1m3i n HIS 173 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1m3i s THR 174 N -1.73 0.89 0.22 0.61 -4.23 -1.26 0.74 115.64 110.88 1m3i s THR 174 Ca 0.17 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1m3i s THR 174 Cb 0.15 -0.81 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1m3i s THR 174 CO 0.02 0.28 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.56 1m3i s LEU 175 N 0.34 2.40 0.26 4.79 1.43 0.09 -4.95 118.68 123.05 1m3i s LEU 175 Ca -0.06 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 51.61 1m3i s LEU 175 Cb -0.11 -0.44 -0.09 0.00 0.03 0.00 0.00 46.19 45.58 1m3i s LEU 175 CO 0.01 -0.37 1.15 -2.84 0.23 0.00 0.00 176.35 174.52 1m3i s PRO 176 N -3.77 4.57 0.42 1.29 0.02 -1.26 -0.44 135.00 135.83 1m3i s PRO 176 Ca 0.25 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 1m3i s PRO 176 Cb 0.03 -3.19 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 1m3i s PRO 176 CO 0.07 0.10 0.80 0.00 -0.33 0.00 0.00 177.00 177.64 1m3i s ALA 177 N -0.92 3.30 -0.64 -1.55 0.00 -0.54 -4.81 121.76 116.60 1m3i s ALA 177 Ca 0.47 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1m3i s ALA 177 Cb -0.33 -2.77 0.13 0.00 0.00 0.00 0.00 23.12 20.15 1m3i s ALA 177 CO 0.42 -0.03 0.70 1.03 0.00 0.00 0.00 175.76 177.88 1m3i s ARG 178 N -3.84 3.15 0.25 0.00 0.52 0.66 -4.89 118.95 114.79 1m3i s ARG 178 Ca 0.52 -1.58 -0.22 0.00 -0.52 0.00 0.00 55.73 53.94 1m3i s ARG 178 Cb -0.10 -4.34 -0.09 0.00 0.52 0.00 0.00 34.95 30.94 1m3i s ARG 178 CO 0.31 -1.49 0.79 0.99 0.02 0.00 0.00 175.30 175.92 1m3i s THR 179 N 2.14 4.46 -0.19 0.02 2.01 -1.25 -1.81 115.64 121.02 1m3i s THR 179 Ca 0.12 1.46 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 1m3i s THR 179 Cb -0.22 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.42 1m3i s THR 179 CO 0.02 0.20 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.00 1m3i s GLN 180 N -1.96 1.56 0.13 4.92 -0.21 0.21 -4.93 119.66 119.37 1m3i s GLN 180 Ca 0.45 -0.66 -0.21 0.00 0.02 0.00 0.00 55.36 54.95 1m3i s GLN 180 Cb -0.17 -2.20 -0.07 0.00 1.00 0.00 0.00 33.01 31.56 1m3i s GLN 180 CO 0.22 -0.47 0.66 -0.47 -2.12 0.00 0.00 175.29 173.11 1m3i s TYR 181 N 1.55 3.83 -0.00 0.91 5.04 -1.26 -0.90 117.35 126.51 1m3i s TYR 181 Ca -0.01 1.42 -0.06 0.00 -2.44 0.00 0.00 57.07 55.98 1m3i s TYR 181 Cb -0.16 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.54 1m3i s TYR 181 CO -0.08 0.53 0.11 -1.12 -1.34 0.00 0.00 175.55 173.66 1m3i s SER 182 N -1.20 0.03 0.07 4.32 0.01 -0.77 -4.98 113.70 111.18 1m3i s SER 182 Ca 0.33 -0.17 -0.17 0.00 1.31 0.00 0.00 55.95 57.25 1m3i s SER 182 Cb -0.20 0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.26 1m3i s SER 182 CO 0.22 -0.30 0.41 -1.83 0.41 0.00 0.00 173.24 172.14 1m3i s GLU 183 N -1.14 0.98 0.00 12.44 -1.05 -1.26 -0.72 118.70 127.95 1m3i s GLU 183 Ca -0.12 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1m3i s GLU 183 Cb -0.07 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 1m3i s GLU 183 CO 0.01 -0.35 0.00 0.45 0.95 0.00 0.00 175.26 176.32 1m3i n SER 184 N 0.22 0.00 -4.84 0.83 2.88 -0.79 -4.97 113.62 106.96 1m3i n SER 184 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 1m3i n SER 184 Cb 0.61 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.02 1m3i n SER 184 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1m3i s MET 185 N -2.00 4.03 -0.27 -1.46 -1.94 -1.26 -1.08 119.30 115.32 1m3i s MET 185 Ca 0.00 0.95 -0.11 0.00 -1.71 0.00 0.00 55.69 54.82 1m3i s MET 185 Cb 0.00 -2.19 -0.05 0.00 2.01 0.00 0.00 34.83 34.60 1m3i s MET 185 CO 0.00 -0.14 0.19 0.08 -0.01 0.00 0.00 175.02 175.14 1m3i s VAL 186 N -2.42 5.31 -0.09 -6.03 1.01 0.03 -4.78 120.40 113.44 1m3i s VAL 186 Ca 0.59 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1m3i s VAL 186 Cb -0.10 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1m3i s VAL 186 CO 0.24 0.26 -0.05 -1.22 0.00 0.00 0.00 175.10 174.33 1m3i n TYR 187 N 4.97 0.00 -3.78 5.22 4.02 -1.26 -4.67 117.16 121.66 1m3i n TYR 187 Ca -0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.67 1m3i n TYR 187 Cb 0.52 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 1m3i n TYR 187 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1m3i s SER 188 N -4.63 -0.31 0.08 7.72 1.04 -1.26 -4.68 113.70 111.66 1m3i s SER 188 Ca -0.10 -0.50 -0.34 0.00 0.48 0.00 0.00 55.95 55.49 1m3i s SER 188 Cb 0.03 0.70 -0.17 0.00 0.10 0.00 0.00 66.02 66.68 1m3i s SER 188 CO 0.26 -1.27 1.60 0.11 0.98 0.00 0.00 173.24 174.92 1m3i h LYS 189 N 2.01 -0.90 -0.30 4.02 1.57 -1.98 -1.55 116.57 119.43 1m3i h LYS 189 Ca -0.22 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1m3i h LYS 189 Cb 1.26 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 1m3i h LYS 189 CO 0.26 -0.60 0.00 0.66 -0.57 0.00 0.00 179.45 179.20 1m3i h SER 190 N -0.94 0.43 0.29 0.86 4.64 -1.98 0.31 113.55 117.17 1m3i h SER 190 Ca -0.07 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1m3i h SER 190 Cb 0.77 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1m3i h SER 190 CO 0.05 0.49 -0.14 -0.61 -0.87 0.00 0.00 176.83 175.75 1m3i h GLN 191 N 0.44 -0.37 -0.82 4.77 -0.00 -1.85 -2.42 115.11 114.86 1m3i h GLN 191 Ca 0.10 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1m3i h GLN 191 Cb 0.29 0.09 -0.05 0.00 0.00 0.00 0.00 27.48 27.81 1m3i h GLN 191 CO 0.01 -0.25 0.53 0.97 0.00 0.00 0.00 178.83 180.09 1m3i h ILE 192 N -0.42 1.16 -0.76 2.39 6.09 -1.30 0.74 117.51 125.41 1m3i h ILE 192 Ca -0.04 -0.36 0.13 0.00 -1.37 0.00 0.00 64.86 63.22 1m3i h ILE 192 Cb 0.30 0.01 -0.09 0.00 0.47 0.00 0.00 36.82 37.52 1m3i h ILE 192 CO 0.07 0.19 0.34 -1.28 -3.07 0.00 0.00 178.15 174.40 1m3i h SER 193 N 1.05 0.38 0.62 2.19 0.87 -0.97 -1.35 113.55 116.34 1m3i h SER 193 Ca 0.32 0.09 -0.28 0.00 -1.23 0.00 0.00 61.79 60.69 1m3i h SER 193 Cb -0.04 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1m3i h SER 193 CO -0.10 0.18 -1.33 0.77 -0.53 0.00 0.00 176.83 175.82 1m3i h SER 194 N 0.52 0.33 -0.21 6.23 4.64 -1.00 0.11 113.55 124.18 1m3i h SER 194 Ca 0.40 -0.39 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1m3i h SER 194 Cb 0.55 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1m3i h SER 194 CO -0.35 1.32 -0.06 0.00 -0.87 0.00 0.00 176.83 176.86 1m3i h ALA 195 N 0.63 0.12 -0.02 5.18 0.00 -0.12 -2.40 119.26 122.66 1m3i h ALA 195 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1m3i h ALA 195 Cb 1.96 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1m3i h ALA 195 CO 0.17 -0.49 -0.01 1.28 0.00 0.00 0.00 179.25 180.21 1m3i n LEU 196 N -5.21 2.23 -3.63 0.00 4.77 -0.58 -4.97 117.00 109.61 1m3i n LEU 196 Ca -0.02 -0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 55.00 1m3i n LEU 196 Cb 0.14 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1m3i n LEU 196 CO 0.23 0.37 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.42 1m3i n ASN 197 N 0.74 -2.41 -4.11 -1.43 4.05 -0.42 -5.00 115.26 106.67 1m3i n ASN 197 Ca 0.16 -0.82 -0.13 0.00 0.45 0.00 0.00 54.58 54.24 1m3i n ASN 197 Cb 0.48 -4.16 -0.11 0.00 1.23 0.00 0.00 39.78 37.21 1m3i n ASN 197 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1m3i s VAL 198 N -3.59 0.65 0.00 3.44 -7.23 0.24 -4.64 120.40 109.27 1m3i s VAL 198 Ca 0.12 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 1m3i s VAL 198 Cb -0.03 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.86 1m3i s VAL 198 CO 0.81 -0.52 1.40 0.21 -0.31 0.00 0.00 175.10 176.69 1m3i s ASN 199 N -2.07 6.85 0.27 4.85 3.84 -1.26 -4.51 114.94 122.91 1m3i s ASN 199 Ca -0.02 2.12 -0.01 0.00 0.21 0.00 0.00 52.86 55.16 1m3i s ASN 199 Cb -0.05 -2.56 0.60 0.00 -0.55 0.00 0.00 41.25 38.68 1m3i s ASN 199 CO -0.01 -0.72 1.65 0.00 -2.79 0.00 0.00 177.10 175.23 1m3i h ALA 200 N 7.81 1.10 -0.66 1.71 0.00 -1.88 -0.01 119.26 127.33 1m3i h ALA 200 Ca -0.38 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1m3i h ALA 200 Cb 1.18 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1m3i h ALA 200 CO 0.90 -0.43 0.35 0.87 0.00 0.00 0.00 179.25 180.95 1m3i h LYS 201 N 0.20 0.63 -0.44 0.00 1.79 -1.97 -1.29 116.57 115.48 1m3i h LYS 201 Ca 0.49 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 59.01 1m3i h LYS 201 Cb 0.94 -0.14 -0.10 0.00 -1.58 0.00 0.00 32.23 31.35 1m3i h LYS 201 CO -0.63 0.42 -0.30 0.28 -1.08 0.00 0.00 179.45 178.14 1m3i h VAL 202 N 0.65 0.26 0.21 0.50 2.07 -1.38 0.85 116.25 119.40 1m3i h VAL 202 Ca 0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 1m3i h VAL 202 Cb 0.22 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1m3i h VAL 202 CO -0.20 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.22 1m3i h LEU 203 N -0.21 -0.24 -1.47 2.57 3.38 -1.44 0.16 115.31 118.07 1m3i h LEU 203 Ca 0.19 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.26 1m3i h LEU 203 Cb 0.52 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1m3i h LEU 203 CO -0.56 -0.01 0.63 -0.08 0.09 0.00 0.00 178.44 178.52 1m3i h GLU 204 N -0.46 0.38 0.00 1.13 4.81 -0.39 0.44 114.58 120.50 1m3i h GLU 204 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1m3i h GLU 204 Cb 0.35 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1m3i h GLU 204 CO 0.05 0.25 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.59 1m3i h ASN 205 N 0.39 0.00 0.18 1.04 4.21 0.10 -2.82 115.58 118.69 1m3i h ASN 205 Ca 0.52 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.02 1m3i h ASN 205 Cb 1.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.53 1m3i h ASN 205 CO -0.21 0.32 -0.09 0.28 -1.29 0.00 0.00 177.43 176.44 1m3i h SER 206 N -0.56 -0.21 1.23 5.81 0.02 -0.61 -3.13 113.55 116.09 1m3i h SER 206 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1m3i h SER 206 Cb 0.08 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1m3i h SER 206 CO 0.00 0.07 -0.24 0.18 -1.14 0.00 0.00 176.83 175.70 1m3i n LEU 207 N -5.09 0.76 -3.27 5.07 4.77 0.13 -4.97 117.00 114.40 1m3i n LEU 207 Ca -0.09 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1m3i n LEU 207 Cb 0.21 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1m3i n LEU 207 CO 0.33 -0.13 0.16 0.61 -1.33 0.00 0.00 177.39 177.03 1m3i n GLY 208 N 1.32 -1.22 3.68 -0.72 0.00 0.34 -4.93 105.19 103.66 1m3i n GLY 208 Ca 0.05 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 1m3i n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m3i s VAL 209 N -3.11 5.02 -1.29 1.61 1.01 -1.20 -4.97 120.40 117.47 1m3i s VAL 209 Ca 0.12 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1m3i s VAL 209 Cb -0.03 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.50 1m3i s VAL 209 CO 0.78 0.15 1.76 -0.67 0.00 0.00 0.00 175.10 177.12 1m3i n ASP 210 N 4.69 4.89 0.30 3.32 -0.08 -1.26 -4.77 116.55 123.65 1m3i n ASP 210 Ca -0.01 -2.98 0.17 0.00 -1.51 0.00 0.00 54.79 50.46 1m3i n ASP 210 Cb 0.50 -1.60 0.87 0.00 2.34 0.00 0.00 41.12 43.23 1m3i n ASP 210 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1m3i h PHE 211 N 6.65 0.00 0.13 -0.67 -1.00 -1.99 -2.10 116.94 117.96 1m3i h PHE 211 Ca 0.41 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.19 1m3i h PHE 211 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1m3i h PHE 211 CO 1.28 0.00 -0.06 -0.97 -1.61 0.00 0.00 178.31 176.94 1m3i h ASN 212 N 0.00 -0.15 -0.85 2.17 -1.24 -1.99 -1.60 115.58 111.92 1m3i h ASN 212 Ca 0.03 0.01 0.22 0.00 0.71 0.00 0.00 56.30 57.26 1m3i h ASN 212 Cb 0.60 0.04 -0.14 0.00 0.73 0.00 0.00 38.32 39.55 1m3i h ASN 212 CO -0.00 0.11 0.19 0.00 -1.29 0.00 0.00 177.43 176.44 1m3i h ALA 213 N -1.48 1.16 -0.22 1.57 0.00 -1.89 1.28 119.26 119.68 1m3i h ALA 213 Ca -0.02 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1m3i h ALA 213 Cb 0.14 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1m3i h ALA 213 CO 0.03 -0.45 -0.23 0.28 0.00 0.00 