#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc0 n ASN 44 N 0.00 0.98 0.00 0.53 3.02 -1.26 -2.82 115.26 115.71 2wc0 n ASN 44 Ca 0.00 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2wc0 n ASN 44 Cb 0.00 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 2wc0 n ASN 44 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wc0 n PRO 45 N 4.62 0.00 0.00 3.52 -0.04 -1.26 -4.42 135.00 137.42 2wc0 n PRO 45 Ca 0.35 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 2wc0 n PRO 45 Cb -0.05 -0.26 0.18 0.00 -0.04 0.00 0.00 33.50 33.33 2wc0 n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wc0 n ALA 46 N -2.37 1.40 -2.65 0.55 0.00 -1.24 -4.65 120.51 111.56 2wc0 n ALA 46 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 2wc0 n ALA 46 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 2wc0 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wc0 s ILE 47 N -2.97 4.07 -1.77 0.00 1.01 -1.13 0.27 121.20 120.68 2wc0 s ILE 47 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2wc0 s ILE 47 Cb 0.06 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.78 2wc0 s ILE 47 CO 0.15 -1.50 0.48 1.17 0.00 0.00 0.00 174.94 175.24 2wc0 n LYS 48 N 8.38 0.54 -2.19 2.79 4.81 -0.10 0.73 118.16 133.12 2wc0 n LYS 48 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2wc0 n LYS 48 Cb 0.48 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.47 2wc0 n LYS 48 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2wc0 n ARG 49 N -0.33 0.09 -3.64 1.64 0.63 -1.12 -4.53 116.66 109.39 2wc0 n ARG 49 Ca 0.00 -0.25 -0.04 0.00 -0.92 0.00 0.00 57.85 56.64 2wc0 n ARG 49 Cb 0.03 0.37 -0.07 0.00 0.45 0.00 0.00 32.46 33.25 2wc0 n ARG 49 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2wc0 s ILE 50 N -2.27 0.00 -0.11 5.15 1.01 -1.26 -4.60 121.20 119.11 2wc0 s ILE 50 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 2wc0 s ILE 50 Cb -0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 2wc0 s ILE 50 CO 0.01 0.00 0.29 -0.83 0.00 0.00 0.00 174.94 174.41 2wc0 s GLY 51 N 0.64 2.26 0.07 6.18 0.00 0.32 -4.95 107.32 111.85 2wc0 s GLY 51 Ca -0.01 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 2wc0 s GLY 51 CO -0.12 0.20 1.39 3.43 0.00 0.00 0.00 173.10 178.01 2wc0 h ASN 52 N 5.86 -1.13 -2.11 1.64 -0.26 -1.98 -3.35 115.58 114.26 2wc0 h ASN 52 Ca -0.46 0.12 0.07 0.00 -0.56 0.00 0.00 56.30 55.47 2wc0 h ASN 52 Cb 1.19 0.42 -0.20 0.00 -1.06 0.00 0.00 38.32 38.67 2wc0 h ASN 52 CO 0.69 -0.39 -0.11 -2.28 -1.06 0.00 0.00 177.43 174.27 2wc0 s HIS 53 N -4.94 -1.32 -0.43 1.19 5.04 -1.26 -5.08 115.29 108.48 2wc0 s HIS 53 Ca -0.11 2.31 -0.23 0.00 -1.54 0.00 0.00 55.06 55.49 2wc0 s HIS 53 Cb 0.04 0.79 0.02 0.00 0.04 0.00 0.00 32.58 33.47 2wc0 s HIS 53 CO 0.43 -0.65 0.76 0.42 -2.34 0.00 0.00 174.74 173.35 2wc0 s ILE 54 N 2.76 4.69 0.19 0.89 -1.09 -1.26 -4.69 121.20 122.69 2wc0 s ILE 54 Ca -0.06 0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 58.48 2wc0 s ILE 54 Cb -0.11 -4.28 -0.10 0.00 -1.58 0.00 0.00 42.46 36.38 2wc0 s ILE 54 CO -0.19 -0.65 1.58 -0.89 -1.23 0.00 0.00 174.94 173.56 2wc0 s THR 55 N 3.17 2.50 0.21 2.92 2.01 -0.93 -4.94 115.64 120.58 2wc0 s THR 55 Ca 0.29 0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.69 2wc0 s THR 55 Cb -0.13 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 2wc0 s THR 55 CO 0.21 0.03 0.13 2.29 -0.69 0.00 0.00 174.62 176.60 2wc0 n LYS 56 N 3.69 0.41 -2.85 4.92 2.85 -1.26 -4.52 118.16 121.41 2wc0 n LYS 56 Ca 0.13 -1.95 -0.35 0.00 -1.05 0.00 0.00 58.31 55.09 2wc0 n LYS 56 Cb 0.38 1.40 -0.07 0.00 -0.65 0.00 0.00 35.03 36.10 2wc0 n LYS 56 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2wc0 s SER 57 N -2.38 7.13 0.30 -5.58 0.15 -1.26 -4.93 113.70 107.13 2wc0 s SER 57 Ca 0.19 1.71 0.05 0.00 0.70 0.00 0.00 55.95 58.60 2wc0 s SER 57 Cb 0.01 -2.54 0.70 0.00 -1.71 0.00 0.00 66.02 62.49 2wc0 s SER 57 CO 0.13 -0.17 1.80 -0.65 1.20 0.00 0.00 173.24 175.55 2wc0 h PRO 58 N 2.67 0.79 0.00 5.44 0.11 -1.88 -1.70 132.00 137.43 2wc0 h PRO 58 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2wc0 h PRO 58 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wc0 h PRO 58 CO 0.64 0.52 0.00 0.93 -0.21 0.00 0.00 178.00 179.88 2wc0 h GLU 59 N 0.82 0.00 -6.37 1.05 4.39 -1.92 -3.45 114.58 109.09 2wc0 h GLU 59 Ca 0.55 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.68 2wc0 h GLU 59 Cb 0.80 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 2wc0 h GLU 59 CO -0.34 0.00 0.88 0.34 -1.16 0.00 0.00 179.01 178.73 2wc0 s ASP 60 N -4.51 6.85 0.02 1.42 -1.08 -0.64 -4.90 116.67 113.83 2wc0 s ASP 60 Ca 0.08 1.00 0.27 0.00 -0.52 0.00 0.00 52.55 53.37 2wc0 s ASP 60 Cb 0.11 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.85 2wc0 s ASP 60 CO 0.52 -0.96 1.65 0.29 0.52 0.00 0.00 175.17 177.18 2wc0 n LYS 61 N 7.07 0.03 -1.20 4.34 4.76 -1.26 -4.86 118.16 127.05 2wc0 n LYS 61 Ca 0.12 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.29 2wc0 n LYS 61 Cb 0.47 -1.53 0.15 0.00 -1.84 0.00 0.00 35.03 32.28 2wc0 n LYS 61 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wc0 s ARG 62 N -3.02 0.96 0.08 1.97 0.52 -1.26 -5.01 118.95 113.20 2wc0 s ARG 62 Ca 0.12 0.70 0.05 0.00 -0.52 0.00 0.00 55.73 56.08 2wc0 s ARG 62 Cb 0.18 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.83 2wc0 s ARG 62 CO 0.62 -2.41 -0.13 -1.21 0.02 0.00 0.00 175.30 172.19 2wc0 s GLU 63 N -4.95 0.85 0.03 3.54 2.02 -0.81 -4.97 118.70 114.40 2wc0 s GLU 63 Ca 0.64 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.61 2wc0 s GLU 63 Cb -0.18 -0.78 -0.02 0.00 0.10 0.00 0.00 34.13 33.25 2wc0 s GLU 63 CO 0.57 0.16 -0.05 0.71 0.02 0.00 0.00 175.26 176.68 2wc0 s TYR 64 N -1.60 0.39 -0.26 1.61 1.51 -1.26 0.03 117.35 117.78 2wc0 s TYR 64 Ca 0.01 -0.49 -0.11 0.00 -1.01 0.00 0.00 57.07 55.46 2wc0 s TYR 64 Cb -0.08 -0.25 0.09 0.00 -0.11 0.00 0.00 41.96 41.61 2wc0 s TYR 64 CO 0.02 -0.15 0.59 0.50 -1.11 0.00 0.00 175.55 175.40 2wc0 s ARG 65 N -1.42 0.55 0.11 -0.62 3.52 -0.67 -4.64 118.95 115.78 2wc0 s ARG 65 Ca -0.13 1.20 -0.09 0.00 -0.13 0.00 0.00 55.73 56.58 2wc0 s ARG 65 Cb -0.10 0.39 -0.06 0.00 -1.56 0.00 0.00 34.95 33.62 2wc0 s ARG 65 CO -0.00 -0.18 0.42 0.20 -0.81 0.00 0.00 175.30 174.92 2wc0 s GLY 66 N 2.17 2.31 0.07 8.12 0.00 -1.26 0.24 107.32 118.99 2wc0 s GLY 66 Ca -0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 2wc0 s GLY 66 CO -0.17 -0.22 0.15 1.08 0.00 0.00 0.00 173.10 173.94 2wc0 s LEU 67 N -2.19 1.60 -0.20 0.66 1.02 -0.44 0.12 118.68 119.24 2wc0 s LEU 67 Ca 0.37 -0.65 -0.03 0.00 0.02 0.00 0.00 54.13 53.84 2wc0 s LEU 67 Cb -0.13 0.87 0.06 0.00 0.02 0.00 0.00 46.19 47.01 2wc0 s LEU 67 CO 0.20 -0.67 0.03 -0.70 