0.00 179.25 178.88 1m3i h VAL 214 N 0.19 0.42 -0.28 0.00 2.07 -1.47 0.19 116.25 117.38 1m3i h VAL 214 Ca 0.52 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.08 1m3i h VAL 214 Cb 1.02 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1m3i h VAL 214 CO -0.65 0.00 0.05 0.00 0.02 0.00 0.00 177.57 176.99 1m3i h ALA 215 N 0.81 0.29 0.00 1.67 0.00 0.24 -0.36 119.26 121.90 1m3i h ALA 215 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1m3i h ALA 215 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1m3i h ALA 215 CO -0.36 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 178.62 1m3i n ASN 216 N -5.09 0.00 -3.77 0.00 3.02 0.13 -4.84 115.26 104.71 1m3i n ASN 216 Ca -0.01 -1.52 -0.25 0.00 -0.03 0.00 0.00 54.58 52.78 1m3i n ASN 216 Cb 0.12 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1m3i n ASN 216 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1m3i n ASN 217 N -0.51 -2.76 -0.16 6.41 2.85 -0.15 -4.86 115.26 116.08 1m3i n ASN 217 Ca 0.00 -0.79 0.06 0.00 -0.11 0.00 0.00 54.58 53.75 1m3i n ASN 217 Cb 0.00 -4.07 -0.03 0.00 1.24 0.00 0.00 39.78 36.92 1m3i n ASN 217 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1m3i n GLU 218 N -4.46 2.41 -3.86 1.20 1.02 0.51 -4.96 120.64 112.50 1m3i n GLU 218 Ca -0.16 -0.38 -0.11 0.00 -0.02 0.00 0.00 57.16 56.48 1m3i n GLU 218 Cb 0.62 -1.12 -0.11 0.00 -0.02 0.00 0.00 31.44 30.81 1m3i n GLU 218 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1m3i s LYS 219 N -1.83 0.40 -0.20 3.49 1.02 -1.23 -4.69 119.74 116.69 1m3i s LYS 219 Ca 0.08 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 1m3i s LYS 219 Cb 0.10 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.58 1m3i s LYS 219 CO 0.40 -0.09 -0.12 0.15 -0.92 0.00 0.00 175.35 174.76 1m3i s LYS 220 N -1.01 3.11 -0.03 1.68 -0.14 0.35 -4.50 119.74 119.20 1m3i s LYS 220 Ca -0.11 -0.77 0.04 0.00 -1.36 0.00 0.00 55.97 53.77 1m3i s LYS 220 Cb -0.06 -2.78 -0.01 0.00 -1.68 0.00 0.00 37.83 33.30 1m3i s LYS 220 CO 0.01 -0.23 -0.15 0.08 -0.76 0.00 0.00 175.35 174.30 1m3i s VAL 221 N 1.36 1.24 -0.05 3.17 1.01 -1.26 -1.00 120.40 124.88 1m3i s VAL 221 Ca 0.05 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1m3i s VAL 221 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1m3i s VAL 221 CO -0.08 0.36 -0.16 -0.32 0.00 0.00 0.00 175.10 174.90 1m3i s MET 222 N -0.12 1.70 -0.04 2.72 1.75 0.17 -0.79 119.30 124.70 1m3i s MET 222 Ca 0.01 -0.55 0.06 0.00 -1.25 0.00 0.00 55.69 53.96 1m3i s MET 222 Cb -0.09 -1.47 -0.02 0.00 2.84 0.00 0.00 34.83 36.09 1m3i s MET 222 CO 0.01 0.19 -0.21 0.42 -0.65 0.00 0.00 175.02 174.78 1m3i s ILE 223 N 0.17 2.48 0.11 10.11 1.01 -0.24 0.19 121.20 135.03 1m3i s ILE 223 Ca -0.06 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.75 1m3i s ILE 223 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1m3i s ILE 223 CO 0.02 0.58 -0.26 -0.76 0.00 0.00 0.00 174.94 174.53 1m3i s LEU 224 N -0.63 2.32 -0.08 2.97 1.43 0.13 -1.88 118.68 122.94 1m3i s LEU 224 Ca 0.10 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1m3i s LEU 224 Cb -0.10 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.88 1m3i s LEU 224 CO -0.00 0.20 -0.00 0.00 0.23 0.00 0.00 176.35 176.78 1m3i s ALA 225 N -1.01 0.75 -0.74 4.21 0.00 0.10 -1.29 121.76 123.79 1m3i s ALA 225 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 1m3i s ALA 225 Cb -0.10 -0.77 0.19 0.00 0.00 0.00 0.00 23.12 22.44 1m3i s ALA 225 CO 0.05 -0.48 0.65 0.71 0.00 0.00 0.00 175.76 176.69 1m3i s TYR 226 N 1.95 3.63 -0.12 0.00 1.51 0.14 -1.84 117.35 122.62 1m3i s TYR 226 Ca 0.05 -2.13 -0.29 0.00 -1.01 0.00 0.00 57.07 53.68 1m3i s TYR 226 Cb -0.12 -3.65 -0.02 0.00 -0.11 0.00 0.00 41.96 38.06 1m3i s TYR 226 CO -0.06 -0.95 1.26 0.21 -1.11 0.00 0.00 175.55 174.90 1m3i s LYS 227 N 0.24 4.27 -0.32 -0.62 2.20 -0.08 -1.89 119.74 123.53 1m3i s LYS 227 Ca 0.16 1.70 0.01 0.00 -0.36 0.00 0.00 55.97 57.48 1m3i s LYS 227 Cb -0.15 -3.70 0.08 0.00 -1.51 0.00 0.00 37.83 32.56 1m3i s LYS 227 CO -0.06 -0.62 0.03 -0.65 -0.36 0.00 0.00 175.35 173.68 1m3i s GLN 228 N 3.06 2.00 -0.08 4.03 -0.21 0.35 0.66 119.66 129.47 1m3i s GLN 228 Ca 0.56 -1.59 -0.17 0.00 0.02 0.00 0.00 55.36 54.19 1m3i s GLN 228 Cb -0.23 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 1m3i s GLN 228 CO 0.18 -0.80 0.44 0.42 -2.12 0.00 0.00 175.29 173.41 1m3i s ILE 229 N 1.08 5.14 -0.21 1.08 1.01 -0.75 -1.46 121.20 127.09 1m3i s ILE 229 Ca 0.02 0.88 -0.18 0.00 0.00 0.00 0.00 60.65 61.37 1m3i s ILE 229 Cb -0.20 -3.77 -0.19 0.00 0.01 0.00 0.00 42.46 38.31 1m3i s ILE 229 CO -0.05 0.41 0.15 0.49 0.00 0.00 0.00 174.94 175.94 1m3i n PHE 230 N 3.07 0.89 -3.82 3.97 3.72 0.83 -0.25 117.46 125.88 1m3i n PHE 230 Ca -0.10 0.35 -0.05 0.00 -0.05 0.00 0.00 57.45 57.59 1m3i n PHE 230 Cb 0.52 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.96 1m3i n PHE 230 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1m3i s TYR 231 N -2.42 -0.03 0.10 1.38 1.13 -1.21 -4.84 117.35 111.46 1m3i s TYR 231 Ca -0.29 -0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 54.93 1m3i s TYR 231 Cb 0.07 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.62 1m3i s TYR 231 CO 0.60 -1.13 0.05 0.95 -2.51 0.00 0.00 175.55 173.51 1m3i s THR 232 N -2.93 0.15 -0.03 -3.49 -4.23 -1.26 -1.52 115.64 102.33 1m3i s THR 232 Ca 0.15 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1m3i s THR 232 Cb -0.04 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.04 1m3i s THR 232 CO 0.06 -0.68 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.72 1m3i s VAL 233 N -3.98 0.51 0.24 2.29 1.01 -0.58 -1.96 120.40 117.93 1m3i s VAL 233 Ca 0.15 -0.18 0.12 0.00 0.00 0.00 0.00 61.98 62.07 1m3i s VAL 233 Cb 0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1m3i s VAL 233 CO -0.04 0.19 -0.22 -0.94 0.00 0.00 0.00 175.10 174.09 1m3i s SER 234 N 0.48 3.48 -0.25 3.32 1.04 -0.07 -1.07 113.70 120.63 1m3i s SER 234 Ca -0.06 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.44 1m3i s SER 234 Cb -0.10 -0.27 0.05 0.00 0.10 0.00 0.00 66.02 65.80 1m3i s SER 234 CO -0.00 0.07 -0.12 0.00 0.98 0.00 0.00 173.24 174.17 1m3i s ALA 235 N -2.13 2.54 0.11 5.32 0.00 -0.45 -0.14 121.76 127.00 1m3i s ALA 235 Ca 0.25 -1.65 -0.35 0.00 0.00 0.00 0.00 51.96 50.21 1m3i s ALA 235 Cb -0.06 -1.53 -0.18 0.00 0.00 0.00 0.00 23.12 21.35 1m3i s ALA 235 CO 0.12 -1.03 0.97 -0.25 0.00 0.00 0.00 175.76 175.57 1m3i n ASP 236 N 4.48 0.14 -4.74 0.00 8.00 -0.26 -4.86 116.55 119.31 1m3i n ASP 236 Ca -0.15 1.15 -0.41 0.00 0.71 0.00 0.00 54.79 56.08 1m3i n ASP 236 Cb 0.44 -1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 40.47 1m3i n ASP 236 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m3i s LEU 237 N 0.99 4.52 0.40 0.64 1.43 -1.26 -4.80 118.68 120.61 1m3i s LEU 237 Ca 0.78 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.83 1m3i s LEU 237 Cb -1.04 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 41.47 1m3i s LEU 237 CO 0.55 -0.16 0.86 -2.16 0.23 0.00 0.00 176.35 175.67 1m3i s PRO 238 N -0.75 4.06 0.18 1.29 0.04 -1.26 -4.98 135.00 133.58 1m3i s PRO 238 Ca 0.47 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 1m3i s PRO 238 Cb -0.30 -2.29 0.09 0.00 0.04 0.00 0.00 34.50 32.04 1m3i s PRO 238 CO 0.36 0.01 1.79 -0.22 0.04 0.00 0.00 177.00 178.99 1m3i h LYS 239 N 1.85 0.85 -4.03 4.56 1.63 -1.98 -3.44 116.57 116.00 1m3i h LYS 239 Ca -0.48 -0.10 -0.22 0.00 -0.85 0.00 0.00 60.65 59.00 1m3i h LYS 239 Cb 1.18 -0.17 -0.24 0.00 -0.60 0.00 0.00 32.23 32.40 1m3i h LYS 239 CO 0.63 0.65 -0.72 -0.80 -3.45 0.00 0.00 179.45 175.76 1m3i s ASN 240 N -5.92 0.30 0.26 4.20 0.01 -1.26 -5.05 114.94 107.48 1m3i s ASN 240 Ca -0.13 -0.32 -0.04 0.00 -0.71 0.00 0.00 52.86 51.67 1m3i s ASN 240 Cb 0.13 0.04 0.51 0.00 0.41 0.00 0.00 41.25 42.35 1m3i s ASN 240 CO 0.78 -0.16 1.38 -2.65 -1.51 0.00 0.00 177.10 174.94 1m3i n PRO 241 N 2.16 -0.08 -0.34 -0.60 -0.02 -1.26 -0.25 135.00 134.62 1m3i n PRO 241 Ca -0.19 1.36 0.23 0.00 -2.02 0.00 0.00 63.50 62.88 1m3i n PRO 241 Cb 0.57 -2.08 0.46 0.00 -0.02 0.00 0.00 33.50 32.42 1m3i n PRO 241 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1m3i h SER 242 N 0.00 0.53 0.00 2.55 4.64 -1.91 0.36 113.55 119.71 1m3i h SER 242 Ca 0.47 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1m3i h SER 242 Cb 0.83 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1m3i h SER 242 CO -0.88 -0.10 0.18 0.44 -0.87 0.00 0.00 176.83 175.60 1m3i h ASP 243 N 0.36 0.00 0.07 4.97 3.32 -1.04 -1.78 116.42 122.33 1m3i h ASP 243 Ca 0.72 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.55 1m3i h ASP 243 Cb 1.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 1m3i h ASP 243 CO -0.59 0.00 -1.11 -0.07 -1.72 0.00 0.00 179.24 175.75 1m3i h LEU 244 N 0.00 0.24-10.23 1.55 3.38 -0.43 -3.41 115.31 106.41 1m3i h LEU 244 Ca 0.00 -0.81 -0.49 0.00 0.09 0.00 0.00 57.88 56.67 1m3i h LEU 244 Cb 0.36 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.05 1m3i h LEU 244 CO 0.00 1.48 -0.02 -0.36 0.09 0.00 0.00 178.44 179.62 1m3i s PHE 245 N -2.41 3.52 1.04 1.13 0.40 -0.67 0.38 117.98 121.37 1m3i s PHE 245 Ca -0.21 0.67 -0.16 0.00 -0.60 0.00 0.00 56.93 56.63 1m3i s PHE 245 Cb 0.03 -2.16 0.21 0.00 0.51 0.00 0.00 43.02 41.61 1m3i s PHE 245 CO 0.72 -0.06 1.17 0.34 0.70 0.00 0.00 175.22 178.08 1m3i s ASP 246 N -3.83 2.41 0.14 1.36 2.15 -0.99 -4.16 116.67 113.74 1m3i s ASP 246 Ca 0.45 0.71 0.01 0.00 0.43 0.00 0.00 52.55 54.15 1m3i s ASP 246 Cb -0.10 -1.05 -0.10 0.00 -0.30 0.00 0.00 42.92 41.37 1m3i s ASP 246 CO 0.38 -3.21 1.31 0.44 -0.17 0.00 0.00 175.17 173.92 1m3i h ASP 247 N -1.96 0.27 0.00 -0.34 3.32 -1.92 -3.16 116.42 112.64 1m3i h ASP 247 Ca -0.48 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1m3i h ASP 247 Cb 1.30 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1m3i h ASP 247 CO 0.46 1.09 0.08 -1.54 -1.72 0.00 0.00 179.24 177.61 1m3i n SER 248 N -3.59 0.49 -4.80 6.45 3.41 -1.26 -4.62 113.62 109.70 1m3i n SER 248 Ca -0.04 0.70 -0.38 0.00 -0.26 0.00 0.00 58.87 58.89 1m3i n SER 248 Cb 0.87 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1m3i n SER 248 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1m3i s VAL 249 N -3.48 4.87 0.19 -3.33 1.01 -1.20 -5.09 120.40 113.38 1m3i s VAL 249 Ca -0.02 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1m3i s VAL 249 Cb 0.05 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1m3i s VAL 249 CO 0.17 0.53 -0.16 0.42 0.00 0.00 0.00 175.10 176.06 1m3i s THR 250 N -0.85 1.77 0.38 3.92 -4.23 -1.26 -4.73 115.64 110.64 1m3i s THR 250 Ca 0.28 -2.07 0.12 0.00 -1.18 0.00 0.00 61.69 58.84 1m3i s THR 250 Cb -0.18 -1.93 0.34 0.00 1.34 0.00 0.00 72.50 72.07 1m3i s THR 250 CO 0.17 -0.46 1.87 0.15 -0.54 0.00 0.00 174.62 175.81 1m3i h PHE 251 N 2.89 0.68 -0.02 3.99 3.57 -1.57 0.12 116.94 126.60 1m3i h PHE 251 Ca -0.40 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.13 1m3i h PHE 251 Cb 1.21 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1m3i h PHE 251 CO 0.70 0.23 0.02 -0.91 -2.23 0.00 0.00 178.31 176.12 1m3i h ASN 252 N 0.56 0.00 0.24 0.41 2.35 -1.91 0.90 115.58 118.13 1m3i h ASN 252 Ca 0.44 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.18 1m3i h ASN 252 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1m3i h ASN 252 CO -0.19 0.00 -0.12 0.44 -1.65 0.00 0.00 177.43 175.92 1m3i h ASP 253 N 0.00 -0.27 0.04 5.81 3.32 -1.33 0.13 116.42 124.11 1m3i h ASP 253 Ca 0.01 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.85 1m3i h ASP 253 Cb 0.05 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1m3i h ASP 253 CO -0.00 0.13 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.42 1m3i h LEU 254 N -0.73 -0.45 -2.46 1.55 3.38 -1.17 0.71 115.31 116.14 1m3i h LEU 254 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1m3i h LEU 254 Cb 0.49 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1m3i h LEU 254 CO 0.05 -0.22 0.00 0.50 0.09 0.00 0.00 178.44 178.86 1m3i h LYS 255 N -0.28 0.00 0.07 1.13 3.64 0.78 0.84 116.57 122.75 1m3i h LYS 255 Ca 0.04 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.19 1m3i h LYS 255 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1m3i h LYS 255 CO -0.13 0.00 -1.19 0.37 -2.27 0.00 0.00 179.45 176.23 1m3i h GLN 256 N 0.00 0.15 -0.19 1.90 -0.00 0.23 -3.33 115.11 113.87 1m3i h GLN 256 Ca 0.00 -0.26 0.05 0.00 -0.00 0.00 0.00 58.65 58.45 1m3i h GLN 256 Cb 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 1m3i h GLN 256 CO 0.00 1.12 0.15 0.87 0.00 0.00 0.00 178.83 180.98 1m3i h LYS 257 N -0.56 0.00 0.00 1.69 1.79 0.11 -3.44 116.57 116.16 1m3i h LYS 257 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1m3i h LYS 257 Cb 1.