0.02 0.00 0.00 176.35 175.23 2wc0 s GLU 68 N -3.60 0.70 0.74 1.70 2.12 -1.26 -0.68 118.70 118.42 2wc0 s GLU 68 Ca 0.03 -0.46 -0.15 0.00 0.36 0.00 0.00 54.97 54.75 2wc0 s GLU 68 Cb 0.04 -2.14 0.04 0.00 0.26 0.00 0.00 34.13 32.34 2wc0 s GLU 68 CO -0.09 -0.64 1.24 -0.51 -0.54 0.00 0.00 175.26 174.71 2wc0 s LEU 69 N 1.84 3.33 0.28 2.70 1.43 -0.26 -0.92 118.68 127.06 2wc0 s LEU 69 Ca -0.01 2.46 -0.05 0.00 -1.03 0.00 0.00 54.13 55.50 2wc0 s LEU 69 Cb -0.17 -4.60 0.53 0.00 0.03 0.00 0.00 46.19 41.98 2wc0 s LEU 69 CO -0.08 -2.36 1.58 0.00 0.23 0.00 0.00 176.35 175.72 2wc0 h ALA 70 N -0.27 0.82 0.00 4.21 0.00 0.34 0.97 119.26 125.33 2wc0 h ALA 70 Ca -0.48 0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wc0 h ALA 70 Cb 1.31 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2wc0 h ALA 70 CO 0.49 -0.45 0.00 0.27 0.00 0.00 0.00 179.25 179.56 2wc0 n ASN 71 N -5.52 0.00 0.00 0.00 0.23 -1.26 -4.88 115.26 103.83 2wc0 n ASN 71 Ca 0.17 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 2wc0 n ASN 71 Cb 0.56 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 2wc0 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wc0 n GLY 72 N -0.20 2.93 3.68 4.83 0.00 0.33 -3.74 105.19 113.02 2wc0 n GLY 72 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 2wc0 n GLY 72 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wc0 n ILE 73 N -1.39 0.43 -3.16 -0.61 5.41 -1.13 -4.75 119.36 114.16 2wc0 n ILE 73 Ca 0.00 -0.08 -0.39 0.00 1.00 0.00 0.00 62.75 63.28 2wc0 n ILE 73 Cb 0.00 -1.86 -0.05 0.00 -0.71 0.00 0.00 39.64 37.02 2wc0 n ILE 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2wc0 s LYS 74 N 3.17 4.39 0.02 0.38 1.02 -1.06 -1.11 119.74 126.56 2wc0 s LYS 74 Ca 0.88 0.70 0.06 0.00 0.02 0.00 0.00 55.97 57.62 2wc0 s LYS 74 Cb -0.64 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.21 2wc0 s LYS 74 CO 0.46 0.11 -0.17 0.08 -0.92 0.00 0.00 175.35 174.91 2wc0 s VAL 75 N 0.70 1.37 -0.10 3.17 1.01 0.15 -0.53 120.40 126.17 2wc0 s VAL 75 Ca 0.33 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2wc0 s VAL 75 Cb -0.17 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2wc0 s VAL 75 CO 0.15 0.20 -0.21 -0.22 0.00 0.00 0.00 175.10 175.02 2wc0 s LEU 76 N -0.90 2.30 -0.03 3.92 0.20 -0.34 -1.33 118.68 122.50 2wc0 s LEU 76 Ca 0.05 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.43 2wc0 s LEU 76 Cb -0.08 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 2wc0 s LEU 76 CO 0.01 0.18 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.42 2wc0 s LEU 77 N 0.21 3.16 -0.16 -0.68 1.43 0.14 -2.07 118.68 120.70 2wc0 s LEU 77 Ca -0.13 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2wc0 s LEU 77 Cb -0.16 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.34 2wc0 s LEU 77 CO 0.07 0.32 -0.05 -0.63 0.23 0.00 0.00 176.35 176.29 2wc0 s ILE 78 N -0.90 1.02 -0.30 -0.59 1.01 -0.67 -1.67 121.20 119.10 2wc0 s ILE 78 Ca 0.15 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2wc0 s ILE 78 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2wc0 s ILE 78 CO 0.05 0.15 0.18 -0.55 0.00 0.00 0.00 174.94 174.76 2wc0 s SER 79 N 1.68 5.84 -0.38 3.58 0.15 0.10 -2.00 113.70 122.67 2wc0 s SER 79 Ca 0.01 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.47 2wc0 s SER 79 Cb -0.15 -2.08 0.11 0.00 -1.71 0.00 0.00 66.02 62.20 2wc0 s SER 79 CO -0.08 -0.11 0.15 -0.62 1.20 0.00 0.00 173.24 173.78 2wc0 s ASP 80 N 1.71 4.12 0.60 5.45 -1.08 0.69 -1.92 116.67 126.24 2wc0 s ASP 80 Ca 0.06 -2.22 0.29 0.00 -0.52 0.00 0.00 52.55 50.16 2wc0 s ASP 80 Cb -0.16 -1.18 1.70 0.00 -1.46 0.00 0.00 42.92 41.81 2wc0 s ASP 80 CO 0.09 -0.34 2.11 -0.65 0.52 0.00 0.00 175.17 176.91 2wc0 h PRO 81 N 7.37 0.00 -0.01 4.34 0.11 -1.77 -1.61 132.00 140.42 2wc0 h PRO 81 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wc0 h PRO 81 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wc0 h PRO 81 CO 0.51 0.00 -0.24 0.25 -0.21 0.00 0.00 178.00 178.31 2wc0 n THR 82 N -3.74 0.00 -1.75 -1.15 -2.24 -1.26 -4.81 114.28 99.32 2wc0 n THR 82 Ca 0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 2wc0 n THR 82 Cb 0.30 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.37 2wc0 n THR 82 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2wc0 n THR 83 N -0.00 1.23 0.06 4.28 5.66 -0.61 -4.92 114.28 119.97 2wc0 n THR 83 Ca 0.13 -0.31 -0.11 0.00 -3.05 0.00 0.00 64.05 60.71 2wc0 n THR 83 Cb 0.43 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.22 2wc0 n THR 83 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2wc0 h ASP 84 N 4.43 0.48 -3.91 1.09 3.32 -1.93 -3.43 116.42 116.46 2wc0 h ASP 84 Ca -0.48 -0.34 -0.57 0.00 0.02 0.00 0.00 57.03 55.67 2wc0 h ASP 84 Cb 1.23 -0.14 -0.31 0.00 0.22 0.00 0.00 39.33 40.32 2wc0 h ASP 84 CO 0.76 1.10 -0.84 -0.54 -1.72 0.00 0.00 179.24 178.01 2wc0 s LYS 85 N -3.47 1.79 0.70 3.56 1.02 -1.26 -2.24 119.74 119.85 2wc0 s LYS 85 Ca -0.05 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 2wc0 s LYS 85 Cb 0.10 -1.56 0.11 0.00 -0.52 0.00 0.00 37.83 35.96 2wc0 s LYS 85 CO 0.85 0.25 0.97 -1.12 -0.92 0.00 0.00 175.35 175.38 2wc0 s SER 86 N 0.03 4.47 -0.24 2.83 0.01 -0.03 -4.75 113.70 116.02 2wc0 s SER 86 Ca -0.04 -0.22 -0.26 0.00 1.31 0.00 0.00 55.95 56.74 2wc0 s SER 86 Cb -0.11 -0.24 0.11 0.00 0.21 0.00 0.00 66.02 65.99 2wc0 s SER 86 CO 0.02 -1.77 0.96 -0.55 0.41 0.00 0.00 173.24 172.32 2wc0 s SER 87 N -4.68 -0.48 0.04 2.44 0.15 -0.81 -1.97 113.70 108.40 2wc0 s SER 87 Ca 0.65 0.83 -0.00 0.00 0.70 0.00 0.00 55.95 58.12 2wc0 s SER 87 Cb -0.06 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2wc0 s SER 87 CO 0.44 -0.23 -0.03 0.00 1.20 0.00 0.00 173.24 174.61 2wc0 s ALA 88 N -0.13 0.35 0.01 5.45 0.00 -0.82 -0.43 121.76 126.19 2wc0 s ALA 88 Ca 0.01 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2wc0 s ALA 88 Cb -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 2wc0 s ALA 88 CO -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 175.76 175.42 2wc0 s ALA 89 N -2.85 0.27 -0.06 0.00 0.00 0.16 -1.59 121.76 117.69 2wc0 s ALA 89 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2wc0 s ALA 89 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2wc0 s ALA 89 CO -0.06 -0.02 -0.16 -1.17 0.00 0.00 0.00 175.76 174.35 2wc0 s LEU 90 N -0.75 1.83 -0.13 0.00 0.20 -0.48 -1.42 118.68 117.92 2wc0 s LEU 90 Ca -0.06 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.43 2wc0 s LEU 90 Cb -0.05 -0.98 0.01 0.00 -0.43 0.00 0.00 46.19 44.74 2wc0 s LEU 90 CO -0.00 0.10 -0.22 -0.62 -0.29 0.00 0.00 176.35 175.32 2wc0 s ASP 91 N 0.37 3.10 -0.19 3.68 2.15 -0.37 -0.91 116.67 124.50 2wc0 s ASP 91 Ca -0.11 -0.60 -0.11 0.00 0.43 0.00 0.00 52.55 52.16 2wc0 s ASP 91 Cb -0.15 -1.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.99 2wc0 s ASP 91 CO 0.04 0.09 0.19 -0.69 -0.17 0.00 0.00 175.17 174.63 2wc0 s VAL 92 N 0.75 5.37 -0.31 1.11 1.01 -0.41 -1.34 120.40 126.59 2wc0 s VAL 92 Ca -0.09 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2wc0 s VAL 92 Cb -0.16 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 2wc0 s VAL 92 CO -0.00 0.41 3.11 1.57 0.00 0.00 0.00 175.10 180.18 2wc0 n HIS 93 N 3.61 1.00 -4.20 5.22 -0.00 -0.27 -1.38 115.22 119.20 2wc0 n HIS 93 Ca -0.14 -1.80 -0.16 0.00 0.46 0.00 0.00 57.72 56.07 2wc0 n HIS 93 Cb 0.52 -1.49 -0.13 0.00 -0.12 0.00 0.00 29.99 28.76 2wc0 n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2wc0 s ILE 94 N -0.89 0.64 0.00 3.57 -1.09 -1.10 -4.76 121.20 117.57 2wc0 s ILE 94 Ca 0.62 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 2wc0 s ILE 94 Cb 0.35 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.63 2wc0 s ILE 94 CO -0.13 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 2wc0 n GLY 95 N 2.28 3.29 0.19 6.18 0.00 -1.23 -2.18 105.19 113.72 2wc0 n GLY 95 Ca -0.17 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.14 2wc0 n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wc0 h SER 96 N 0.00 0.00 0.04 1.61 4.64 -0.67 -1.38 113.55 117.80 2wc0 h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wc0 h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wc0 h SER 96 CO 0.00 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.85 2wc0 n LEU 97 N -2.63 0.00 -0.12 5.97 7.94 -0.77 -0.10 117.00 127.29 2wc0 n LEU 97 Ca 0.02 0.07 0.03 0.00 -1.11 0.00 0.00 56.01 55.02 2wc0 n LEU 97 Cb 0.31 -0.07 0.06 0.00 0.53 0.00 0.00 43.42 44.25 2wc0 n LEU 97 CO 0.25 -0.05 0.54 -1.20 -1.11 0.00 0.00 177.39 175.82 2wc0 n SER 98 N -1.07 2.25 -4.76 1.96 7.64 -0.52 -4.91 113.62 114.22 2wc0 n SER 98 Ca 0.07 -2.25 -0.39 0.00 1.01 0.00 0.00 58.87 57.30 2wc0 n SER 98 Cb 0.04 -0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.13 2wc0 n SER 98 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2wc0 s ASP 99 N -1.41 5.73 0.51 6.43 -0.00 0.85 -4.93 116.67 123.85 2wc0 s ASP 99 Ca 0.11 2.76 -0.23 0.00 -0.00 0.00 0.00 52.55 55.18 2wc0 s ASP 99 Cb 0.08 -2.64 -0.06 0.00 -0.00 0.00 0.00 42.92 40.30 2wc0 s ASP 99 CO 0.03 -1.26 1.37 -0.81 -0.00 0.00 0.00 175.17 174.50 2wc0 n PRO 100 N -0.51 1.89 0.31 8.23 -0.04 -1.26 -4.83 135.00 138.79 2wc0 n PRO 100 Ca 0.07 0.68 0.19 0.00 -0.04 0.00 0.00 63.50 64.41 2wc0 n PRO 100 Cb 0.44 -2.57 1.03 0.00 -0.04 0.00 0.00 33.50 32.35 2wc0 n PRO 100 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2wc0 h PRO 101 N 1.76 0.00 -0.16 0.54 0.11 -1.99 -1.06 132.00 131.19 2wc0 h PRO 101 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wc0 h PRO 101 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wc0 h PRO 101 CO 0.58 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.64 2wc0 n ASN 102 N -3.21 2.75 -3.42 -2.05 6.94 -1.26 -4.62 115.26 110.38 2wc0 n ASN 102 Ca -0.02 -2.42 -0.26 0.00 -0.02 0.00 0.00 54.58 51.85 2wc0 n ASN 102 Cb 0.20 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.26 2wc0 n ASN 102 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2wc0 n ILE 103 N -0.37 -0.30 -1.92 1.53 5.41 -0.40 -4.87 119.36 118.43 2wc0 n ILE 103 Ca 0.11 -3.97 -0.41 0.00 1.00 0.00 0.00 62.75 59.48 2wc0 n ILE 103 Cb 0.52 -1.86 -0.02 0.00 -0.71 0.00 0.00 39.64 37.57 2wc0 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wc0 s ALA 104 N -0.74 3.64 0.00 -1.39 0.00 -1.26 -2.49 121.76 119.52 2wc0 s ALA 104 Ca 0.33 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2wc0 s ALA 104 Cb 0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2wc0 s ALA 104 CO -0.16 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2wc0 n GLY 105 N 1.72 0.35 0.20 0.00 0.00 -1.24 -4.29 105.19 101.93 2wc0 n GLY 105 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2wc0 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wc0 h LEU 106 N 0.00 0.35 -0.53 0.99 5.85 -1.80 -0.59 115.31 119.58 2wc0 h LEU 106 Ca 0.00 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 2wc0 h LEU 106 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2wc0 h LEU 106 CO 0.00 0.25 -0.34 0.77 -0.34 0.00 0.00 178.44 178.78 2wc0 h SER 107 N 0.48 0.86 -0.86 1.25 4.64 -1.90 -0.28 113.55 117.73 2wc0 h SER 107 Ca 0.21 -0.37 0.17 0.00 -0.47 0.00 0.00 61.79 61.33 2wc0 h SER 107 Cb 0.11 -0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 61.85 2wc0 h SER 107 CO -0.14 1.12 0.42 -0.74 -0.87 0.00 0.00 176.83 176.61 2wc0 h HIS 108 N 0.68 0.72 -0.08 4.77 -0.00 -1.68 -1.74 115.15 117.82 2wc0 h HIS 108 Ca 0.07 0.04 -0.23 0.00 -0.00 0.00 0.00 60.37 60.24 2wc0 h HIS 108 Cb 0.89 -0.19 0.01 0.00 -0.00 0.00 0.00 27.41 28.13 2wc0 h HIS 108 CO 0.05 0.10 -0.87 0.35 -0.00 0.00 0.00 177.93 177.56 2wc0 h PHE 109 N 0.54 0.92 -0.58 5.26 3.57 -0.37 -1.92 116.94 124.35 2wc0 h PHE 109 Ca 0.50 -0.45 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2wc0 h PHE 109 Cb 0.80 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2wc0 h PHE 109 CO -0.11 1.27 0.33 1.25 -2.23 0.00 0.00 178.31 178.82 2wc0 h LEU 110 N 0.42 0.72 -0.66 0.59 6.46 -0.83 -0.10 115.31 121.92 2wc0 h LEU 110 Ca -0.07 -0.08 0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2wc0 h LEU 110 Cb 1.49 -0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 41.15 2wc0 h LEU 110 CO 0.17 0.60 0.17 -0.61 -0.62 0.00 0.00 178.44 178.15 2wc0 h GLN 111 N 0.79 0.29 -0.75 1.25 -0.00 -1.10 0.15 115.11 115.74 2wc0 h GLN 111 Ca 0.21 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.79 2wc0 h GLN 111 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.41 2wc0 h GLN 111 CO -0.03 0.19 0.27 0.45 0.00 0.00 0.00 178.83 179.71 2wc0 h HIS 112 N 0.30 1.17 -0.29 3.99 3.86 -0.79 -3.26 115.15 120.14 2wc0 h HIS 112 Ca 0.35 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.35 2wc0 h HIS 112 Cb 0.54 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2wc0 h HIS 112 CO -0.24 0.91 -0.29 0.52 0.86 0.00 0.00 177.93 179.69 2wc0 h MET 113 N 1.10 0.59 0.00 2.45 2.86 0.85 -2.92 114.93 119.85 2wc0 h MET 113 Ca 0.25 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wc0 h MET 113 Cb 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2wc0 h MET 113 CO -0.01 0.82 0.07 1.28 1.06 0.00 0.00 176.91 180.12 2wc0 n LEU 114 N -4.09 0.22 -0.16 1.22 4.77 0.34 -1.56 117.00 117.74 2wc0 n LEU 114 Ca -0.01 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2wc0 n LEU 114 Cb 0.45 -0.58 0.42 0.00 -2.33 0.00 0.00 43.42 41.39 2wc0 n LEU 114 CO 0.44 -0.63 0.68 0.49 -1.33 0.00 0.00 177.39 177.04 2wc0 n PHE 115 N -1.77 