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1m3i h LYS 257 CO -0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.77 1m3i n GLY 258 N -1.51 0.38 3.66 3.86 0.00 -0.76 -5.08 105.19 105.75 1m3i n GLY 258 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 1m3i n GLY 258 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1m3i n VAL 259 N 0.00 0.06 -2.72 1.61 0.31 0.21 -4.52 118.33 113.27 1m3i n VAL 259 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1m3i n VAL 259 Cb 0.00 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1m3i n VAL 259 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1m3i n SER 260 N 3.63 0.00 0.13 4.52 3.41 -1.00 -4.09 113.62 120.22 1m3i n SER 260 Ca 0.18 -0.56 0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1m3i n SER 260 Cb 0.27 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.38 1m3i n SER 260 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1m3i h ASN 261 N 0.00 0.00 0.32 4.04 2.35 -1.91 -2.73 115.58 117.66 1m3i h ASN 261 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1m3i h ASN 261 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1m3i h ASN 261 CO 0.00 0.03 -1.27 -0.62 -1.65 0.00 0.00 177.43 173.91 1m3i n GLU 262 N -2.60 0.38 -3.18 0.81 4.71 -1.26 -4.52 120.64 114.98 1m3i n GLU 262 Ca 0.03 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.16 56.94 1m3i n GLU 262 Cb 0.50 -1.59 -0.04 0.00 -1.01 0.00 0.00 31.44 29.30 1m3i n GLU 262 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1m3i n ALA 263 N -1.93 2.35 -1.65 0.62 0.00 -1.19 -4.57 120.51 114.14 1m3i n ALA 263 Ca 0.00 -3.53 -0.39 0.00 0.00 0.00 0.00 53.44 49.52 1m3i n ALA 263 Cb 0.47 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 19.07 1m3i n ALA 263 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1m3i n PRO 264 N 0.49 1.28 -3.10 0.00 -0.02 -1.03 -2.37 135.00 130.24 1m3i n PRO 264 Ca 0.25 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 1m3i n PRO 264 Cb 0.61 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1m3i n PRO 264 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1m3i s PRO 265 N -2.57 4.09 0.23 0.52 0.04 -1.26 0.49 135.00 136.55 1m3i s PRO 265 Ca 0.71 0.76 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 1m3i s PRO 265 Cb -0.46 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1m3i s PRO 265 CO 0.51 0.22 0.33 -0.48 0.04 0.00 0.00 177.00 177.61 1m3i s LEU 266 N -2.69 0.73 -0.02 -3.56 0.05 -0.44 -1.22 118.68 111.52 1m3i s LEU 266 Ca 0.51 -1.17 0.03 0.00 0.05 0.00 0.00 54.13 53.55 1m3i s LEU 266 Cb -0.12 1.14 0.00 0.00 -2.05 0.00 0.00 46.19 45.16 1m3i s LEU 266 CO 0.18 -1.02 -0.10 -0.32 -0.55 0.00 0.00 176.35 174.54 1m3i s MET 267 N -4.01 1.02 -0.31 1.48 1.75 0.14 -2.25 119.30 117.11 1m3i s MET 267 Ca 0.30 -0.35 -0.29 0.00 -1.25 0.00 0.00 55.69 54.11 1m3i s MET 267 Cb 0.03 -0.95 -0.02 0.00 2.84 0.00 0.00 34.83 36.73 1m3i s MET 267 CO 0.11 0.14 1.76 0.08 -0.65 0.00 0.00 175.02 176.47 1m3i s VAL 268 N 0.10 3.52 -0.01 10.11 1.01 -0.41 -0.54 120.40 134.17 1m3i s VAL 268 Ca -0.02 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1m3i s VAL 268 Cb -0.08 -3.66 -0.27 0.00 0.00 0.00 0.00 36.38 32.37 1m3i s VAL 268 CO 0.00 -0.39 0.79 0.77 0.00 0.00 0.00 175.10 176.27 1m3i h SER 269 N 12.38 0.34 -4.99 3.32 4.64 -0.99 0.16 113.55 128.42 1m3i h SER 269 Ca -0.34 -0.52 -0.16 0.00 -0.47 0.00 0.00 61.79 60.30 1m3i h SER 269 Cb 1.16 -0.11 -0.21 0.00 -0.31 0.00 0.00 62.40 62.94 1m3i h SER 269 CO 1.02 1.44 -0.67 0.20 -0.87 0.00 0.00 176.83 177.95 1m3i s ASN 270 N -6.88 0.22 -0.06 4.97 0.01 -1.02 -1.34 114.94 110.84 1m3i s ASN 270 Ca -0.10 -0.48 -0.02 0.00 -0.71 0.00 0.00 52.86 51.55 1m3i s ASN 270 Cb 0.07 0.12 0.04 0.00 0.41 0.00 0.00 41.25 41.89 1m3i s ASN 270 CO 0.84 -0.32 0.11 -0.69 -1.51 0.00 0.00 177.10 175.53 1m3i s VAL 271 N -1.55 -0.14 -0.03 1.60 1.01 -0.23 -1.76 120.40 119.30 1m3i s VAL 271 Ca -0.15 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1m3i s VAL 271 Cb -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1m3i s VAL 271 CO -0.01 0.13 0.39 0.00 0.00 0.00 0.00 175.10 175.61 1m3i s ALA 272 N 1.76 3.68 -0.07 5.51 0.00 -0.24 -1.52 121.76 130.88 1m3i s ALA 272 Ca -0.02 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1m3i s ALA 272 Cb -0.12 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 1m3i s ALA 272 CO -0.05 0.42 -0.23 0.71 0.00 0.00 0.00 175.76 176.61 1m3i s TYR 273 N -0.80 2.52 0.00 0.00 1.51 -0.58 0.65 117.35 120.65 1m3i s TYR 273 Ca 0.23 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1m3i s TYR 273 Cb -0.16 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1m3i s TYR 273 CO 0.12 -0.22 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1m3i n GLY 274 N 3.06 -0.52 3.80 0.71 0.00 -0.79 -0.12 105.19 111.33 1m3i n GLY 274 Ca -0.18 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1m3i n GLY 274 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1m3i s ARG 275 N 0.00 1.57 -0.01 1.61 1.70 -0.54 -4.25 118.95 119.04 1m3i s ARG 275 Ca 0.00 -0.85 0.04 0.00 -0.47 0.00 0.00 55.73 54.44 1m3i s ARG 275 Cb 0.00 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1m3i s ARG 275 CO 0.00 -0.72 -0.11 0.99 -1.08 0.00 0.00 175.30 174.38 1m3i s THR 276 N -3.71 0.90 -0.22 4.99 2.01 0.67 -0.50 115.64 119.79 1m3i s THR 276 Ca 0.11 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 1m3i s THR 276 Cb -0.04 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 1m3i s THR 276 CO 0.04 0.25 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.54 1m3i s ILE 277 N -0.28 3.28 -0.15 1.82 1.01 -0.79 0.68 121.20 126.76 1m3i s ILE 277 Ca 0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1m3i s ILE 277 Cb -0.04 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1m3i s ILE 277 CO -0.00 0.41 0.03 -0.31 0.00 0.00 0.00 174.94 175.06 1m3i s TYR 278 N 1.46 3.19 -0.06 3.97 1.51 0.75 -0.68 117.35 127.48 1m3i s TYR 278 Ca 0.05 0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 1m3i s TYR 278 Cb -0.14 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1m3i s TYR 278 CO -0.04 0.23 -0.22 0.08 -1.11 0.00 0.00 175.55 174.48 1m3i s VAL 279 N -0.05 1.86 -0.08 0.71 1.01 -0.41 -1.25 120.40 122.20 1m3i s VAL 279 Ca 0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1m3i s VAL 279 Cb -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1m3i s VAL 279 CO 0.02 0.52 -0.22 -0.75 0.00 0.00 0.00 175.10 174.67 1m3i s LYS 280 N 0.02 2.76 -0.26 2.72 2.20 0.30 -0.70 119.74 126.78 1m3i s LYS 280 Ca -0.07 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1m3i s LYS 280 Cb -0.14 -2.29 0.06 0.00 -1.51 0.00 0.00 37.83 33.95 1m3i s LYS 280 CO 0.04 0.35 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.78 1m3i s LEU 281 N -0.07 3.50 0.19 5.43 1.02 0.13 -0.76 118.68 128.12 1m3i s LEU 281 Ca -0.05 -1.44 0.11 0.00 0.02 0.00 0.00 54.13 52.76 1m3i s LEU 281 Cb -0.14 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 1m3i s LEU 281 CO 0.04 -0.21 -0.24 -1.83 0.02 0.00 0.00 176.35 174.14 1m3i s GLU 282 N 1.10 1.49 0.19 1.70 -1.05 -0.49 0.41 118.70 122.04 1m3i s GLU 282 Ca -0.07 -1.51 -0.21 0.00 -0.15 0.00 0.00 54.97 53.03 1m3i s GLU 282 Cb -0.20 -1.81 0.05 0.00 -0.44 0.00 0.00 34.13 31.73 1m3i s GLU 282 CO -0.05 0.39 0.59 -0.08 0.95 0.00 0.00 175.26 177.06 1m3i s THR 283 N -1.65 0.01 -0.46 1.83 -1.32 -0.17 -0.22 115.64 113.66 1m3i s THR 283 Ca 0.20 -0.39 0.18 0.00 -1.21 0.00 0.00 61.69 60.47 1m3i s THR 283 Cb -0.08 -1.31 -0.23 0.00 -1.51 0.00 0.00 72.50 69.37 1m3i s THR 283 CO 0.09 -0.05 0.59 0.35 -2.21 0.00 0.00 174.62 173.39 1m3i n THR 284 N -0.37 0.00 -1.69 5.08 -2.24 -1.23 -0.50 114.28 113.34 1m3i n THR 284 Ca -0.13 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 1m3i n THR 284 Cb 0.63 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.47 1m3i n THR 284 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m3i n SER 285 N -1.74 2.17 -0.67 3.42 2.88 -1.26 -4.82 113.62 113.60 1m3i n SER 285 Ca 0.00 1.04 0.06 0.00 -1.33 0.00 0.00 58.87 58.64 1m3i n SER 285 Cb 0.37 -1.48 0.14 0.00 -0.75 0.00 0.00 64.21 62.49 1m3i n SER 285 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1m3i n SER 286 N -0.09 2.77 -4.67 -3.46 7.64 -1.26 -4.64 113.62 109.92 1m3i n SER 286 Ca 0.09 -1.87 -0.37 0.00 1.01 0.00 0.00 58.87 57.73 1m3i n SER 286 Cb 0.41 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.50 1m3i n SER 286 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1m3i n SER 287 N 0.67 1.29 -0.32 6.43 2.88 -1.26 -4.78 113.62 118.53 1m3i n SER 287 Ca 0.12 0.78 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 1m3i n SER 287 Cb 0.41 -1.47 0.36 0.00 -0.75 0.00 0.00 64.21 62.76 1m3i n SER 287 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1m3i n LYS 288 N -1.69 1.41 0.00 -1.46 2.85 -1.26 -3.38 118.16 114.63 1m3i n LYS 288 Ca 0.15 -0.62 0.11 0.00 -1.05 0.00 0.00 58.31 56.89 1m3i n LYS 288 Cb 0.48 -1.30 -0.07 0.00 -0.65 0.00 0.00 35.03 33.50 1m3i n LYS 288 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m3i n ASP 289 N -0.12 0.67 -0.16 -5.58 10.43 -1.26 -4.57 116.55 115.96 1m3i n ASP 289 Ca 0.13 -0.56 -0.04 0.00 2.57 0.00 0.00 54.79 56.89 1m3i n ASP 289 Cb 0.20 1.09 -0.04 0.00 1.84 0.00 0.00 41.12 44.21 1m3i n ASP 289 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1m3i n VAL 290 N -1.76 -0.26 -0.26 2.53 0.31 -1.22 0.36 118.33 118.02 1m3i n VAL 290 Ca 0.02 1.77 -0.06 0.00 -0.01 0.00 0.00 64.34 66.05 1m3i n VAL 290 Cb 0.40 -2.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 1m3i n VAL 290 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1m3i h GLN 291 N 0.00 -0.14 -0.39 5.55 4.15 -1.87 0.67 115.11 123.08 1m3i h GLN 291 Ca 0.06 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.57 1m3i h GLN 291 Cb 0.16 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 1m3i h GLN 291 CO -0.36 -0.09 -0.05 0.00 -1.93 0.00 0.00 178.83 176.40 1m3i h ALA 292 N 0.86 0.31 -0.47 3.38 0.00 -1.26 -0.51 119.26 121.56 1m3i h ALA 292 Ca 0.23 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1m3i h ALA 292 Cb 0.56 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1m3i h ALA 292 CO -0.78 -0.42 0.23 0.00 0.00 0.00 0.00 179.25 178.28 1m3i h ALA 293 N 1.37 0.60 -0.17 0.00 0.00 0.33 0.80 119.26 122.20 1m3i h ALA 293 Ca 0.19 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1m3i h ALA 293 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1m3i h ALA 293 CO -0.36 -0.12 0.05 0.74 0.00 0.00 0.00 179.25 179.56 1m3i h PHE 294 N 0.46 0.10 -0.53 0.00 0.05 0.98 -0.15 116.94 117.85 1m3i h PHE 294 Ca 0.21 0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.01 1m3i h PHE 294 Cb 0.12 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.03 1m3i h PHE 294 CO -0.11 0.05 0.35 0.87 -0.18 0.00 0.00 178.31 179.29 1m3i h LYS 295 N 0.13 0.70 -0.90 1.51 1.57 -0.65 0.15 116.57 119.07 1m3i h LYS 295 Ca 0.07 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1m3i h LYS 295 Cb 0.05 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.13 1m3i h LYS 295 CO -0.08 0.46 0.56 0.00 -0.57 0.00 0.00 179.45 179.82 1m3i h ALA 296 N 1.20 1.26 -0.13 3.86 0.00 -0.40 0.12 119.26 125.18 1m3i h ALA 296 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1m3i h ALA 296 Cb -0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1m3i h ALA 296 CO -0.04 0.28 -0.03 1.25 0.00 0.00 0.00 179.25 180.70 1m3i h LEU 297 N 0.99 0.24 0.97 0.00 5.85 -0.27 0.53 115.31 123.62 1m3i h LEU 297 Ca 0.40 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1m3i h LEU 297 Cb 0.24 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1m3i h LEU 297 CO -0.20 0.55 -0.46 0.40 -0.34 0.00 0.00 178.44 178.39 1m3i h ILE 298 N -0.07 0.00 0.00 4.05 2.04 -0.02 -3.13 117.51 120.39 1m3i h ILE 298 Ca 0.03 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1m3i h ILE 298 Cb 0.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1m3i h ILE 298 CO 0.01 0.00 -0.08 0.11 0.00 0.00 0.00 178.15 178.19 1m3i h LYS 299 N -1.31 0.00 -4.84 2.37 1.57 -0.88 -3.47 116.57 110.00 1m3i h LYS 299 Ca -0.13 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 1m3i h LYS 299 Cb 1.00 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.45 1m3i h LYS 299 CO 0.22 0.08 -0.64 0.09 -0.57 0.00 0.00 179.45 178.63 1m3i n ASN 300 N -3.28 -5.27 -4.93 0.86 4.13 0.15 -5.02 115.26 101.90 1m3i n ASN 300 Ca -0.00 -0.53 -0.25 0.00 1.68 0.00 0.00 54.58 55.47 1m3i n ASN 300 Cb 0.30 -4.05 0.01 0.00 -1.54 0.00 0.00 39.78 34.49 1m3i n ASN 300 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1m3i s THR 301 N -3.29 4.46 0.45 3.41 -4.23 -1.02 -5.00 115.64 110.41 1m3i s THR 301 Ca 0.32 -0.14 0.16 0.00 -1.18 0.00 0.00 61.69 60.85 1m3i s THR 301 Cb -0.04 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.31 1m3i s THR 301 CO 0.56 -0.59 2.00 -0.78 -0.54 0.00 0.00 174.62 175.27 1m3i h ASP 302 N 0.29 0.00 0.00 3.99 3.58 -1.95 -2.55 116.42 119.78 1m3i h ASP 302 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1m3i h ASP 302 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1m3i h ASP 302 CO 0.60 0.18 0.00 -0.38 -2.88 0.00 0.00 179.24 176.76 1m3i n ILE 303 N -4.23 0.00 0.31 2.25 2.08 -1.26 -4.15 119.36 114.36 1m3i n ILE 303 Ca -0.02 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.43 1m3i n ILE 303 Cb 0.24 -0.27 0.68 0.00 -0.75 0.00 0.00 39.64 39.54 1m3i n ILE 303 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 1m3i h LYS 304 N 0.03 0.00 -0.48 0.38 5.09 -1.77 -3.04 116.57 116.79 1m3i h LYS 304 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1m3i h LYS 304 Cb 0.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.59 1m3i h LYS 304 CO 0.00 0.00 0.00 -1.71 -2.09 0.00 0.00 179.45 175.65 1m3i n ASN 305 N -2.59 2.77 -4.64 7.07 2.85 -1.26 -4.51 115.26 114.94 1m3i n ASN 305 Ca 0.00 -1.97 -0.56 0.00 -0.11 0.00 0.00 54.58 51.94 1m3i n ASN 305 Cb 0.18 -0.32 -0.07 0.00 1.24 0.00 0.00 39.78 40.81 1m3i n ASN 305 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1m3i n SER 306 N 1.01 2.30 -0.42 1.20 7.64 -1.15 -4.63 113.62 119.58 1m3i n SER 306 Ca 0.18 0.94 0.35 0.00 1.01 0.00 0.00 58.87 61.35 1m3i n SER 306 Cb 0.45 -1.15 0.66 0.00 -1.01 0.00 0.00 64.21 63.15 1m3i n SER 306 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1m3i h GLN 307 N 8.24 0.13 -0.73 1.43 1.08 -1.94 1.56 115.11 124.90 1m3i h GLN 307 Ca -0.41 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 56.79 1m3i h GLN 307 Cb 1.32 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.69 1m3i h GLN 307 CO 0.98 0.09 0.48 -0.56 -0.95 0.00 0.00 178.83 178.87 1m3i h GLN 308 N 0.14 0.95 0.17 1.46 3.07 -1.98 -1.91 115.11 117.01 1m3i h GLN 308 Ca 0.72 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 59.39 1m3i h GLN 308 Cb 2.37 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 29.72 1m3i h GLN 308 CO -0.24 0.63 -0.08 1.88 0.09 0.00 0.00 178.83 181.10 1m3i h TYR 309 N 0.98 -0.21 -0.84 0.06 -1.99 0.19 -2.35 116.97 112.81 1m3i h TYR 309 Ca 0.27 -0.00 0.21 0.00 2.00 0.00 0.00 58.73 61.21 1m3i h TYR 309 Cb -0.10 0.07 -0.14 0.00 2.00 0.00 0.00 36.73 38.56 1m3i h TYR 309 CO -0.02 0.12 0.15 0.87 -0.00 0.00 0.00 178.16 179.27 1m3i h LYS 310 N -0.55 0.16 -0.30 4.88 1.79 -0.95 1.10 116.57 122.72 1m3i h LYS 310 Ca -0.02 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1m3i h LYS 310 Cb 0.42 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1m3i h LYS 310 CO 0.04 0.11 0.04 -0.44 -1.08 0.00 0.00 179.45 178.12 1m3i h ASP 311 N 0.17 0.48 0.04 0.86 5.19 -1.31 0.18 116.42 122.03 1m3i h ASP 311 Ca 0.51 -0.27 0.02 0.00 -0.62 0.00 0.00 57.03 56.67 1m3i h ASP 311 Cb 0.98 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.33 1m3i h ASP 311 CO -0.67 0.63 -0.19 0.40 -3.12 0.00 0.00 179.24 176.30 1m3i h ILE 312 N 0.32 0.56 -0.58 0.35 2.04 0.39 -0.70 117.51 119.89 1m3i h ILE 312 Ca 0.09 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.05 1m3i h ILE 312 Cb 0.36 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1m3i h ILE 312 CO 0.01 0.00 0.17 1.88 0.00 0.00 0.00 178.15 180.21 1m3i h TYR 313 N -0.33 0.29 -0.03 1.37 0.99 0.12 0.34 116.97 119.72 1m3i h TYR 313 Ca 0.04 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1m3i h TYR 313 Cb 0.38 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 38.06 1m3i h TYR 313 CO -0.21 0.04 0.05 0.93 -0.00 0.00 0.00 178.16 178.97 1m3i h GLU 314 N 0.33 0.00 -0.29 4.88 5.08 0.30 -1.30 114.58 123.58 1m3i h GLU 314 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1m3i h GLU 314 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1m3i h GLU 314 CO -0.33 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.77 1m3i n ASN 315 N -3.54 3.77 -4.72 1.42 4.13 0.10 -5.00 115.26 111.43 1m3i n ASN 315 Ca -0.02 -2.84 -0.23 0.00 1.68 0.00 0.00 54.58 53.17 1m3i n ASN 315 Cb 0.13 -0.49 -0.06 0.00 -1.54 0.00 0.00 39.78 37.81 1m3i n ASN 315 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1m3i s SER 316 N -1.74 4.75 -0.00 6.41 0.01 -0.23 -3.47 113.70 119.43 1m3i s SER 316 Ca 0.39 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1m3i s SER 316 Cb 0.31 -0.84 -0.00 0.00 0.21 0.00 0.00 66.02 65.69 1m3i s SER 316 CO 0.10 -0.19 -0.04 -0.55 0.41 0.00 0.00 173.24 172.98 1m3i s SER 317 N -3.80 0.46 -0.03 2.44 0.15 0.69 -4.77 113.70 108.84 1m3i s SER 317 Ca 0.35 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1m3i s SER 317 Cb -0.04 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1m3i s SER 317 CO 0.22 0.04 -0.25 -0.36 1.20 0.00 0.00 173.24 174.10 1m3i s PHE 318 N -0.12 2.38 -0.00 3.44 0.40 -0.19 -1.40 117.98 122.49 1m3i s PHE 318 Ca 0.01 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1m3i s PHE 318 Cb -0.02 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 1m3i s PHE 318 CO -0.00 -0.06 -0.15 0.99 0.70 0.00 0.00 175.22 176.71 1m3i s THR 319 N -0.53 1.15 0.00 0.64 2.01 0.06 -1.41 115.64 117.57 1m3i s THR 319 Ca 0.07 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1m3i s THR 319 Cb -0.11 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.43 1m3i s THR 319 CO 0.00 0.28 -0.01 0.00 -0.69 0.00 0.00 174.62 174.20 1m3i s ALA 320 N -0.41 0.07 0.02 7.40 0.00 -0.59 0.11 121.76 128.36 1m3i s ALA 320 Ca 0.05 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 1m3i s ALA 320 Cb -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1m3i s ALA 320 CO -0.00 -0.00 0.33 0.14 0.00 0.00 0.00 175.76 176.23 1m3i s VAL 321 N -0.15 0.07 -0.24 0.00 -7.23 -0.38 -1.68 120.40 110.79 1m3i s VAL 321 Ca -0.01 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1m3i s VAL 321 Cb -0.01 -0.84 0.05 0.00 0.56 0.00 0.00 36.38 36.13 1m3i s VAL 321 CO -0.00 -0.31 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.66 1m3i s VAL 322 N -2.14 2.12 0.51 1.32 1.01 -1.26 -0.18 120.40 121.78 1m3i s VAL 322 Ca -0.08 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.50 1m3i s VAL 322 Cb -0.02 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1m3i s VAL 322 CO -0.01 0.11 0.32 -0.76 0.00 0.00 0.00 175.10 174.77 1m3i s LEU 323 N 1.16 2.79 0.00 3.92 1.43 0.21 -4.65 118.68 123.55 1m3i s LEU 323 Ca -0.05 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 1m3i s LEU 323 Cb -0.18 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1m3i s LEU 323 CO -0.07 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.18 1m3i n GLY 324 N -1.61 3.12 0.00 -3.19 0.00 -1.26 -0.23 105.19 102.01 1m3i n GLY 324 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1m3i n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m3i n GLY 325 N -2.00 0.93 0.15 -0.02 0.00 -1.26 -4.46 105.19 98.53 1m3i n GLY 325 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.46 1m3i n GLY 325 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m3i n ASP 326 N 0.00 2.33 0.19 1.61 -0.08 -1.26 -4.68 116.55 114.65 1m3i n ASP 326 Ca 0.00 -2.37 0.03 0.00 -1.51 0.00 0.00 54.79 50.95 1m3i n ASP 326 Cb 0.00 -0.18 0.36 0.00 2.34 0.00 0.00 41.12 43.64 1m3i n ASP 326 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m3i h ALA 327 N 0.36 1.25 -0.60 -1.67 0.00 -1.94 -3.49 119.26 113.17 1m3i h ALA 327 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1m3i h ALA 327 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1m3i h ALA 327 CO 0.01 0.48 0.00 0.94 0.00 0.00 0.00 179.25 180.68 1m3i n GLN 328 N -3.92 0.00 0.06 0.00 -0.06 -1.26 -3.25 117.38 108.95 1m3i n GLN 328 Ca -0.01 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 55.12 1m3i n GLN 328 Cb 0.44 0.00 0.49 0.00 -4.06 0.00 0.00 30.24 27.11 1m3i n GLN 328 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1m3i n GLU 329 N 3.43 0.15 0.00 3.69 -0.58 -1.26 -4.34 120.64 121.72 1m3i n GLU 329 Ca 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1m3i n GLU 329 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1m3i n GLU 329 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1m3i n HIS 330 N -1.94 0.00 -2.22 -0.32 8.25 -1.20 -3.46 115.22 114.33 1m3i n HIS 330 Ca 0.06 -0.21 0.02 0.00 -0.26 0.00 0.00 57.72 57.33 1m3i n HIS 330 Cb 0.38 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.35 1m3i n HIS 330 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1m3i n ASN 331 N 0.60 0.46 -4.82 0.41 6.94 -1.26 -5.10 115.26 112.49 1m3i n ASN 331 Ca 0.00 -2.01 -0.33 0.00 -0.02 0.00 0.00 54.58 52.22 1m3i n ASN 331 Cb 0.24 -0.25 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1m3i n ASN 331 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1m3i s LYS 332 N -0.01 4.21 -0.08 -3.83 2.20 -1.22 -4.44 119.74 116.57 1m3i s LYS 332 Ca 0.16 1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.83 1m3i s LYS 332 Cb 0.18 -2.18 0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1m3i s LYS 332 CO -0.08 -0.04 0.17 0.08 -0.36 0.00 0.00 175.35 175.12 1m3i s VAL 333 N -2.20 -0.11 -0.12 4.02 1.01 -0.68 -5.01 120.40 117.32 1m3i s VAL 333 Ca 0.62 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1m3i s VAL 333 Cb -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1m3i s VAL 333 CO 0.14 0.09 -0.14 -0.69 0.00 0.00 0.00 175.10 174.50 1m3i s VAL 334 N 1.49 1.43 0.21 2.92 1.01 -1.26 -1.55 120.40 124.66 1m3i s VAL 334 Ca -0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1m3i s VAL 334 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1m3i s VAL 334 CO -0.06 0.43 0.34 -0.89 0.00 0.00 0.00 175.10 174.92 1m3i s THR 335 N 1.19 0.02 -1.22 3.92 2.01 -0.50 -4.99 115.64 116.06 1m3i s THR 335 Ca -0.03 -1.55 0.13 0.00 0.31 0.00 0.00 61.69 60.56 1m3i s THR 335 Cb -0.14 -2.