0.00 -0.92 -1.77 3.01 -1.10 -4.43 117.46 110.47 2wc0 n PHE 115 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.54 2wc0 n PHE 115 Cb 0.08 -0.18 0.20 0.00 -0.01 0.00 0.00 39.48 39.57 2wc0 n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wc0 n LEU 116 N -0.92 3.18 0.00 4.37 4.77 -0.60 -4.75 117.00 123.05 2wc0 n LEU 116 Ca 0.11 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 2wc0 n LEU 116 Cb 0.33 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wc0 n LEU 116 CO 0.27 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 2wc0 n GLY 117 N -0.78 4.45 3.47 -0.72 0.00 -1.25 -4.47 105.19 105.88 2wc0 n GLY 117 Ca 0.18 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 2wc0 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wc0 s THR 118 N -1.38 0.52 0.00 2.61 -4.23 -0.77 -0.22 115.64 112.17 2wc0 s THR 118 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2wc0 s THR 118 Cb 0.00 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2wc0 s THR 118 CO 0.00 0.00 0.93 1.17 -0.54 0.00 0.00 174.62 176.18 2wc0 n LYS 119 N -0.83 0.00 -0.18 3.99 3.00 0.58 -2.09 118.16 122.63 2wc0 n LYS 119 Ca -0.04 0.63 0.29 0.00 -0.00 0.00 0.00 58.31 59.20 2wc0 n LYS 119 Cb 0.65 -1.43 0.73 0.00 0.00 0.00 0.00 35.03 34.98 2wc0 n LYS 119 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2wc0 h LYS 120 N 0.00 0.00 -2.40 1.64 3.64 -1.97 -3.21 116.57 114.27 2wc0 h LYS 120 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2wc0 h LYS 120 Cb 0.00 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.43 2wc0 h LYS 120 CO 0.00 0.00 -0.90 0.66 -2.27 0.00 0.00 179.45 176.94 2wc0 n TYR 121 N -4.18 0.40 0.30 1.91 4.02 -1.13 -4.96 117.16 113.52 2wc0 n TYR 121 Ca 0.19 -3.63 0.17 0.00 -0.01 0.00 0.00 57.90 54.62 2wc0 n TYR 121 Cb 1.00 -0.12 0.74 0.00 -0.02 0.00 0.00 39.34 40.94 2wc0 n TYR 121 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2wc0 h PRO 122 N 5.08 0.00 -6.25 -0.72 0.13 -1.42 -2.04 132.00 126.78 2wc0 h PRO 122 Ca 0.20 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.77 2wc0 h PRO 122 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2wc0 h PRO 122 CO 0.50 0.00 1.23 0.21 -0.23 0.00 0.00 178.00 179.71 2wc0 s LYS 123 N -3.68 3.89 0.37 0.86 2.20 -1.26 -4.68 119.74 117.44 2wc0 s LYS 123 Ca 0.01 2.23 0.23 0.00 -0.36 0.00 0.00 55.97 58.07 2wc0 s LYS 123 Cb 0.10 -4.14 1.31 0.00 -1.51 0.00 0.00 37.83 33.59 2wc0 s LYS 123 CO 0.48 -1.22 1.49 -1.91 -0.36 0.00 0.00 175.35 173.83 2wc0 n GLU 124 N 7.71 -0.05 -0.12 4.03 2.13 -1.26 -0.98 120.64 132.10 2wc0 n GLU 124 Ca 0.21 1.28 0.08 0.00 0.66 0.00 0.00 57.16 59.39 2wc0 n GLU 124 Cb 0.43 -2.35 0.11 0.00 0.27 0.00 0.00 31.44 29.90 2wc0 n GLU 124 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2wc0 n ASN 125 N -5.00 2.00 -0.24 4.31 2.04 -1.26 -3.96 115.26 113.15 2wc0 n ASN 125 Ca 0.37 -2.87 -0.01 0.00 -0.44 0.00 0.00 54.58 51.63 2wc0 n ASN 125 Cb 1.29 -0.37 0.10 0.00 -2.53 0.00 0.00 39.78 38.27 2wc0 n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2wc0 h GLU 126 N 0.00 0.71 0.63 -3.83 4.57 -1.40 -0.56 114.58 114.70 2wc0 h GLU 126 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2wc0 h GLU 126 Cb 1.02 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2wc0 h GLU 126 CO 0.00 0.47 -0.50 -0.92 -1.18 0.00 0.00 179.01 176.87 2wc0 h TYR 127 N 0.73 -1.37 -0.87 0.92 5.03 -1.86 -0.86 116.97 118.69 2wc0 h TYR 127 Ca 0.31 0.00 0.18 0.00 2.58 0.00 0.00 58.73 61.79 2wc0 h TYR 127 Cb 0.18 0.52 -0.11 0.00 1.55 0.00 0.00 36.73 38.87 2wc0 h TYR 127 CO -0.07 -0.70 0.42 1.03 -1.32 0.00 0.00 178.16 177.51 2wc0 h SER 128 N -1.10 0.44 0.35 -2.11 0.87 -1.80 -2.52 113.55 107.68 2wc0 h SER 128 Ca -0.08 0.12 -0.32 0.00 -1.23 0.00 0.00 61.79 60.27 2wc0 h SER 128 Cb 0.92 0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.97 2wc0 h SER 128 CO 0.01 0.13 -1.43 -0.61 -0.53 0.00 0.00 176.83 174.40 2wc0 h GLN 129 N 0.53 0.48 -0.27 2.24 4.15 -0.91 -2.31 115.11 119.02 2wc0 h GLN 129 Ca 0.50 -0.83 0.06 0.00 0.77 0.00 0.00 58.65 59.15 2wc0 h GLN 129 Cb 0.82 0.31 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 2wc0 h GLN 129 CO -0.43 1.40 -0.10 0.35 -1.93 0.00 0.00 178.83 178.11 2wc0 h PHE 130 N 0.13 -0.23 -0.45 3.99 3.57 -1.10 0.12 116.94 122.97 2wc0 h PHE 130 Ca -0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 2wc0 h PHE 130 Cb 2.13 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.99 2wc0 h PHE 130 CO 0.11 -0.16 0.22 -0.07 -2.23 0.00 0.00 178.31 176.18 2wc0 h LEU 131 N -0.05 0.59 -0.69 0.59 4.07 -1.49 -2.60 115.31 115.72 2wc0 h LEU 131 Ca 0.14 -0.13 0.14 0.00 0.08 0.00 0.00 57.88 58.11 2wc0 h LEU 131 Cb 0.26 -0.15 -0.10 0.00 1.08 0.00 0.00 40.66 41.75 2wc0 h LEU 131 CO -0.31 0.55 0.18 -1.28 -1.08 0.00 0.00 178.44 176.50 2wc0 h SER 132 N 0.59 0.05 -0.02 -0.43 0.87 -0.96 0.63 113.55 114.29 2wc0 h SER 132 Ca 0.16 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2wc0 h SER 132 Cb 0.12 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2wc0 h SER 132 CO -0.02 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.66 2wc0 n GLU 133 N -5.12 1.12 -0.41 2.24 1.02 0.39 -3.24 120.64 116.63 2wc0 n GLU 133 Ca 0.12 -0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.11 2wc0 n GLU 133 Cb 0.40 -1.39 0.03 0.00 -0.02 0.00 0.00 31.44 30.46 2wc0 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wc0 n HIS 134 N -0.69 0.00 -2.06 -0.32 8.25 -0.71 -4.63 115.22 115.06 2wc0 n HIS 134 Ca 0.18 -0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2wc0 n HIS 134 Cb 0.13 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 2wc0 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wc0 n ALA 135 N -0.27 -0.32 -2.01 -1.41 0.00 -0.44 -1.19 120.51 114.86 2wc0 n ALA 135 Ca 0.03 0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 2wc0 n ALA 135 Cb 0.68 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.73 2wc0 n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wc0 s GLY 136 N -2.54 1.84 0.24 0.00 0.00 0.21 -4.44 107.32 102.62 2wc0 s GLY 136 Ca 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 44.72 42.82 2wc0 s GLY 136 CO 0.00 -1.48 0.38 -1.35 0.00 0.00 0.00 173.10 170.66 2wc0 s SER 137 N -4.51 0.02 0.05 1.64 1.04 -0.88 -4.08 113.70 106.97 2wc0 s SER 137 Ca 0.59 -1.08 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 2wc0 s SER 137 Cb -0.08 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.63 2wc0 s SER 137 CO 0.37 -1.07 0.56 -0.55 0.98 0.00 0.00 173.24 173.53 2wc0 s SER 138 N -3.07 -0.50 0.05 7.02 0.15 -1.26 -1.54 113.70 114.55 2wc0 s SER 138 Ca 0.27 0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.88 2wc0 s SER 138 Cb 0.01 0.52 0.10 0.00 -1.71 0.00 0.00 66.02 64.94 2wc0 s SER 138 CO 0.10 -0.74 1.12 0.21 1.20 0.00 0.00 173.24 175.13 2wc0 s ASN 139 N -1.97 -0.13 0.05 5.45 2.47 -0.26 -5.00 114.94 115.55 2wc0 s ASN 139 Ca -0.05 -0.23 -0.13 0.00 0.42 0.00 0.00 52.86 52.86 2wc0 s ASN 139 Cb -0.01 0.31 0.02 0.00 -1.45 0.00 0.00 41.25 40.13 2wc0 s ASN 139 CO -0.02 -0.57 0.29 0.00 -3.72 0.00 0.00 177.10 173.08 2wc0 s ALA 140 N -2.84 -0.63 0.02 1.71 0.00 -1.26 -0.89 121.76 117.88 2wc0 s ALA 140 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2wc0 s ALA 140 Cb 0.01 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 2wc0 s ALA 140 CO -0.02 -0.42 -0.04 -0.59 0.00 0.00 0.00 175.76 174.70 2wc0 s PHE 141 N -2.64 0.32 -0.15 0.00 -0.71 -0.20 -4.99 117.98 109.62 2wc0 s PHE 141 Ca -0.04 -0.32 -0.05 0.00 -1.04 0.00 0.00 56.93 55.47 2wc0 s PHE 141 Cb -0.01 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 2wc0 s PHE 141 CO -0.04 -0.09 0.03 0.99 -1.34 0.00 0.00 175.22 174.77 2wc0 s THR 142 N -0.86 4.50 0.02 -4.49 2.01 -1.26 -1.61 115.64 113.95 2wc0 s THR 142 Ca -0.08 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2wc0 s THR 142 Cb -0.06 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 2wc0 s THR 142 CO -0.00 0.51 0.00 -0.24 -0.69 0.00 0.00 174.62 174.20 2wc0 n SER 143 N 3.17 1.54 -0.11 3.53 2.88 0.10 -4.97 113.62 119.76 2wc0 n SER 143 Ca -0.17 -1.08 0.02 0.00 -1.33 0.00 0.00 58.87 56.30 2wc0 n SER 143 Cb 0.53 0.03 0.32 0.00 -0.75 0.00 0.00 64.21 64.33 2wc0 n SER 143 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2wc0 h GLY 144 N 0.05 0.83 0.00 0.46 0.00 -1.95 0.48 103.07 102.94 2wc0 h GLY 144 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2wc0 h GLY 144 CO 0.02 0.32 0.00 1.18 0.00 0.00 0.00 176.54 178.06 2wc0 n GLU 145 N -4.43 1.36 -3.69 4.80 1.02 -1.26 -1.84 120.64 116.60 2wc0 n GLU 145 Ca 0.05 -0.95 -0.15 0.00 -0.02 0.00 0.00 57.16 56.10 2wc0 n GLU 145 Cb 0.07 -0.76 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 2wc0 n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wc0 s HIS 146 N -0.47 -0.37 -0.09 -0.32 3.76 -1.11 -2.72 115.29 113.98 2wc0 s HIS 146 Ca 0.00 0.68 -0.00 0.00 -0.15 0.00 0.00 55.06 55.59 2wc0 s HIS 146 Cb 0.00 0.19 0.02 0.00 1.11 0.00 0.00 32.58 33.91 2wc0 s HIS 146 CO 0.00 -0.42 -0.05 0.99 -0.85 0.00 0.00 174.74 174.41 2wc0 s THR 147 N -0.98 0.79 -0.16 1.30 2.01 -0.48 -0.72 115.64 117.39 2wc0 s THR 147 Ca -0.10 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2wc0 s THR 147 Cb -0.03 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.66 2wc0 s THR 147 CO 0.05 0.32 -0.19 0.21 -0.69 0.00 0.00 174.62 174.32 2wc0 s ASN 148 N 1.58 2.98 -0.04 3.53 3.84 -0.63 -1.28 114.94 124.92 2wc0 s ASN 148 Ca 0.01 -0.59 0.05 0.00 0.21 0.00 0.00 52.86 52.54 2wc0 s ASN 148 Cb -0.13 -1.38 -0.02 0.00 -0.55 0.00 0.00 41.25 39.16 2wc0 s ASN 148 CO -0.05 0.02 -0.17 -0.31 -2.79 0.00 0.00 177.10 173.79 2wc0 s TYR 149 N 1.15 2.61 -0.07 0.43 1.51 -0.09 -1.03 117.35 121.87 2wc0 s TYR 149 Ca 0.00 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 2wc0 s TYR 149 Cb -0.14 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.14 2wc0 s TYR 149 CO -0.08 0.14 0.31 1.52 -1.11 0.00 0.00 175.55 176.33 2wc0 s TYR 150 N -0.71 -0.27 0.07 2.71 -0.85 -0.06 -1.38 117.35 116.86 2wc0 s TYR 150 Ca 0.11 0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 57.23 2wc0 s TYR 150 Cb -0.10 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 2wc0 s TYR 150 CO 0.00 -0.27 -0.01 -0.59 -1.52 0.00 0.00 175.55 173.17 2wc0 s PHE 151 N -0.53 0.63 0.31 -3.49 -0.12 -0.62 -1.10 117.98 113.06 2wc0 s PHE 151 Ca -0.06 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 55.75 2wc0 s PHE 151 Cb -0.04 -0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 41.87 2wc0 s PHE 151 CO 0.02 -0.41 0.03 0.16 -0.05 0.00 0.00 175.22 174.97 2wc0 s ASP 152 N -2.96 2.47 -0.13 1.98 3.84 -0.59 -1.95 116.67 119.34 2wc0 s ASP 152 Ca 0.12 -1.33 -0.30 0.00 -0.00 0.00 0.00 52.55 51.03 2wc0 s ASP 152 Cb 0.08 -0.11 0.13 0.00 -1.38 0.00 0.00 42.92 41.64 2wc0 s ASP 152 CO -0.07 -0.55 1.02 0.54 -0.00 0.00 0.00 175.17 176.12 2wc0 s VAL 153 N -3.23 0.00 0.33 2.11 0.11 -0.83 -2.08 120.40 116.81 2wc0 s VAL 153 Ca 0.35 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.13 2wc0 s VAL 153 Cb 0.08 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.80 2wc0 s VAL 153 CO 0.14 0.00 0.99 -1.54 -3.33 0.00 0.00 175.10 171.37 2wc0 n SER 154 N 0.29 1.21 0.21 3.54 3.41 -0.33 -0.85 113.62 121.10 2wc0 n SER 154 Ca -0.07 1.13 0.15 0.00 -0.26 0.00 0.00 58.87 59.82 2wc0 n SER 154 Cb 0.59 -1.30 0.62 0.00 -0.26 0.00 0.00 64.21 63.86 2wc0 n SER 154 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2wc0 h HIS 155 N 1.84 0.00 -0.00 7.33 2.07 -1.72 -0.25 115.15 124.41 2wc0 h HIS 155 Ca -0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 2wc0 h HIS 155 Cb 1.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.32 2wc0 h HIS 155 CO 0.46 0.00 -0.00 0.39 -3.07 0.00 0.00 177.93 175.71 2wc0 n GLU 156 N -3.08 0.93 -0.18 5.12 1.02 -1.26 -3.97 120.64 119.22 2wc0 n GLU 156 Ca 0.03 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2wc0 n GLU 156 Cb 0.67 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.62 2wc0 n GLU 156 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wc0 n HIS 157 N -1.00 0.00 -0.30 -0.32 8.25 -0.11 -4.82 115.22 116.93 2wc0 n HIS 157 Ca 0.22 -0.30 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 2wc0 n HIS 157 Cb 0.14 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 2wc0 n HIS 157 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wc0 n LEU 158 N -0.40 -0.75 -0.27 2.41 0.00 -1.25 -0.84 117.00 115.90 2wc0 n LEU 158 Ca 0.03 1.50 -0.04 0.00 0.00 0.00 0.00 56.01 57.51 2wc0 n LEU 158 Cb 0.55 -0.29 0.07 0.00 0.00 0.00 0.00 43.42 43.75 2wc0 n LEU 158 CO 0.00 -1.15 1.18 -0.08 0.00 0.00 0.00 177.39 177.34 2wc0 h GLU 159 N 0.00 0.95 -0.62 1.96 4.81 -1.91 0.13 114.58 119.90 2wc0 h GLU 159 Ca 0.11 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2wc0 h GLU 159 Cb 0.29 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 2wc0 h GLU 159 CO -0.66 0.63 0.27 0.78 -0.73 0.00 0.00 179.01 179.29 2wc0 h GLY 160 N 0.98 0.89 1.49 1.92 0.00 -1.76 -0.77 103.07 105.82 2wc0 h GLY 160 Ca 0.28 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 47.21 2wc0 h GLY 160 CO -0.08 0.02 -1.02 0.00 0.00 0.00 0.00 176.54 175.47 2wc0 h ALA 161 N 1.40 0.27 -0.13 3.60 0.00 0.21 -3.01 119.26 121.60 2wc0 h ALA 161 Ca 0.31 -0.73 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 2wc0 h ALA 161 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wc0 h ALA 161 CO -0.28 0.81 -0.64 1.25 