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 1m3i s THR 335 CO -0.04 -0.08 0.75 0.29 -0.69 0.00 0.00 174.62 174.85 1m3i n LYS 336 N -0.31 1.85 -3.64 4.92 5.02 -1.26 -1.02 118.16 123.72 1m3i n LYS 336 Ca -0.02 -0.72 -0.39 0.00 -2.02 0.00 0.00 58.31 55.15 1m3i n LYS 336 Cb 0.63 -1.18 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 1m3i n LYS 336 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1m3i s ASP 337 N -1.63 5.54 0.53 4.39 -1.08 -1.26 -4.95 116.67 118.21 1m3i s ASP 337 Ca 0.11 -1.74 0.23 0.00 -0.52 0.00 0.00 52.55 50.63 1m3i s ASP 337 Cb 0.11 -1.95 1.47 0.00 -1.46 0.00 0.00 42.92 41.08 1m3i s ASP 337 CO 0.33 -0.58 2.14 0.15 0.52 0.00 0.00 175.17 177.74 1m3i h PHE 338 N 8.33 0.00 -0.54 -5.34 3.57 -1.99 -1.57 116.94 119.40 1m3i h PHE 338 Ca -0.20 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.46 1m3i h PHE 338 Cb 1.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1m3i h PHE 338 CO 0.61 0.06 0.50 -0.44 -2.23 0.00 0.00 178.31 176.81 1m3i h ASP 339 N 0.00 0.00 0.25 0.41 3.45 -1.98 0.61 116.42 119.16 1m3i h ASP 339 Ca -0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.28 1m3i h ASP 339 Cb 0.13 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1m3i h ASP 339 CO 0.01 0.00 -0.71 -0.33 -1.57 0.00 0.00 179.24 176.64 1m3i h GLU 340 N 0.00 0.40 -0.26 3.56 5.08 -1.72 -2.46 114.58 119.19 1m3i h GLU 340 Ca 0.26 -0.32 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1m3i h GLU 340 Cb 1.25 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1m3i h GLU 340 CO -0.00 0.96 -0.49 0.82 -1.00 0.00 0.00 179.01 179.29 1m3i h ILE 341 N 0.28 1.29 -0.96 3.13 1.08 0.01 -2.79 117.51 119.55 1m3i h ILE 341 Ca -0.03 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1m3i h ILE 341 Cb 1.27 1.61 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 1m3i h ILE 341 CO 0.12 0.54 0.60 0.03 -0.69 0.00 0.00 178.15 178.76 1m3i h ARG 342 N 0.57 1.29 -0.04 2.37 3.08 -0.90 -2.63 114.38 118.13 1m3i h ARG 342 Ca 0.03 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1m3i h ARG 342 Cb 1.05 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1m3i h ARG 342 CO 0.10 0.88 0.02 -0.22 -1.07 0.00 0.00 179.97 179.68 1m3i h LYS 343 N 1.32 0.06 -0.54 0.04 3.64 -1.27 -1.03 116.57 118.78 1m3i h LYS 343 Ca 0.35 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 1m3i h LYS 343 Cb -0.10 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.61 1m3i h LYS 343 CO -0.07 0.20 -0.23 0.28 -2.27 0.00 0.00 179.45 177.36 1m3i h VAL 344 N -0.10 0.30 -0.13 2.00 2.07 -1.23 0.52 116.25 119.69 1m3i h VAL 344 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1m3i h VAL 344 Cb 0.16 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1m3i h VAL 344 CO -0.00 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.04 1m3i h ILE 345 N -0.10 0.98 -0.11 4.57 2.04 -1.28 -2.05 117.51 121.56 1m3i h ILE 345 Ca 0.25 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1m3i h ILE 345 Cb 0.49 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1m3i h ILE 345 CO -0.61 0.02 0.02 0.11 0.00 0.00 0.00 178.15 177.69 1m3i h LYS 346 N 0.11 0.07 -0.11 2.37 1.57 0.22 -2.25 116.57 118.55 1m3i h LYS 346 Ca 0.05 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1m3i h LYS 346 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1m3i h LYS 346 CO -0.05 0.04 0.13 -0.44 -0.57 0.00 0.00 179.45 178.57 1m3i h ASP 347 N 0.07 0.00 -0.64 0.86 3.32 0.19 -1.54 116.42 118.67 1m3i h ASP 347 Ca 0.05 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 1m3i h ASP 347 Cb 0.04 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.49 1m3i h ASP 347 CO -0.07 0.00 0.20 0.59 -1.72 0.00 0.00 179.24 178.24 1m3i n ASN 348 N -3.75 4.55 -0.03 6.45 3.02 -0.79 -4.43 115.26 120.29 1m3i n ASN 348 Ca -0.00 -3.24 0.14 0.00 -0.03 0.00 0.00 54.58 51.45 1m3i n ASN 348 Cb 0.23 -0.71 0.68 0.00 -0.61 0.00 0.00 39.78 39.38 1m3i n ASN 348 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m3i n ALA 349 N -0.27 2.58 -2.42 5.41 0.00 -0.58 -4.86 120.51 120.37 1m3i n ALA 349 Ca 0.38 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 1m3i n ALA 349 Cb 1.29 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 1m3i n ALA 349 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1m3i s THR 350 N -2.62 1.88 0.02 0.00 2.01 -1.26 -1.47 115.64 114.20 1m3i s THR 350 Ca 0.26 -2.06 0.01 0.00 0.31 0.00 0.00 61.69 60.21 1m3i s THR 350 Cb 0.20 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1m3i s THR 350 CO 0.48 -0.40 -0.04 0.72 -0.69 0.00 0.00 174.62 174.69 1m3i s PHE 351 N -2.36 0.38 -0.21 4.92 -0.12 0.41 -4.79 117.98 116.21 1m3i s PHE 351 Ca 0.19 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.56 1m3i s PHE 351 Cb -0.04 -0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.05 1m3i s PHE 351 CO 0.08 -0.11 0.18 0.45 -0.05 0.00 0.00 175.22 175.76 1m3i s SER 352 N -1.17 6.22 0.00 1.98 0.15 -1.26 -0.73 113.70 118.89 1m3i s SER 352 Ca -0.10 0.24 0.16 0.00 0.70 0.00 0.00 55.95 56.95 1m3i s SER 352 Cb -0.08 -2.11 0.91 0.00 -1.71 0.00 0.00 66.02 63.03 1m3i s SER 352 CO -0.00 0.11 1.38 0.35 1.20 0.00 0.00 173.24 176.28 1m3i n THR 353 N 3.84 0.13 -0.34 6.45 -2.24 0.23 -1.83 114.28 120.53 1m3i n THR 353 Ca -0.15 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1m3i n THR 353 Cb 0.52 -0.78 0.22 0.00 -2.10 0.00 0.00 70.33 68.18 1m3i n THR 353 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1m3i n LYS 354 N -1.07 2.93 -4.37 -0.78 5.02 -1.25 -4.93 118.16 113.71 1m3i n LYS 354 Ca 0.11 -2.33 -0.25 0.00 -2.02 0.00 0.00 58.31 53.81 1m3i n LYS 354 Cb 0.07 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 1m3i n LYS 354 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1m3i s ASN 355 N -1.08 3.03 0.29 4.39 -0.87 -0.76 -5.11 114.94 114.83 1m3i s ASN 355 Ca 0.33 -0.82 -0.29 0.00 -1.57 0.00 0.00 52.86 50.50 1m3i s ASN 355 Cb 0.19 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.25 41.12 1m3i s ASN 355 CO 0.20 0.07 1.43 -2.16 -2.57 0.00 0.00 177.10 174.07 1m3i s PRO 356 N -2.52 4.25 -0.16 -0.60 0.04 -1.26 -4.92 135.00 129.84 1m3i s PRO 356 Ca 0.16 2.35 0.01 0.00 0.04 0.00 0.00 61.00 63.55 1m3i s PRO 356 Cb -0.08 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1m3i s PRO 356 CO 0.07 -0.41 -0.16 0.00 0.04 0.00 0.00 177.00 176.55 1m3i s ALA 357 N -0.41 2.45 0.08 8.56 0.00 -1.26 -4.97 121.76 126.22 1m3i s ALA 357 Ca 0.56 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1m3i s ALA 357 Cb -0.43 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1m3i s ALA 357 CO 0.49 -0.06 0.12 0.71 0.00 0.00 0.00 175.76 177.01 1m3i s TYR 358 N 0.86 3.26 0.04 0.00 1.51 -1.26 -4.84 117.35 116.92 1m3i s TYR 358 Ca -0.05 0.11 -0.34 0.00 -1.01 0.00 0.00 57.07 55.78 1m3i s TYR 358 Cb -0.15 -1.64 -0.13 0.00 -0.11 0.00 0.00 41.96 39.92 1m3i s TYR 358 CO -0.01 0.54 1.68 -0.35 -1.11 0.00 0.00 175.55 176.29 1m3i n PRO 359 N 0.34 2.04 -0.11 -1.71 -0.04 -1.26 -1.89 135.00 132.37 1m3i n PRO 359 Ca -0.08 0.74 -0.14 0.00 -0.04 0.00 0.00 63.50 63.99 1m3i n PRO 359 Cb 0.52 -2.53 -0.12 0.00 -0.04 0.00 0.00 33.50 31.33 1m3i n PRO 359 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1m3i n ILE 360 N 4.04 1.31 -3.83 0.52 2.08 0.21 -4.76 119.36 118.93 1m3i n ILE 360 Ca 0.20 -0.61 -0.03 0.00 0.56 0.00 0.00 62.75 62.87 1m3i n ILE 360 Cb 0.28 -1.04 0.01 0.00 -0.75 0.00 0.00 39.64 38.14 1m3i n ILE 360 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1m3i s SER 361 N -5.90 -0.05 -0.01 4.38 1.04 -1.18 -2.62 113.70 109.35 1m3i s SER 361 Ca -0.23 -0.56 -0.28 0.00 0.48 0.00 0.00 55.95 55.35 1m3i s SER 361 Cb 0.07 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.76 1m3i s SER 361 CO 0.62 -0.93 0.76 -0.72 0.98 0.00 0.00 173.24 173.95 1m3i s TYR 362 N -2.52 -0.51 -0.08 5.02 -0.85 -0.13 -1.07 117.35 117.20 1m3i s TYR 362 Ca 0.18 0.63 0.03 0.00 -0.52 0.00 0.00 57.07 57.39 1m3i s TYR 362 Cb -0.02 0.48 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 1m3i s TYR 362 CO 0.04 -0.61 -0.18 0.95 -1.52 0.00 0.00 175.55 174.23 1m3i s THR 363 N -2.27 2.69 0.47 -3.49 -4.23 -0.72 -0.04 115.64 108.04 1m3i s THR 363 Ca -0.03 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1m3i s THR 363 Cb -0.01 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.79 1m3i s THR 363 CO -0.02 0.56 0.47 -0.44 -0.54 0.00 0.00 174.62 174.66 1m3i s SER 364 N -0.12 5.05 -0.06 3.99 0.01 -1.26 -0.36 113.70 120.95 1m3i s SER 364 Ca -0.03 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.37 1m3i s SER 364 Cb -0.14 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.89 1m3i s SER 364 CO 0.04 -0.87 0.14 -0.69 0.41 0.00 0.00 173.24 172.26 1m3i s VAL 365 N -2.55 -0.03 0.22 3.43 1.01 0.29 -1.19 120.40 121.58 1m3i s VAL 365 Ca 0.48 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1m3i s VAL 365 Cb -0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 1m3i s VAL 365 CO 0.29 0.04 1.42 -0.36 0.00 0.00 0.00 175.10 176.50 1m3i s PHE 366 N 0.73 3.08 0.12 5.22 0.40 0.31 0.24 117.98 128.08 1m3i s PHE 366 Ca -0.05 1.02 -0.20 0.00 -0.60 0.00 0.00 56.93 57.10 1m3i s PHE 366 Cb -0.07 -3.78 -0.06 0.00 0.51 0.00 0.00 43.02 39.62 1m3i s PHE 366 CO -0.03 -2.56 1.77 -0.07 0.70 0.00 0.00 175.22 175.03 1m3i h LEU 367 N 5.37 0.20 -0.06 -0.37 3.38 -1.49 0.49 115.31 122.84 1m3i h LEU 367 Ca -0.45 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1m3i h LEU 367 Cb 1.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1m3i h LEU 367 CO 0.79 0.15 -0.07 0.50 0.09 0.00 0.00 178.44 179.91 1m3i h LYS 368 N 0.25 -0.04 -0.28 1.13 3.64 -1.87 -3.24 116.57 116.16 1m3i h LYS 368 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1m3i h LYS 368 Cb -0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1m3i h LYS 368 CO -0.03 -0.03 0.00 -0.40 -2.27 0.00 0.00 179.45 176.72 1m3i n ASP 369 N -3.05 2.99 -1.95 4.20 5.75 -1.25 -4.93 116.55 118.31 1m3i n ASP 369 Ca -0.00 -1.87 -0.20 0.00 -0.01 0.00 0.00 54.79 52.70 1m3i n ASP 369 Cb 0.04 -0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 39.90 1m3i n ASP 369 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1m3i n ASN 370 N 1.09 -5.62 -4.85 -1.12 5.03 0.16 -4.96 115.26 104.99 1m3i n ASN 370 Ca 0.15 0.23 -0.33 0.00 0.87 0.00 0.00 54.58 55.50 1m3i n ASN 370 Cb 0.49 -4.77 -0.06 0.00 -1.02 0.00 0.00 39.78 34.43 1m3i n ASN 370 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1m3i s SER 371 N -2.43 6.81 0.20 6.41 1.04 -1.24 -4.76 113.70 119.74 1m3i s SER 371 Ca 0.00 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.38 1m3i s SER 371 Cb 0.00 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 1m3i s SER 371 CO 0.00 -0.13 1.29 -0.69 0.98 0.00 0.00 173.24 174.69 1m3i s VAL 372 N -1.85 3.26 0.56 5.02 1.01 -1.26 -0.53 120.40 126.61 1m3i s VAL 372 Ca 0.50 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 63.38 1m3i s VAL 372 Cb -0.12 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1m3i s VAL 372 CO 0.19 0.16 1.01 0.00 0.00 0.00 0.00 175.10 176.45 1m3i s ALA 373 N 0.07 3.04 -0.28 5.51 0.00 -0.33 -4.84 121.76 124.92 1m3i s ALA 373 Ca 0.56 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1m3i s ALA 373 Cb -0.36 -3.11 0.15 0.00 0.00 0.00 0.00 23.12 19.80 1m3i s ALA 373 CO 0.38 -0.47 0.38 0.00 0.00 0.00 0.00 175.76 176.06 1m3i s ALA 374 N -2.83 -1.04 0.23 0.00 0.00 -1.26 -4.57 121.76 112.29 1m3i s ALA 374 Ca 0.58 0.28 -0.32 0.00 0.00 0.00 0.00 51.96 52.50 1m3i s ALA 374 Cb -0.11 -1.94 -0.13 0.00 0.00 0.00 0.00 23.12 20.95 1m3i s ALA 374 CO 0.40 -1.63 1.59 0.28 0.00 0.00 0.00 175.76 176.40 1m3i n VAL 375 N 5.35 0.47 -4.14 0.00 0.31 -0.79 -4.81 118.33 114.72 1m3i n VAL 375 Ca -0.01 -0.12 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 1m3i n VAL 375 Cb 0.49 -1.76 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 1m3i n VAL 375 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1m3i s HIS 376 N 0.53 3.21 -0.04 3.52 3.76 0.33 -3.16 115.29 123.46 1m3i s HIS 376 Ca 0.72 0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.69 1m3i s HIS 376 Cb -0.58 -2.00 0.01 0.00 1.11 0.00 0.00 32.58 31.13 1m3i s HIS 376 CO 0.42 0.21 -0.07 1.21 -0.85 0.00 0.00 174.74 175.65 1m3i s ASN 377 N 0.07 1.08 -0.00 1.40 3.84 0.23 0.21 114.94 121.76 1m3i s ASN 377 Ca 0.04 -0.16 0.01 0.00 0.21 0.00 0.00 52.86 52.95 1m3i s ASN 377 Cb -0.12 -0.41 -0.00 0.00 -0.55 0.00 0.00 41.25 40.17 1m3i s ASN 377 CO 0.01 0.01 -0.02 -0.75 -2.79 0.00 0.00 177.10 173.56 1m3i s LYS 378 N 0.54 0.17 -0.08 0.43 2.20 -1.26 -0.20 119.74 121.55 1m3i s LYS 378 Ca -0.08 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.17 1m3i s LYS 378 Cb -0.12 -0.17 0.11 0.00 -1.51 0.00 0.00 37.83 36.14 1m3i s LYS 378 CO 0.01 0.04 0.93 -0.08 -0.36 0.00 0.00 175.35 175.88 1m3i s THR 379 N -0.01 0.00 0.26 3.43 -1.32 -0.80 -3.52 115.64 113.68 1m3i s THR 379 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.57 1m3i s THR 379 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1m3i s THR 379 CO -0.00 0.00 0.09 -1.81 -2.21 0.00 0.00 174.62 170.69 1m3i s ASP 380 N -1.79 5.00 0.39 8.08 -0.00 -0.32 -1.54 116.67 126.49 1m3i s ASP 380 Ca 0.01 -0.47 -0.11 0.00 -0.00 0.00 0.00 52.55 51.98 1m3i s ASP 380 Cb -0.01 -1.10 0.04 0.00 -0.00 0.00 0.00 42.92 41.86 1m3i s ASP 380 CO -0.03 -0.02 0.70 -0.72 -0.00 0.00 0.00 175.17 175.10 1m3i s TYR 381 N -2.24 0.45 -0.18 4.23 -0.85 0.27 -4.78 117.35 114.25 1m3i s TYR 381 Ca 0.32 -1.00 -0.02 0.00 -0.52 0.00 0.00 57.07 55.85 1m3i s TYR 381 Cb -0.07 0.57 0.05 0.00 0.38 0.00 0.00 41.96 42.89 1m3i s TYR 381 CO 0.22 -1.48 -0.01 0.42 -1.52 0.00 0.00 175.55 173.19 1m3i s ILE 382 N -2.38 0.81 0.72 -3.49 1.01 -1.26 0.12 121.20 116.73 1m3i s ILE 382 Ca 0.20 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1m3i s ILE 382 Cb -0.04 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.32 1m3i s ILE 382 CO 0.15 -0.04 1.08 -1.61 0.00 0.00 0.00 174.94 174.52 1m3i s GLU 383 N 1.75 2.59 0.25 2.79 2.02 -1.09 -4.88 118.70 122.12 1m3i s GLU 383 Ca -0.00 1.17 -0.15 0.00 0.02 0.00 0.00 54.97 56.00 1m3i s GLU 383 Cb -0.16 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1m3i s GLU 383 CO -0.07 -1.38 0.53 0.99 0.02 0.00 0.00 175.26 175.34 1m3i s THR 384 N -2.79 0.00 -0.20 3.63 2.01 -1.26 -2.70 115.64 114.33 1m3i s THR 384 Ca 0.62 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 1m3i s THR 384 Cb -0.17 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.29 1m3i s THR 384 CO 0.52 -0.02 0.53 0.42 -0.69 0.00 0.00 174.62 175.37 1m3i s THR 385 N -3.98 -0.00 -0.13 -0.82 -4.23 -1.18 -5.00 115.64 100.30 1m3i s THR 385 Ca 0.19 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1m3i s THR 385 Cb -0.02 -0.73 0.04 0.00 1.34 0.00 0.00 72.50 73.12 1m3i s THR 385 CO 0.07 0.00 -0.04 -0.94 -0.54 0.00 0.00 174.62 173.18 1m3i s SER 386 N 0.34 2.36 -0.28 3.99 1.04 -1.26 -0.76 113.70 119.14 1m3i s SER 386 Ca -0.00 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 1m3i s SER 386 Cb -0.04 -0.74 -0.05 0.00 0.10 0.00 0.00 66.02 65.29 1m3i s SER 386 CO -0.00 -0.18 0.18 0.42 0.98 0.00 0.00 173.24 174.64 1m3i s THR 387 N 1.76 5.28 0.35 2.02 -4.23 -0.19 -4.88 115.64 115.75 1m3i s THR 387 Ca 0.03 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1m3i s THR 387 Cb -0.14 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.09 1m3i s THR 387 CO -0.07 0.26 1.00 -1.61 -0.54 0.00 0.00 174.62 173.66 1m3i s GLU 388 N 1.71 4.42 0.06 3.99 8.01 -1.26 -1.99 118.70 133.63 1m3i s GLU 388 Ca 0.07 1.44 0.01 0.00 0.01 0.00 0.00 54.97 56.50 1m3i s GLU 388 Cb -0.16 -2.72 -0.03 0.00 -4.31 0.00 0.00 34.13 26.91 1m3i s GLU 388 CO 0.10 0.10 -0.05 0.71 0.01 0.00 0.00 175.26 176.14 1m3i s TYR 389 N -1.60 0.61 -0.13 1.61 1.51 -0.10 -4.97 117.35 114.28 1m3i s TYR 389 Ca 0.53 -0.84 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 1m3i s TYR 389 Cb -0.21 -0.40 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1m3i s TYR 389 CO 0.27 -0.23 0.32 -1.12 -1.11 0.00 0.00 175.55 173.68 1m3i s SER 390 N -2.50 -0.36 0.76 2.29 0.01 -1.26 -0.59 113.70 112.06 1m3i s SER 390 Ca 0.02 0.67 -0.14 0.00 1.31 0.00 0.00 55.95 57.80 1m3i s SER 390 Cb 0.01 0.62 0.06 0.00 0.21 0.00 0.00 66.02 66.92 1m3i s SER 390 CO -0.05 -0.14 1.22 -1.59 0.41 0.00 0.00 173.24 173.08 1m3i s LYS 391 N 0.72 1.90 0.00 12.44 -2.85 -1.25 -4.71 119.74 126.00 1m3i s LYS 391 Ca -0.04 1.79 0.00 0.00 -1.00 0.00 0.00 55.97 56.71 1m3i s LYS 391 Cb -0.06 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 1m3i s LYS 391 CO -0.05 -2.02 0.00 0.41 0.10 0.00 0.00 175.35 173.79 1m3i n GLY 392 N 0.49 5.01 3.41 0.59 0.00 -1.19 -4.62 105.19 108.88 1m3i n GLY 392 Ca 0.14 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1m3i n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m3i s LYS 393 N 1.18 1.11 -0.24 1.61 0.00 -0.84 -0.90 119.74 121.65 1m3i s LYS 393 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 55.97 55.56 1m3i s LYS 393 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 37.83 38.29 1m3i s LYS 393 CO 0.00 -0.43 0.17 0.42 0.00 0.00 0.00 175.35 175.52 1m3i s ILE 394 N -2.83 5.35 -0.41 3.79 1.01 0.11 -0.71 121.20 127.50 1m3i s ILE 394 Ca -0.03 0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 1m3i s ILE 394 Cb -0.00 -3.51 0.09 0.00 0.01 0.00 0.00 42.46 39.04 1m3i s ILE 394 CO -0.05 0.33 0.23 0.20 0.00 0.00 0.00 174.94 175.65 1m3i s ASN 395 N 1.15 5.46 -0.02 3.58 0.02 0.59 -0.20 114.94 125.51 1m3i s ASN 395 Ca 0.08 -1.69 -0.16 0.00 -1.02 0.00 0.00 52.86 50.06 1m3i s ASN 395 Cb -0.14 -1.92 -0.05 0.00 0.02 0.00 0.00 41.25 39.16 1m3i s ASN 395 CO 0.05 -0.53 0.44 -0.76 0.02 0.00 0.00 177.10 176.32 1m3i s LEU 396 N 1.32 4.43 -0.18 0.60 1.43 -0.88 -0.50 118.68 124.88 1m3i s LEU 396 Ca 0.04 0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1m3i s LEU 396 Cb -0.23 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.41 1m3i s LEU 396 CO -0.00 0.23 0.11 -0.62 0.23 0.00 0.00 176.35 176.29 1m3i s ASP 397 N -0.61 2.34 -0.28 2.29 -1.08 -0.53 -2.75 116.67 116.06 1m3i s ASP 397 Ca 0.25 -0.63 -0.09 0.00 -0.52 0.00 0.00 52.55 51.56 1m3i s ASP 397 Cb -0.17 -0.18 -0.03 0.00 -1.46 0.00 0.00 42.92 41.08 1m3i s ASP 397 CO 0.13 -0.36 0.13 -2.28 0.52 0.00 0.00 175.17 173.31 1m3i s HIS 398 N 2.16 3.15 -0.04 -5.34 5.65 -0.32 -1.33 115.29 119.21 1m3i s HIS 398 Ca 0.03 -0.33 0.06 0.00 0.25 0.00 0.00 55.06 55.08 1m3i s HIS 398 Cb -0.16 -2.31 0.10 0.00 -1.18 0.00 0.00 32.58 29.03 1m3i s HIS 398 CO -0.12 -0.34 1.05 -1.13 -0.65 0.00 0.00 174.74 173.55 1m3i n SER 399 N 4.98 0.67 -4.84 9.88 3.41 -1.07 -1.02 113.62 125.62 1m3i n SER 399 Ca -0.15 -2.31 -0.34 0.00 -0.26 0.00 0.00 58.87 55.81 1m3i n SER 399 Cb 0.51 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1m3i n SER 399 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1m3i s GLY 400 N -1.56 2.43 -0.08 5.00 0.00 -1.26 -4.47 107.32 107.38 1m3i s GLY 400 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 1m3i s GLY 400 CO -0.00 0.24 3.01 0.00 0.00 0.00 0.00 173.10 176.34 1m3i n ALA 401 N 0.26 5.41 -3.69 3.20 0.00 -0.23 -4.38 120.51 121.09 1m3i n ALA 401 Ca -0.01 -1.56 -0.08 0.00 0.00 0.00 0.00 53.44 51.79 1m3i n ALA 401 Cb 0.52 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 1m3i n ALA 401 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1m3i s TYR 402 N 1.46 0.07 -0.15 0.00 -0.85 -1.26 -4.53 117.35 112.08 1m3i s TYR 402 Ca 0.54 -0.58 -0.12 0.00 -0.52 0.00 0.00 57.07 56.40 1m3i s TYR 402 Cb 0.25 0.63 -0.05 0.00 0.38 0.00 0.00 41.96 43.18 1m3i s TYR 402 CO -0.00 -1.31 0.25 0.08 -1.52 0.00 0.00 175.55 173.05 1m3i s VAL 403 N -3.34 5.33 0.12 -3.49 1.01 -1.26 -4.58 120.40 114.19 1m3i s VAL 403 Ca 0.15 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1m3i s VAL 403 Cb -0.05 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1m3i s VAL 403 CO 0.10 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.53 1m3i s ALA 404 N 0.14 1.32 -0.04 5.51 0.00 -0.89 -2.60 121.76 125.21 1m3i s ALA 404 Ca 0.15 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.79 1m3i s ALA 404 Cb -0.13 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1m3i s ALA 404 CO 0.03 -0.05 -0.12 -0.65 0.00 0.00 0.00 175.76 174.97 1m3i s GLN 405 N -3.27 1.33 0.17 0.00 -0.21 -0.79 -0.79 119.66 116.10 1m3i s GLN 405 Ca 0.12 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.11 1m3i s GLN 405 Cb -0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.79 1m3i s GLN 405 CO 0.00 0.14 0.31 -0.06 -2.12 0.00 0.00 175.29 173.57 1m3i s PHE 406 N 0.22 3.48 -0.30 0.91 0.40 -1.26 -1.78 117.98 119.66 1m3i s PHE 406 Ca -0.05 0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1m3i s PHE 406 Cb -0.11 -1.67 0.10 0.00 0.51 0.00 0.00 43.02 41.85 1m3i s PHE 406 CO 0.01 0.48 0.13 -2.00 0.70 0.00 0.00 175.22 174.55 1m3i s GLU 407 N -3.39 0.25 -0.14 0.44 2.12 0.23 -0.79 118.70 117.42 1m3i s GLU 407 Ca 0.35 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.07 1m3i s GLU 407 Cb -0.11 -1.23 0.01 0.00 0.26 0.00 0.00 34.13 33.06 1m3i s GLU 407 CO 0.29 -1.03 -0.21 0.08 -0.54 0.00 0.00 175.26 173.85 1m3i s VAL 408 N 1.99 2.16 0.08 3.70 1.01 -1.26 0.01 120.40 128.09 1m3i s VAL 408 Ca 0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1m3i s VAL 408 Cb -0.17 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1m3i s VAL 408 CO -0.33 0.54 0.24 0.00 0.00 0.00 0.00 175.10 175.55 1m3i s ALA 409 N 0.82 -0.42 0.33 5.51 0.00 -0.69 -1.45 121.76 125.86 1m3i s ALA 409 Ca -0.07 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1m3i s ALA 409 Cb -0.15 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.50 1m3i s ALA 409 CO -0.02 -0.50 0.85 1.67 0.00 0.00 0.00 175.76 177.77 1m3i s TRP 410 N -3.50 0.09 0.19 0.00 -2.14 -0.76 -0.12 118.94 112.70 1m3i s TRP 410 Ca 0.02 -0.68 0.11 0.00 2.66 0.00 0.00 56.10 58.21 1m3i s TRP 410 Cb 0.03 0.80 -0.04 0.00 -3.10 0.00 0.00 33.47 31.15 1m3i s TRP 410 CO -0.09 -1.38 -0.24 -0.51 -2.66 0.00 0.00 176.95 172.07 1m3i s ASP 411 N -3.15 3.43 -0.28 -2.66 -0.00 0.11 -1.04 116.67 113.08 1m3i s ASP 411 Ca 0.17 -0.87 -0.01 0.00 -0.00 0.00 0.00 52.55 51.85 1m3i s ASP 411 Cb -0.04 -0.25 0.05 0.00 -0.00 0.00 0.00 42.92 42.67 1m3i s ASP 411 CO 0.09 0.12 -0.04 -1.61 -0.00 0.00 0.00 175.17 173.74 1m3i s GLU 412 N -2.66 2.46 0.35 8.23 2.02 0.64 -0.07 118.70 129.67 1m3i s GLU 412 Ca 0.21 -1.23 -0.27 0.00 0.02 0.00 0.00 54.97 53.70 1m3i s GLU 412 Cb -0.08 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 1m3i s GLU 412 CO 0.10 -0.57 1.14 0.54 0.02 0.00 0.00 175.26 176.49 1m3i s VAL 413 N 1.23 3.33 0.12 2.63 0.11 -0.69 -1.26 120.40 125.86 1m3i s VAL 413 Ca -0.05 1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 60.12 1m3i s VAL 413 Cb -0.19 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 30.95 1m3i s VAL 413 CO -0.03 0.17 0.18 -0.44 -3.33 0.00 0.00 175.10 171.66 1m3i s SER 414 N -1.07 0.15 -0.05 3.54 0.01 -0.51 -4.94 113.70 110.83 1m3i s SER 414 Ca 0.52 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 1m3i s SER 414 Cb -0.30 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.31 1m3i s SER 414 CO 0.39 -0.78 0.04 -0.31 0.41 0.00 0.00 173.24 172.98 1m3i s TYR 415 N -3.94 0.28 0.00 2.43 1.51 -1.26 0.21 117.35 116.59 1m3i s TYR 415 Ca 0.13 0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 1m3i s TYR 415 Cb 0.05 -0.60 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 1m3i s TYR 415 CO -0.05 -0.24 0.00 -0.40 -1.11 0.00 0.00 175.55 173.75 1m3i n ASP 416 N 5.24 -0.23 0.14 2.29 5.68 -1.03 -4.78 116.55 123.87 1m3i n ASP 416 Ca -0.04 -0.05 0.01 0.00 -0.50 0.00 0.00 54.79 54.20 1m3i n ASP 416 Cb 0.50 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.60 