0.00 0.00 0.00 179.25 180.39 2wc0 h LEU 162 N 0.24 0.57 -0.10 0.00 5.85 -0.39 -0.42 115.31 121.05 2wc0 h LEU 162 Ca -0.10 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2wc0 h LEU 162 Cb 1.67 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2wc0 h LEU 162 CO 0.18 1.06 -0.03 -0.78 -0.34 0.00 0.00 178.44 178.53 2wc0 h ASP 163 N 0.36 0.19 -0.84 1.25 1.82 -1.16 -0.03 116.42 118.02 2wc0 h ASP 163 Ca -0.01 -0.37 0.20 0.00 -0.39 0.00 0.00 57.03 56.45 2wc0 h ASP 163 Cb 1.19 -0.05 -0.12 0.00 0.68 0.00 0.00 39.33 41.03 2wc0 h ASP 163 CO 0.11 0.52 0.30 0.03 -1.61 0.00 0.00 179.24 178.60 2wc0 h ARG 164 N -0.14 0.33 0.09 0.28 -0.00 -1.28 -2.50 114.38 111.16 2wc0 h ARG 164 Ca 0.02 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2wc0 h ARG 164 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2wc0 h ARG 164 CO 0.01 0.22 -0.04 0.35 0.00 0.00 0.00 179.97 180.51 2wc0 h PHE 165 N 0.34 -0.11 -0.85 3.04 3.04 -0.51 -3.11 116.94 118.79 2wc0 h PHE 165 Ca 0.51 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.63 2wc0 h PHE 165 Cb 0.93 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 39.42 2wc0 h PHE 165 CO -0.20 0.05 0.56 0.00 -2.02 0.00 0.00 178.31 176.71 2wc0 h ALA 166 N 0.65 2.16 -0.08 2.41 0.00 -0.56 -1.12 119.26 122.71 2wc0 h ALA 166 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wc0 h ALA 166 Cb 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wc0 h ALA 166 CO 0.02 -0.41 0.06 1.96 0.00 0.00 0.00 179.25 180.88 2wc0 h GLN 167 N 0.42 0.00 -0.69 0.00 1.08 -1.45 0.15 115.11 114.62 2wc0 h GLN 167 Ca 0.43 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.83 2wc0 h GLN 167 Cb 1.03 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 2wc0 h GLN 167 CO -0.15 0.00 0.69 0.74 -0.95 0.00 0.00 178.83 179.15 2wc0 h PHE 168 N 0.00 0.00 -0.13 2.96 -1.00 -1.30 0.14 116.94 117.61 2wc0 h PHE 168 Ca 0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 2wc0 h PHE 168 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2wc0 h PHE 168 CO 0.00 0.00 -0.07 1.19 -1.61 0.00 0.00 178.31 177.82 2wc0 n PHE 169 N -3.71 0.43 0.00 -0.55 3.72 0.03 -4.44 117.46 112.94 2wc0 n PHE 169 Ca 0.14 -1.10 0.00 0.00 -0.05 0.00 0.00 57.45 56.45 2wc0 n PHE 169 Cb 0.93 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 2wc0 n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wc0 n LEU 170 N -1.07 1.24 -2.74 4.37 4.77 0.41 -4.82 117.00 119.17 2wc0 n LEU 170 Ca 0.20 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2wc0 n LEU 170 Cb 0.78 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.94 2wc0 n LEU 170 CO 0.07 0.16 0.29 -1.54 -1.33 0.00 0.00 177.39 175.04 2wc0 n SER 171 N -2.57 -2.57 -4.70 -1.43 3.41 -0.67 -5.06 113.62 100.04 2wc0 n SER 171 Ca 0.00 -3.38 -0.41 0.00 -0.26 0.00 0.00 58.87 54.81 2wc0 n SER 171 Cb 0.39 1.82 0.01 0.00 -0.26 0.00 0.00 64.21 66.17 2wc0 n SER 171 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wc0 n PRO 172 N 1.07 1.98 0.14 4.33 -0.04 -1.25 -0.31 135.00 140.92 2wc0 n PRO 172 Ca 0.07 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2wc0 n PRO 172 Cb 0.67 -2.35 0.13 0.00 -0.04 0.00 0.00 33.50 31.91 2wc0 n PRO 172 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wc0 h LEU 173 N 2.23 0.00 -2.50 1.53 3.38 -0.88 -3.44 115.31 115.63 2wc0 h LEU 173 Ca -0.47 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.16 2wc0 h LEU 173 Cb 1.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 2wc0 h LEU 173 CO 0.61 0.61 -0.54 0.49 0.09 0.00 0.00 178.44 179.69 2wc0 n PHE 174 N -3.53 -0.71 -1.34 1.13 3.01 -1.26 -4.82 117.46 109.93 2wc0 n PHE 174 Ca -0.00 0.25 -0.52 0.00 1.01 0.00 0.00 57.45 58.19 2wc0 n PHE 174 Cb 0.67 -1.54 -0.07 0.00 -0.01 0.00 0.00 39.48 38.53 2wc0 n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wc0 n ASP 175 N -1.28 0.32 -0.33 4.37 2.03 -1.26 -4.82 116.55 115.58 2wc0 n ASP 175 Ca -0.15 0.99 0.07 0.00 0.52 0.00 0.00 54.79 56.22 2wc0 n ASP 175 Cb 0.37 -0.77 0.23 0.00 -0.72 0.00 0.00 41.12 40.23 2wc0 n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2wc0 h GLU 176 N 3.09 0.80 0.00 -0.67 4.57 -2.00 -0.67 114.58 119.70 2wc0 h GLU 176 Ca -0.41 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 57.48 2wc0 h GLU 176 Cb 1.20 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 2wc0 h GLU 176 CO 0.64 0.53 -1.31 1.03 -1.18 0.00 0.00 179.01 178.73 2wc0 h SER 177 N 0.83 0.00 0.33 1.04 0.87 -2.00 -2.70 113.55 111.91 2wc0 h SER 177 Ca 0.48 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.98 2wc0 h SER 177 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2wc0 h SER 177 CO -0.30 0.96 -0.25 0.00 -0.53 0.00 0.00 176.83 176.71 2wc0 h ALA 178 N 1.04 1.45 -0.13 6.23 0.00 -1.70 -2.71 119.26 123.46 2wc0 h ALA 178 Ca -0.14 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 2wc0 h ALA 178 Cb 1.85 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.61 2wc0 h ALA 178 CO 0.10 0.31 -0.74 -0.22 0.00 0.00 0.00 179.25 178.70 2wc0 h LYS 179 N 0.00 0.73 0.00 0.00 3.64 -0.91 -0.29 116.57 119.74 2wc0 h LYS 179 Ca -0.00 -0.61 -0.03 0.00 -1.27 0.00 0.00 60.65 58.73 2wc0 h LYS 179 Cb 0.48 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2wc0 h LYS 179 CO 0.03 1.22 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.83 2wc0 h ASP 180 N 0.43 0.00 0.00 4.20 3.32 -1.37 -2.47 116.42 120.53 2wc0 h ASP 180 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2wc0 h ASP 180 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2wc0 h ASP 180 CO 0.15 0.16 -0.06 0.03 -1.72 0.00 0.00 179.24 177.80 2wc0 h ARG 181 N 0.00 0.00 0.00 3.56 3.08 -1.31 -3.38 114.38 116.32 2wc0 h ARG 181 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wc0 h ARG 181 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2wc0 h ARG 181 CO 0.02 0.00 0.20 1.49 -1.07 0.00 0.00 179.97 180.61 2wc0 h GLU 182 N -0.97 0.00 0.00 0.04 4.57 -1.06 -0.48 114.58 116.68 2wc0 h GLU 182 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2wc0 h GLU 182 Cb 0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2wc0 h GLU 182 CO 0.00 0.00 -0.12 -0.24 -1.18 0.00 0.00 179.01 177.47 2wc0 h VAL 183 N 0.00 0.86 -0.09 0.32 3.04 -1.62 -1.93 116.25 116.83 2wc0 h VAL 183 Ca 0.00 -0.46 -0.12 0.00 -1.01 0.00 0.00 66.70 65.11 2wc0 h VAL 183 Cb 0.39 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 2wc0 h VAL 183 CO 0.00 0.12 -0.47 0.78 -1.01 0.00 0.00 177.57 177.00 2wc0 h ASN 184 N 0.00 0.23 -0.71 3.17 4.21 -1.30 -0.87 115.58 120.30 2wc0 h ASN 184 Ca -0.00 -0.10 -0.07 0.00 1.21 0.00 0.00 56.30 57.33 2wc0 h ASN 184 Cb 0.26 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 2wc0 h ASN 184 CO 0.02 0.67 0.18 0.00 -1.29 0.00 0.00 177.43 177.00 2wc0 h ALA 185 N 1.34 0.95 -0.02 -0.83 0.00 -1.48 0.35 119.26 119.58 2wc0 h ALA 185 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2wc0 h ALA 185 Cb 0.89 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wc0 h ALA 185 CO 0.07 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.22 2wc0 h VAL 186 N 1.08 1.47 -0.75 0.00 2.07 -1.34 -0.51 116.25 118.28 2wc0 h VAL 186 Ca 0.22 -1.46 0.17 0.00 0.82 0.00 0.00 66.70 66.46 2wc0 h VAL 186 Cb 0.37 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.42 2wc0 h VAL 186 CO 0.00 0.39 0.08 -0.78 0.02 0.00 0.00 177.57 177.29 2wc0 h ASP 187 N -0.50 -0.19 -0.45 0.57 3.58 -0.93 0.25 116.42 118.74 2wc0 h ASP 187 Ca -0.00 0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2wc0 h ASP 187 Cb 0.66 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2wc0 h ASP 187 CO 0.01 -0.13 0.15 -1.28 -2.88 0.00 0.00 179.24 175.11 2wc0 h SER 188 N 0.16 0.71 0.48 2.28 0.87 -0.07 0.23 113.55 118.20 2wc0 h SER 188 Ca 0.42 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2wc0 h SER 188 Cb 0.75 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2wc0 h SER 188 CO -0.61 0.68 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.07 2wc0 h GLU 189 N 0.75 -0.62 -0.72 2.24 4.81 0.11 -0.50 114.58 120.64 2wc0 h GLU 189 Ca 0.17 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 2wc0 h GLU 189 Cb 0.24 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 2wc0 h GLU 189 CO -0.01 -0.35 0.44 1.25 -0.73 0.00 0.00 179.01 179.61 2wc0 h HIS 190 N -0.78 0.81 -0.25 0.92 2.76 -0.78 -2.67 115.15 115.16 2wc0 h HIS 190 Ca -0.07 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.19 2wc0 h HIS 190 Cb 0.55 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 2wc0 h HIS 190 CO -0.01 0.43 -0.15 1.49 -1.30 0.00 0.00 177.93 178.39 2wc0 h GLU 191 N 0.83 -0.12 0.00 5.26 4.57 0.20 -0.46 114.58 124.86 2wc0 h GLU 191 Ca 0.31 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 2wc0 h GLU 191 Cb 0.10 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2wc0 h GLU 191 CO -0.15 -0.08 0.00 0.36 -1.18 0.00 0.00 179.01 177.97 2wc0 n LYS 192 N -5.31 0.08 -0.04 1.92 -0.00 -0.27 -2.27 118.16 112.28 2wc0 n LYS 192 Ca -0.01 0.51 0.02 0.00 -0.00 0.00 0.00 58.31 58.84 2wc0 n LYS 192 Cb 0.23 -1.73 -0.15 0.00 -0.00 0.00 0.00 35.03 33.37 2wc0 n LYS 192 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wc0 n ASN 193 N -1.90 0.12 0.09 -5.58 3.02 -0.24 -4.57 115.26 106.20 2wc0 n ASN 193 Ca 0.00 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 2wc0 n ASN 193 Cb 0.07 1.38 -0.05 0.00 -0.61 0.00 0.00 39.78 40.56 2wc0 n ASN 193 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2wc0 h VAL 194 N 0.00 0.34 -0.27 2.41 2.07 -0.97 -0.88 116.25 118.95 2wc0 h VAL 194 Ca -0.23 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2wc0 h VAL 194 Cb 1.53 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2wc0 h VAL 194 CO 0.02 0.00 0.10 0.23 0.02 0.00 0.00 177.57 177.94 2wc0 n MET 195 N -5.41 2.01 -3.69 1.57 2.81 -1.26 -4.75 117.12 108.40 2wc0 n MET 195 Ca -0.06 -1.11 -0.35 0.00 -1.81 0.00 0.00 57.70 54.36 2wc0 n MET 195 Cb 0.32 -1.63 -0.08 0.00 -0.71 0.00 0.00 33.22 31.12 2wc0 n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2wc0 s ASN 196 N -0.09 6.25 0.50 7.83 3.04 -0.34 -4.90 114.94 127.23 2wc0 s ASN 196 Ca 0.20 0.28 0.25 0.00 0.04 0.00 0.00 52.86 53.63 2wc0 s ASN 196 Cb 0.16 -2.11 1.30 0.00 -1.54 0.00 0.00 41.25 39.07 2wc0 s ASN 196 CO 0.05 0.16 2.03 0.44 -3.04 0.00 0.00 177.10 176.74 2wc0 h ASP 197 N 6.70 0.00 0.07 -4.21 3.45 -1.88 -2.36 116.42 118.19 2wc0 h ASP 197 Ca -0.41 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 56.79 2wc0 h ASP 197 Cb 1.15 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.94 2wc0 h ASP 197 CO 0.76 0.15 -1.05 0.00 -1.57 0.00 0.00 179.24 177.53 2wc0 h ALA 198 N 1.85 0.16 -0.51 3.45 0.00 -1.94 -2.65 119.26 119.61 2wc0 h ALA 198 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 2wc0 h ALA 198 Cb 0.39 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wc0 h ALA 198 CO 0.02 0.71 0.23 -1.49 0.00 0.00 0.00 179.25 178.72 2wc0 h TRP 199 N 0.36 0.76 -0.33 0.00 4.06 -1.76 0.14 115.95 119.17 2wc0 h TRP 199 Ca -0.13 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 60.83 2wc0 h TRP 199 Cb 1.70 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 29.58 2wc0 h TRP 199 CO 0.10 0.61 0.00 0.00 -3.56 0.00 0.00 178.44 175.59 2wc0 h ARG 200 N 0.68 0.10 -0.69 0.49 3.08 -1.48 0.38 114.38 116.93 2wc0 h ARG 200 Ca 0.17 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2wc0 h ARG 200 Cb 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2wc0 h ARG 200 CO -0.02 0.06 0.46 -0.07 -1.07 0.00 0.00 179.97 179.34 2wc0 h LEU 201 N 0.10 0.79 0.45 3.04 4.07 -1.18 0.22 115.31 122.81 2wc0 h LEU 201 Ca 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2wc0 h LEU 201 Cb 0.21 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2wc0 h LEU 201 CO -0.26 0.57 -0.22 0.15 -1.08 0.00 0.00 178.44 177.61 2wc0 h PHE 202 N 0.94 -0.56 0.00 1.13 3.04 -0.51 -0.55 116.94 120.43 2wc0 h PHE 202 Ca 0.26 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.11 2wc0 h PHE 202 Cb -0.10 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 2wc0 h PHE 202 CO -0.03 -0.30 -0.37 0.37 -2.02 0.00 0.00 178.31 175.97 2wc0 h GLN 203 N -0.71 0.00 0.00 1.11 5.75 -0.67 -2.34 115.11 118.25 2wc0 h GLN 203 Ca -0.06 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 2wc0 h GLN 203 Cb 0.52 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 2wc0 h GLN 203 CO 0.10 0.37 -0.72 1.25 -2.65 0.00 0.00 178.83 177.19 2wc0 h LEU 204 N 0.00 0.00 0.09 -2.39 5.85 -0.32 -1.37 115.31 117.16 2wc0 h LEU 204 Ca -0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2wc0 h LEU 204 Cb 0.87 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2wc0 h LEU 204 CO 0.05 0.72 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.55 2wc0 h GLU 205 N 0.00 -0.40 -0.88 1.25 4.81 -0.54 -2.55 114.58 116.27 2wc0 h GLU 205 Ca -0.01 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2wc0 h GLU 205 Cb 1.29 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.70 2wc0 h GLU 205 CO 0.09 -0.27 0.56 0.87 -0.73 0.00 0.00 179.01 179.53 2wc0 h LYS 206 N -0.42 1.00 0.00 1.92 1.57 -1.45 -1.20 116.57 117.99 2wc0 h LYS 206 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wc0 h LYS 206 Cb 0.45 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wc0 h LYS 206 CO -0.15 0.66 0.06 0.00 -0.57 0.00 0.00 179.45 179.45 2wc0 h ALA 207 N 1.40 1.05 -0.24 3.86 0.00 -0.96 -3.13 119.26 121.24 2wc0 h ALA 207 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wc0 