1m3i n ASP 416 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1m3i h LYS 417 N 0.00 0.00 -0.01 0.11 1.57 -1.94 -3.04 116.57 113.26 1m3i h LYS 417 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1m3i h LYS 417 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1m3i h LYS 417 CO 0.00 0.58 -0.06 0.39 -0.57 0.00 0.00 179.45 179.79 1m3i n GLU 418 N -3.44 1.22 -2.37 3.15 -0.58 -1.26 -4.87 120.64 112.50 1m3i n GLU 418 Ca 0.00 -0.57 -0.05 0.00 -0.42 0.00 0.00 57.16 56.12 1m3i n GLU 418 Cb 0.68 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.09 1m3i n GLU 418 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m3i n GLY 419 N 1.19 0.20 3.36 0.62 0.00 -1.15 -4.59 105.19 104.82 1m3i n GLY 419 Ca 0.18 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1m3i n GLY 419 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m3i s ASN 420 N -3.37 3.18 0.33 1.61 0.01 -1.26 -4.55 114.94 110.89 1m3i s ASN 420 Ca 0.03 -0.70 -0.29 0.00 -0.71 0.00 0.00 52.86 51.20 1m3i s ASN 420 Cb -0.00 -0.23 -0.10 0.00 0.41 0.00 0.00 41.25 41.33 1m3i s ASN 420 CO 0.24 0.19 1.33 -0.70 -1.51 0.00 0.00 177.10 176.64 1m3i s GLU 421 N -1.83 4.33 -0.31 -0.60 2.12 -1.26 -2.47 118.70 118.68 1m3i s GLU 421 Ca 0.13 2.25 -0.03 0.00 0.36 0.00 0.00 54.97 57.68 1m3i s GLU 421 Cb -0.10 -3.07 0.11 0.00 0.26 0.00 0.00 34.13 31.33 1m3i s GLU 421 CO 0.05 -0.23 0.14 0.08 -0.54 0.00 0.00 175.26 174.77 1m3i s VAL 422 N -1.08 0.17 -0.25 3.70 1.01 0.13 -4.92 120.40 119.17 1m3i s VAL 422 Ca 0.50 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 1m3i s VAL 422 Cb -0.40 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1m3i s VAL 422 CO 0.53 -0.78 0.88 -0.76 0.00 0.00 0.00 175.10 174.97 1m3i s LEU 423 N 1.77 4.08 -0.36 3.92 1.43 -1.26 -1.43 118.68 126.83 1m3i s LEU 423 Ca 0.11 1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 54.16 1m3i s LEU 423 Cb -0.18 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.81 1m3i s LEU 423 CO -0.27 -0.58 0.19 -0.89 0.23 0.00 0.00 176.35 175.03 1m3i s THR 424 N 2.97 4.44 0.32 5.49 2.01 -0.39 -4.88 115.64 125.60 1m3i s THR 424 Ca 0.37 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 1m3i s THR 424 Cb -0.15 -3.47 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 1m3i s THR 424 CO 0.08 -0.20 1.17 -2.28 -0.69 0.00 0.00 174.62 172.70 1m3i s HIS 425 N 1.53 3.32 0.05 4.92 2.46 -1.26 -0.26 115.29 126.05 1m3i s HIS 425 Ca 0.02 1.59 0.03 0.00 0.47 0.00 0.00 55.06 57.16 1m3i s HIS 425 Cb -0.19 -3.42 -0.03 0.00 -0.13 0.00 0.00 32.58 28.82 1m3i s HIS 425 CO 0.06 -1.08 -0.09 0.15 -2.47 0.00 0.00 174.74 171.31 1m3i s LYS 426 N -1.74 0.62 0.15 2.88 -0.14 -0.21 -4.92 119.74 116.38 1m3i s LYS 426 Ca 0.49 -0.84 0.02 0.00 -1.36 0.00 0.00 55.97 54.27 1m3i s LYS 426 Cb -0.34 -0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 35.34 1m3i s LYS 426 CO 0.44 0.08 -0.02 0.95 -0.76 0.00 0.00 175.35 176.04 1m3i s THR 427 N -1.47 0.65 -0.02 2.17 -4.23 -1.26 -1.83 115.64 109.65 1m3i s THR 427 Ca -0.07 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1m3i s THR 427 Cb -0.09 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1m3i s THR 427 CO 0.01 -0.60 0.32 0.86 -0.54 0.00 0.00 174.62 174.67 1m3i s TRP 428 N -3.67 3.66 0.08 3.99 -0.00 -0.53 -4.99 118.94 117.49 1m3i s TRP 428 Ca 0.20 0.80 -0.29 0.00 -0.00 0.00 0.00 56.10 56.81 1m3i s TRP 428 Cb 0.06 -2.15 -0.16 0.00 -0.00 0.00 0.00 33.47 31.22 1m3i s TRP 428 CO 0.01 0.65 1.67 -0.44 -0.00 0.00 0.00 176.95 178.83 1m3i h ASP 429 N 4.53 -0.52 0.00 5.86 5.19 -2.00 -2.54 116.42 126.95 1m3i h ASP 429 Ca -0.52 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1m3i h ASP 429 Cb 1.22 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1m3i h ASP 429 CO 0.62 -0.34 0.00 0.61 -3.12 0.00 0.00 179.24 177.01 1m3i n GLY 430 N -1.34 -0.03 3.75 2.75 0.00 -1.26 -4.74 105.19 104.32 1m3i n GLY 430 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1m3i n GLY 430 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m3i s ASN 431 N -1.84 7.28 -1.71 1.61 -0.87 -0.96 -3.40 114.94 115.05 1m3i s ASN 431 Ca 0.00 2.21 0.00 0.00 -1.57 0.00 0.00 52.86 53.50 1m3i s ASN 431 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1m3i s ASN 431 CO 0.00 -0.15 0.00 -1.22 -2.57 0.00 0.00 177.10 173.16 1m3i n TYR 432 N 1.55 -0.46 -5.07 2.20 0.53 0.03 -4.93 117.16 111.00 1m3i n TYR 432 Ca -0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.56 1m3i n TYR 432 Cb 0.45 -3.34 -0.16 0.00 -1.03 0.00 0.00 39.34 35.26 1m3i n TYR 432 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1m3i s GLN 433 N -4.27 2.96 0.65 -0.72 -0.21 -1.22 -4.98 119.66 111.87 1m3i s GLN 433 Ca 0.00 -0.81 -0.18 0.00 0.02 0.00 0.00 55.36 54.39 1m3i s GLN 433 Cb 0.00 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1m3i s GLN 433 CO 0.00 0.29 1.04 -0.25 -2.12 0.00 0.00 175.29 174.25 1m3i n ASP 434 N 3.24 0.97 -3.79 5.90 8.00 -1.26 -4.32 116.55 125.29 1m3i n ASP 434 Ca -0.18 0.77 -0.13 0.00 0.71 0.00 0.00 54.79 55.96 1m3i n ASP 434 Cb 0.53 -1.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.08 1m3i n ASP 434 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1m3i s LYS 435 N -3.06 0.30 0.26 -1.24 -0.14 0.03 -4.94 119.74 110.96 1m3i s LYS 435 Ca 0.77 0.29 0.01 0.00 -1.36 0.00 0.00 55.97 55.68 1m3i s LYS 435 Cb -0.39 0.15 -0.00 0.00 -1.68 0.00 0.00 37.83 35.90 1m3i s LYS 435 CO 0.46 -0.04 0.04 0.25 -0.76 0.00 0.00 175.35 175.30 1m3i n THR 436 N 2.83 0.00 -0.14 2.17 -2.24 -1.26 -2.10 114.28 113.54 1m3i n THR 436 Ca -0.13 -1.34 -0.06 0.00 -2.27 0.00 0.00 64.05 60.24 1m3i n THR 436 Cb 0.58 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1m3i n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m3i n ALA 437 N -2.01 0.02 -3.01 6.98 0.00 -1.26 -2.85 120.51 118.39 1m3i n ALA 437 Ca -0.10 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1m3i n ALA 437 Cb 0.35 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.58 1m3i n ALA 437 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1m3i n HIS 438 N 0.85 -2.94 -4.83 0.00 -0.00 -0.19 -5.00 115.22 103.10 1m3i n HIS 438 Ca 0.06 1.24 -0.33 0.00 -0.00 0.00 0.00 57.72 58.69 1m3i n HIS 438 Cb -0.00 -3.12 -0.15 0.00 -0.00 0.00 0.00 29.99 26.71 1m3i n HIS 438 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1m3i s TYR 439 N -1.86 2.74 0.15 1.57 6.14 -0.31 -4.95 117.35 120.83 1m3i s TYR 439 Ca 0.17 -0.84 0.08 0.00 0.64 0.00 0.00 57.07 57.12 1m3i s TYR 439 Cb -0.03 -1.82 -0.04 0.00 0.42 0.00 0.00 41.96 40.49 1m3i s TYR 439 CO 0.68 -0.33 -0.18 -1.12 0.64 0.00 0.00 175.55 175.25 1m3i s SER 440 N 0.46 2.57 -0.19 4.32 0.01 -1.26 -1.18 113.70 118.43 1m3i s SER 440 Ca -0.12 -0.84 -0.31 0.00 1.31 0.00 0.00 55.95 55.99 1m3i s SER 440 Cb -0.16 -0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.07 1m3i s SER 440 CO 0.05 -0.05 1.15 0.28 0.41 0.00 0.00 173.24 175.09 1m3i s THR 441 N -2.00 0.00 -0.08 1.44 -1.32 -1.11 -5.02 115.64 107.55 1m3i s THR 441 Ca 0.14 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.67 1m3i s THR 441 Cb -0.06 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1m3i s THR 441 CO 0.06 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.54 1m3i s VAL 442 N -1.61 1.97 -0.38 5.08 1.01 -1.26 -2.07 120.40 123.13 1m3i s VAL 442 Ca 0.05 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1m3i s VAL 442 Cb -0.01 -1.69 0.11 0.00 0.00 0.00 0.00 36.38 34.79 1m3i s VAL 442 CO -0.04 0.54 0.14 -0.63 0.00 0.00 0.00 175.10 175.11 1m3i s ILE 443 N 0.13 2.81 0.60 2.22 1.01 0.72 -4.94 121.20 123.74 1m3i s ILE 443 Ca -0.11 -2.24 -0.18 0.00 0.00 0.00 0.00 60.65 58.11 1m3i s ILE 443 Cb -0.16 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1m3i s ILE 443 CO 0.06 -0.66 1.18 -2.84 0.00 0.00 0.00 174.94 172.68 1m3i s PRO 444 N 0.97 3.00 0.01 2.79 0.02 -1.26 0.05 135.00 140.58 1m3i s PRO 444 Ca 0.10 1.72 0.03 0.00 0.02 0.00 0.00 61.00 62.87 1m3i s PRO 444 Cb -0.21 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1m3i s PRO 444 CO -0.06 -1.16 -0.10 -0.51 -0.33 0.00 0.00 177.00 174.84 1m3i s LEU 445 N -4.15 2.07 0.75 -5.54 1.43 -0.08 -4.86 118.68 108.30 1m3i s LEU 445 Ca 0.75 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1m3i s LEU 445 Cb -0.27 -0.49 0.04 0.00 0.03 0.00 0.00 46.19 45.50 1m3i s LEU 445 CO 0.33 0.07 1.08 -1.61 0.23 0.00 0.00 176.35 176.45 1m3i s GLU 446 N -0.55 2.44 0.46 1.70 0.41 -1.26 -3.14 118.70 118.77 1m3i s GLU 446 Ca 0.02 0.96 0.31 0.00 -0.41 0.00 0.00 54.97 55.86 1m3i s GLU 446 Cb -0.05 -1.93 1.51 0.00 -1.78 0.00 0.00 34.13 31.87 1m3i s GLU 446 CO 0.00 -1.46 1.95 0.00 -0.49 0.00 0.00 175.26 175.26 1m3i h ALA 447 N -0.98 1.00 -0.99 5.21 0.00 -1.86 -2.85 119.26 118.79 1m3i h ALA 447 Ca -0.45 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 1m3i h ALA 447 Cb 1.23 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 1m3i h ALA 447 CO 0.55 0.00 0.73 0.27 0.00 0.00 0.00 179.25 180.80 1m3i n ASN 448 N -2.70 7.38 -4.61 0.00 6.94 -1.26 -4.48 115.26 116.53 1m3i n ASN 448 Ca -0.00 -3.79 -0.39 0.00 -0.02 0.00 0.00 54.58 50.37 1m3i n ASN 448 Cb 0.17 -0.93 -0.09 0.00 -2.36 0.00 0.00 39.78 36.57 1m3i n ASN 448 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1m3i s ALA 449 N -3.85 3.56 0.29 -2.53 0.00 -1.08 -1.71 121.76 116.44 1m3i s ALA 449 Ca 0.61 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1m3i s ALA 449 Cb 0.49 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 1m3i s ALA 449 CO -0.08 -0.59 -0.06 1.03 0.00 0.00 0.00 175.76 176.06 1m3i s ARG 450 N 1.91 1.58 -1.44 0.00 3.00 0.90 -4.67 118.95 120.23 1m3i s ARG 450 Ca 0.14 -1.80 -0.04 0.00 0.00 0.00 0.00 55.73 54.03 1m3i s ARG 450 Cb -0.16 -1.19 0.03 0.00 0.00 0.00 0.00 34.95 33.64 1m3i s ARG 450 CO 0.10 0.04 0.60 0.09 0.00 0.00 0.00 175.30 176.12 1m3i n ASN 451 N -0.60 -1.44 -4.67 0.23 5.03 -1.26 0.08 115.26 112.62 1m3i n ASN 451 Ca -0.05 -0.94 -0.43 0.00 0.87 0.00 0.00 54.58 54.03 1m3i n ASN 451 Cb 0.63 -3.35 -0.02 0.00 -1.02 0.00 0.00 39.78 36.02 1m3i n ASN 451 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1m3i s ILE 452 N -3.73 4.12 -0.11 2.41 1.01 -1.26 -4.19 121.20 119.45 1m3i s ILE 452 Ca 0.18 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.26 1m3i s ILE 452 Cb -0.09 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1m3i s ILE 452 CO 0.87 -0.08 -0.21 0.00 0.00 0.00 0.00 174.94 175.52 1m3i s ARG 453 N 3.10 2.80 -0.19 2.79 1.70 0.84 0.90 118.95 130.89 1m3i s ARG 453 Ca 0.58 -0.78 0.01 0.00 -0.47 0.00 0.00 55.73 55.07 1m3i s ARG 453 Cb -0.25 -2.21 0.03 0.00 -0.57 0.00 0.00 34.95 31.94 1m3i s ARG 453 CO 0.20 0.05 -0.18 0.42 -1.08 0.00 0.00 175.30 174.71 1m3i s ILE 454 N 0.65 2.04 0.03 4.99 1.01 -0.89 -1.70 121.20 127.34 1m3i s ILE 454 Ca -0.12 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.57 1m3i s ILE 454 Cb -0.16 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1m3i s ILE 454 CO 0.03 0.46 -0.17 -0.75 0.00 0.00 0.00 174.94 174.51 1m3i s LYS 455 N 1.28 1.16 -0.03 2.79 2.20 0.10 -1.67 119.74 125.58 1m3i s LYS 455 Ca 0.03 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.87 1m3i s LYS 455 Cb -0.14 -1.20 0.03 0.00 -1.51 0.00 0.00 37.83 35.02 1m3i s LYS 455 CO -0.12 0.31 0.04 0.00 -0.36 0.00 0.00 175.35 175.22 1m3i s ALA 456 N -0.71 0.15 0.06 3.13 0.00 -0.07 0.75 121.76 125.06 1m3i s ALA 456 Ca 0.05 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.36 1m3i s ALA 456 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1m3i s ALA 456 CO 0.01 -0.27 -0.26 1.03 0.00 0.00 0.00 175.76 176.27 1m3i s ARG 457 N 1.54 1.74 0.31 0.00 3.00 -0.73 -1.49 118.95 123.31 1m3i s ARG 457 Ca -0.03 -1.15 -0.05 0.00 0.00 0.00 0.00 55.73 54.49 1m3i s ARG 457 Cb -0.13 -1.97 0.07 0.00 0.00 0.00 0.00 34.95 32.92 1m3i s ARG 457 CO -0.03 0.50 0.39 -1.91 0.00 0.00 0.00 175.30 174.26 1m3i n GLU 458 N 1.60 -0.64 -2.44 3.54 2.13 0.24 -1.89 120.64 123.19 1m3i n GLU 458 Ca -0.17 -0.61 -0.26 0.00 0.66 0.00 0.00 57.16 56.78 1m3i n GLU 458 Cb 0.52 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1m3i n GLU 458 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1m3i s THR 460 N -5.31 4.07 0.00 0.00 2.01 -1.26 -4.89 115.64 110.26 1m3i s THR 460 Ca 0.47 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1m3i s THR 460 Cb 0.40 -4.75 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1m3i s THR 460 CO -0.15 -1.54 0.00 0.61 -0.69 0.00 0.00 174.62 172.85 1m3i n GLY 461 N 5.28 -0.48 0.00 4.40 0.00 -1.26 -4.44 105.19 108.68 1m3i n GLY 461 Ca 0.01 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1m3i n GLY 461 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m3i n LEU 462 N 0.00 0.00 -4.95 0.99 4.77 -1.26 -4.98 117.00 111.57 1m3i n LEU 462 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1m3i n LEU 462 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1m3i n LEU 462 CO 0.00 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 176.64 1m3i s ALA 463 N -2.48 3.29 0.11 -1.18 0.00 -1.26 -4.93 121.76 115.32 1m3i s ALA 463 Ca 0.00 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 50.62 1m3i s ALA 463 Cb 0.00 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 1m3i s ALA 463 CO 0.00 -1.31 1.28 1.87 0.00 0.00 0.00 175.76 177.60 1m3i n TRP 464 N -2.87 -0.31 0.04 0.00 -0.00 -1.26 -0.00 117.44 113.04 1m3i n TRP 464 Ca 0.09 0.88 0.00 0.00 -0.00 0.00 0.00 57.50 58.47 1m3i n TRP 464 Cb 0.60 -0.55 0.00 0.00 -0.00 0.00 0.00 31.31 31.37 1m3i n TRP 464 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1m3i n GLU 465 N -4.63 0.04 0.00 5.87 -0.58 -1.26 -1.29 120.64 118.79 1m3i n GLU 465 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1m3i n GLU 465 Cb 0.18 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1m3i n GLU 465 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1m3i n TRP 466 N 0.78 0.00 -2.63 -0.32 8.01 1.00 -5.14 117.44 119.14 1m3i n TRP 466 Ca 0.00 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.97 1m3i n TRP 466 Cb 0.02 0.04 0.06 0.00 -2.01 0.00 0.00 31.31 29.41 1m3i n TRP 466 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 1m3i s TRP 467 N 0.00 2.44 0.17 -5.99 0.51 -0.41 -4.76 118.94 110.90 1m3i s TRP 467 Ca 0.00 -0.11 -0.24 0.00 -2.12 0.00 0.00 56.10 53.63 1m3i s TRP 467 Cb 0.00 -2.80 -0.08 0.00 -0.81 0.00 0.00 33.47 29.78 1m3i s TRP 467 CO 0.00 -1.13 0.75 0.50 -0.51 0.00 0.00 176.95 176.56 1m3i s ARG 468 N -4.87 4.47 0.04 4.98 3.52 -1.26 -4.90 118.95 120.92 1m3i s ARG 468 Ca 0.60 1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 57.04 1m3i s ARG 468 Cb -0.09 -3.16 -0.06 0.00 -1.56 0.00 0.00 34.95 30.08 1m3i s ARG 468 CO 0.40 0.53 0.67 -0.51 -0.81 0.00 0.00 175.30 175.58 1m3i s ASP 469 N -1.27 7.10 -0.11 -2.12 1.01 -1.26 -0.59 116.67 119.42 1m3i s ASP 469 Ca 0.37 1.31 0.14 0.00 0.71 0.00 0.00 52.55 55.09 1m3i s ASP 469 Cb -0.21 -2.41 -0.21 0.00 1.01 0.00 0.00 42.92 41.10 1m3i s ASP 469 CO 0.24 0.10 0.14 0.52 0.21 0.00 0.00 175.17 176.38 1m3i n VAL 470 N 2.55 0.76 -3.64 -1.27 0.31 -0.56 -4.90 118.33 111.58 1m3i n VAL 470 Ca -0.06 -0.57 -0.06 0.00 -0.01 0.00 0.00 64.34 63.64 1m3i n VAL 470 Cb 0.50 -0.40 -0.07 0.00 -0.91 0.00 0.00 33.84 32.97 1m3i n VAL 470 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1m3i s ILE 471 N -2.58 0.00 -0.15 2.52 2.07 -1.06 -4.21 121.20 117.79 1m3i s ILE 471 Ca -0.07 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1m3i s ILE 471 Cb 0.06 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.71 1m3i s ILE 471 CO 0.64 0.00 0.08 -0.55 -1.91 0.00 0.00 174.94 173.20 1m3i s SER 472 N 1.31 2.13 -0.01 4.50 0.15 -1.26 -0.89 113.70 119.62 1m3i s SER 472 Ca -0.08 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.14 1m3i s SER 472 Cb -0.05 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1m3i s SER 472 CO -0.15 -0.33 -0.18 -1.61 1.20 0.00 0.00 173.24 172.17 1m3i s GLU 473 N 2.14 1.46 0.14 5.44 0.41 -0.67 -5.04 118.70 122.58 1m3i s GLU 473 Ca 0.03 -0.64 0.09 0.00 -0.41 0.00 0.00 54.97 54.03 1m3i s GLU 473 Cb -0.15 -1.41 -0.04 0.00 -1.78 0.00 0.00 34.13 30.75 1m3i s GLU 473 CO -0.08 0.39 -0.21 0.71 -0.49 0.00 0.00 175.26 175.57 1m3i s TYR 474 N -0.42 1.95 -1.40 1.61 1.51 -1.26 -2.09 117.35 117.24 1m3i s TYR 474 Ca 0.07 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1m3i s TYR 474 Cb -0.07 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 1m3i s TYR 474 CO -0.01 0.31 0.38 -3.47 -1.11 0.00 0.00 175.55 171.65 1m3i n ASP 475 N 0.68 -0.58 -4.71 2.29 -0.08 -0.77 -4.86 116.55 108.52 1m3i n ASP 475 Ca -0.16 -1.07 -0.42 0.00 -1.51 0.00 0.00 54.79 51.63 1m3i n ASP 475 Cb 0.55 -2.74 -0.03 0.00 2.34 0.00 0.00 41.12 41.24 1m3i n ASP 475 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1m3i s VAL 476 N -3.99 3.05 -0.15 5.18 1.01 0.26 -4.76 120.40 121.00 1m3i s VAL 476 Ca 0.06 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 1m3i s VAL 476 Cb -0.02 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1m3i s VAL 476 CO 0.91 0.04 2.01 -2.16 0.00 0.00 0.00 175.10 175.90 1m3i s PRO 477 N 1.49 3.56 -0.23 2.72 0.04 -1.26 -4.15 135.00 137.17 1m3i s PRO 477 Ca 0.68 2.10 -0.32 0.00 0.04 0.00 0.00 61.00 63.49 1m3i s PRO 477 Cb -0.39 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 29.82 1m3i s PRO 477 CO 0.31 -1.60 2.12 -0.11 0.04 0.00 0.00 177.00 177.76 1m3i n LEU 478 N 9.78 2.92 0.00 -3.56 7.94 -1.26 -4.92 117.00 127.90 1m3i n LEU 478 Ca 0.24 0.48 -0.21 0.00 -1.11 0.00 0.00 56.01 55.42 1m3i n LEU 478 Cb 0.44 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.93 1m3i n LEU 478 CO 0.66 -0.53 -0.14 0.35 -1.11 0.00 0.00 177.39 176.63 1m3i n THR 479 N 6.86 0.00 0.12 1.96 -2.24 -1.26 -4.99 114.28 114.73 1m3i n THR 479 Ca 0.32 -1.74 -0.03 0.00 -2.27 0.00 0.00 64.05 60.34 1m3i n THR 479 Cb 0.33 0.50 0.16 0.00 -2.10 0.00 0.00 70.33 69.21 1m3i n THR 479 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1m3i h ASN 480 N 1.05 0.11 -2.64 3.42 2.35 -1.64 -3.27 115.58 114.96 1m3i h ASN 480 Ca -0.27 -0.07 -0.35 0.00 -0.55 0.00 0.00 56.30 55.07 1m3i h ASN 480 Cb 0.90 -0.03 -0.37 0.00 0.05 0.00 0.00 38.32 38.87 1m3i h ASN 480 CO 0.43 0.69 -0.65 0.20 -1.65 0.00 0.00 177.43 176.45 1m3i s ASN 481 N -6.87 1.59 -0.59 5.81 0.01 -1.11 -1.99 114.94 111.79 1m3i s ASN 481 Ca -0.02 -0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 51.69 1m3i s ASN 481 Cb 0.12 0.24 0.15 0.00 0.41 0.00 0.00 41.25 42.18 1m3i s ASN 481 CO 0.78 -0.33 0.52 -0.63 -1.51 0.00 0.00 177.10 175.92 1m3i s ILE 482 N 2.28 4.93 -0.75 0.60 1.01 0.11 -1.90 121.20 127.49 1m3i s ILE 482 Ca 0.06 -1.90 -0.21 0.00 0.00 0.00 0.00 60.65 58.59 1m3i s ILE 482 Cb -0.16 -4.15 0.09 0.00 0.01 0.00 0.00 42.46 38.25 1m3i s ILE 482 CO -0.11 -0.88 1.02 0.20 0.00 0.00 0.00 174.94 175.17 1m3i s ASN 483 N 2.82 6.32 -0.01 3.58 -0.87 -0.52 -0.30 114.94 125.96 1m3i s ASN 483 Ca 0.08 -1.34 -0.09 0.00 -1.57 0.00 0.00 52.86 49.94 1m3i s ASN 483 Cb -0.24 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.25 38.53 1m3i s ASN 483 CO -0.01 -1.32 0.29 -0.69 -2.57 0.00 0.00 177.10 172.80 1m3i s VAL 484 N 3.64 5.25 -0.28 1.60 1.01 0.34 -0.92 120.40 131.03 1m3i s VAL 484 Ca 0.26 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 1m3i s VAL 484 Cb -0.13 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.77 1m3i s VAL 484 CO 0.03 0.47 0.76 -0.94 0.00 0.00 0.00 175.10 175.43 1m3i s SER 485 N -1.38 -0.83 0.34 3.32 1.04 -0.27 -1.45 113.70 114.48 1m3i s SER 485 Ca 0.24 1.35 0.08 0.00 0.48 0.00 0.00 55.95 58.10 1m3i s SER 485 Cb -0.14 1.34 -0.04 0.00 0.10 0.00 0.00 66.02 67.28 1m3i s SER 485 CO 0.13 -0.21 0.14 0.27 0.98 0.00 0.00 173.24 174.54 1m3i s ILE 486 N 1.47 2.97 0.00 -1.02 -4.36 -0.44 -0.46 121.20 119.36 1m3i s ILE 486 Ca -0.09 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1m3i s ILE 486 Cb -0.05 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.70 1m3i s ILE 486 CO -0.17 -0.17 0.00 -2.67 0.24 0.00 0.00 174.94 172.16 1m3i n TRP 487 N -1.14 -0.13 -3.84 1.37 2.14 0.57 -2.60 117.44 113.80 1m3i n TRP 487 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1m3i n TRP 487 Cb 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.11 1m3i n TRP 487 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1m3i n GLY 488 N 0.00 -1.54 3.85 -1.67 0.00 -1.26 -0.47 105.19 104.09 1m3i n GLY 488 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 1m3i n GLY 488 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m3i s THR 489 N 0.00 2.52 0.25 2.61 -4.23 -1.10 -1.06 115.64 114.62 1m3i s THR 489 Ca 0.00 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1m3i s THR 489 Cb 0.00 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.13 1m3i s THR 489 CO 0.00 0.00 1.89 0.74 -0.54 0.00 0.00 174.62 176.71 1m3i h THR 490 N 1.09 1.15 0.17 3.99 2.02 -1.93 1.00 112.91 120.39 1m3i h THR 490 Ca -0.41 -0.40 -0.30 0.00 0.77 0.00 0.00 66.41 66.07 1m3i h THR 490 Cb 1.27 -0.13 0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1m3i h THR 490 CO 0.60 0.21 -1.32 -0.07 0.37 0.00 0.00 175.52 175.32 1m3i h LEU 491 N 1.18 0.58 -5.61 2.58 3.38 -1.98 -3.38 115.31 112.06 1m3i h LEU 491 Ca 0.38 -0.61 -0.59 0.00 0.09 0.00 0.00 57.88 57.15 1m3i h LEU 491 Cb 0.02 -0.19 -0.42 0.00 0.09 0.00 0.00 40.66 40.16 1m3i h LEU 491 CO -0.13 1.48 -0.65 -1.22 0.09 0.00 0.00 178.44 178.01 1m3i n TYR 492 N -3.60 3.72 -0.63 1.13 4.02 -1.02 -5.10 117.16 115.68 1m3i n TYR 492 Ca -0.11 -4.03 -0.30 0.00 -0.01 0.00 0.00 57.90 53.45 1m3i n TYR 492 Cb 1.05 -0.51 0.21 0.00 -0.02 0.00 0.00 39.34 40.07 1m3i n TYR 492 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1m3i s PRO 493 N -3.09 -0.02 -0.07 -0.72 0.02 0.31 -2.72 135.00 128.71 1m3i s PRO 493 Ca 0.46 1.16 -0.10 0.00 0.02 0.00 0.00 61.00 62.53 1m3i s PRO 493 Cb 0.24 -1.63 0.02 0.00 0.02 0.00 0.00 34.50 33.15 1m3i s PRO 493 CO -0.10 -3.21 0.26 0.20 -0.33 0.00 0.00 177.00 173.82 1m3i s GLY 494 N -2.61 -0.16 0.16 0.52 0.00 0.38 -4.84 107.32 100.77 1m3i s GLY 494 Ca 0.68 0.56 -0.11 0.00 0.00 0.00 0.00 44.72 45.84 1m3i s GLY 494 CO 0.61 0.43 0.33 -1.35 0.00 0.00 0.00 173.10 173.12 1m3i s SER 495 N -0.33 -0.02 -0.07 1.64 1.04 -1.26 0.21 113.70 114.91 1m3i s SER 495 Ca -0.04 -0.74 -0.30 0.00 0.48 0.00 0.00 55.95 55.35 1m3i s SER 495 Cb -0.03 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.64 1m3i s SER 495 CO 0.01 -0.90 0.82 -0.94 0.98 0.00 0.00 173.24 173.21 1m3i s SER 496 N -2.93 -0.50 -0.05 7.02 1.04 0.39 -4.98 113.70 113.70 1m3i s SER 496 Ca 0.13 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 1m3i s SER 496 Cb 0.03 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1m3i s SER 496 CO -0.03 -0.54 0.00 -0.51 0.98 0.00 0.00 173.24 173.15 1m3i s ILE 497 N -1.60 0.28 0.39 -1.02 2.07 -1.25 -1.12 121.20 118.96 1m3i s ILE 497 Ca -0.04 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.38 1m3i s ILE 497 Cb -0.00 -0.41 -0.07 0.00 0.13 0.00 0.00 42.46 42.11 1m3i s ILE 497 CO 0.03 0.21 0.02 -0.89 -1.91 0.00 0.00 174.94 172.40 1m3i s THR 498 N 1.51 2.17 0.14 4.00 2.01 -0.10 -4.95 115.64 120.41 1m3i s THR 498 Ca -0.03 -1.97 0.05 0.00 0.31 0.00 0.00 61.69 60.05 1m3i s THR 498 Cb -0.13 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1m3i s THR 498 CO -0.03 -0.06 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.43 1m3i s TYR 499 N -2.65 1.28 0.00 4.92 1.51 -1.26 -1.44 117.35 119.72 1m3i s TYR 499 Ca 0.36 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1m3i s TYR 499 Cb 0.07 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1m3i s TYR 499 CO 0.19 0.10 0.00 0.09 -1.11 0.00 0.00 175.55 174.82