h ALA 207 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wc0 h ALA 207 CO -0.16 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.29 2wc0 n THR 208 N -2.73 1.67 -2.56 0.00 -2.24 -0.46 -4.94 114.28 103.01 2wc0 n THR 208 Ca -0.02 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 2wc0 n THR 208 Cb 0.11 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2wc0 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wc0 n GLY 209 N -0.24 3.82 3.67 3.38 0.00 -1.18 -4.93 105.19 109.70 2wc0 n GLY 209 Ca 0.15 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2wc0 n GLY 209 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wc0 s ASN 210 N -0.42 6.48 0.44 1.61 3.84 0.05 -4.85 114.94 122.09 2wc0 s ASN 210 Ca 0.00 2.63 0.15 0.00 0.21 0.00 0.00 52.86 55.85 2wc0 s ASN 210 Cb 0.00 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.14 2wc0 s ASN 210 CO 0.00 -1.02 1.96 -0.65 -2.79 0.00 0.00 177.10 174.60 2wc0 h PRO 211 N 10.04 0.00 0.00 0.43 0.11 -1.92 -1.99 132.00 138.67 2wc0 h PRO 211 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2wc0 h PRO 211 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wc0 h PRO 211 CO 0.94 0.22 -0.05 0.87 -0.21 0.00 0.00 178.00 179.77 2wc0 h LYS 212 N 0.00 0.00 -6.69 1.05 1.79 -1.99 -3.45 116.57 107.28 2wc0 h LYS 212 Ca -0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.96 2wc0 h LYS 212 Cb 0.41 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2wc0 h LYS 212 CO 0.03 0.05 0.38 -1.58 -1.08 0.00 0.00 179.45 177.26 2wc0 s HIS 213 N -4.55 3.84 -1.00 -1.35 2.46 -0.75 -4.92 115.29 109.03 2wc0 s HIS 213 Ca -0.04 1.82 0.00 0.00 0.47 0.00 0.00 55.06 57.30 2wc0 s HIS 213 Cb 0.15 -3.07 0.00 0.00 -0.13 0.00 0.00 32.58 29.52 2wc0 s HIS 213 CO 0.59 0.14 0.96 -2.30 -2.47 0.00 0.00 174.74 171.65 2wc0 n PRO 214 N 1.99 0.00 0.15 2.88 -0.02 -1.26 -0.91 135.00 137.82 2wc0 n PRO 214 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2wc0 n PRO 214 Cb 0.47 -1.52 0.29 0.00 -0.02 0.00 0.00 33.50 32.72 2wc0 n PRO 214 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wc0 h PHE 215 N 0.00 0.10 0.00 6.00 3.04 -1.91 -2.20 116.94 121.97 2wc0 h PHE 215 Ca 0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2wc0 h PHE 215 Cb 0.04 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.53 2wc0 h PHE 215 CO 0.00 0.48 0.00 -1.13 -2.02 0.00 0.00 178.31 175.64 2wc0 n SER 216 N -4.04 0.21 -4.62 0.41 3.41 -0.09 -4.71 113.62 104.19 2wc0 n SER 216 Ca -0.02 0.55 -0.36 0.00 -0.26 0.00 0.00 58.87 58.78 2wc0 n SER 216 Cb 0.45 -0.59 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2wc0 n SER 216 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wc0 n LYS 217 N -1.73 0.65 -2.95 4.33 5.02 -0.83 -4.66 118.16 118.00 2wc0 n LYS 217 Ca 0.03 0.27 -0.43 0.00 -2.02 0.00 0.00 58.31 56.16 2wc0 n LYS 217 Cb 0.19 -2.21 -0.05 0.00 -0.02 0.00 0.00 35.03 32.94 2wc0 n LYS 217 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2wc0 s PHE 218 N -1.70 2.87 0.31 2.13 5.36 -1.26 -4.99 117.98 120.70 2wc0 s PHE 218 Ca 0.75 -0.25 0.17 0.00 -0.96 0.00 0.00 56.93 56.63 2wc0 s PHE 218 Cb -0.37 -3.91 0.79 0.00 -0.34 0.00 0.00 43.02 39.19 2wc0 s PHE 218 CO 0.49 -1.27 1.81 0.78 -1.46 0.00 0.00 175.22 175.57 2wc0 h GLY 219 N 10.56 0.00 1.33 13.12 0.00 -1.93 -3.30 103.07 122.86 2wc0 h GLY 219 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.79 2wc0 h GLY 219 CO 1.05 0.00 -1.47 -0.84 0.00 0.00 0.00 176.54 175.29 2wc0 h THR 220 N 0.00 1.16 -3.24 4.70 2.02 -1.92 -3.37 112.91 112.26 2wc0 h THR 220 Ca -0.00 -2.93 0.38 0.00 0.77 0.00 0.00 66.41 64.62 2wc0 h THR 220 Cb 0.73 2.62 -0.12 0.00 -1.74 0.00 0.00 68.15 69.63 2wc0 h THR 220 CO 0.05 0.71 -0.70 0.61 0.37 0.00 0.00 175.52 176.56 2wc0 n GLY 221 N 1.53 -2.26 1.83 2.16 0.00 -1.26 -4.63 105.19 102.56 2wc0 n GLY 221 Ca -0.12 -1.13 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 2wc0 n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wc0 n ASN 222 N -4.24 -0.84 -0.35 1.61 0.23 -1.26 -4.62 115.26 105.79 2wc0 n ASN 222 Ca -0.01 -1.45 0.06 0.00 -0.53 0.00 0.00 54.58 52.65 2wc0 n ASN 222 Cb 0.66 1.36 0.23 0.00 -2.08 0.00 0.00 39.78 39.95 2wc0 n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2wc0 h LYS 223 N 0.00 1.00 0.54 -3.83 1.63 -1.91 0.77 116.57 114.77 2wc0 h LYS 223 Ca -0.13 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 2wc0 h LYS 223 Cb 0.57 -0.23 0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2wc0 h LYS 223 CO 0.17 0.66 -0.26 -0.92 -3.45 0.00 0.00 179.45 175.66 2wc0 h TYR 224 N 1.03 -0.67 0.00 1.91 3.20 -1.96 0.29 116.97 120.77 2wc0 h TYR 224 Ca 0.47 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2wc0 h TYR 224 Cb 0.39 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2wc0 h TYR 224 CO -0.00 -0.41 0.00 1.79 -1.64 0.00 0.00 178.16 177.90 2wc0 h THR 225 N -0.75 0.00 0.00 1.81 1.35 -1.35 0.35 112.91 114.32 2wc0 h THR 225 Ca -0.07 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2wc0 h THR 225 Cb 0.57 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2wc0 h THR 225 CO 0.12 0.00 -0.55 -0.11 -0.25 0.00 0.00 175.52 174.73 2wc0 n LEU 226 N -2.80 0.32 0.09 3.87 7.94 0.08 -4.19 117.00 122.30 2wc0 n LEU 226 Ca 0.03 -0.42 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 2wc0 n LEU 226 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2wc0 n LEU 226 CO 0.30 0.08 -0.00 1.21 -1.11 0.00 0.00 177.39 177.87 2wc0 n GLU 227 N -1.29 0.00 0.14 1.96 2.13 -0.03 -4.84 120.64 118.70 2wc0 n GLU 227 Ca 0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 2wc0 n GLU 227 Cb 0.14 -0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.77 2wc0 n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2wc0 h THR 228 N 0.00 0.70 -0.52 6.31 2.02 -0.94 -1.83 112.91 118.64 2wc0 h THR 228 Ca 0.00 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.53 2wc0 h THR 228 Cb 0.00 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2wc0 h THR 228 CO 0.00 0.13 0.27 -0.09 0.37 0.00 0.00 175.52 176.20 2wc0 h ARG 229 N -0.79 0.50 -0.90 6.66 1.12 -0.55 -2.39 114.38 118.03 2wc0 h ARG 229 Ca -0.04 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 2wc0 h ARG 229 Cb 0.51 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.31 2wc0 h ARG 229 CO 0.07 0.33 0.50 -1.35 -3.11 0.00 0.00 179.97 176.41 2wc0 h PRO 230 N 0.52 1.26 -0.21 0.20 0.11 -1.75 -0.46 132.00 131.67 2wc0 h PRO 230 Ca 0.23 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 2wc0 h PRO 230 Cb 0.13 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2wc0 h PRO 230 CO -0.15 0.91 -0.24 -0.91 -0.21 0.00 0.00 178.00 177.40 2wc0 h ASN 231 N 1.26 0.38 -0.27 -2.05 -0.26 -1.07 -0.06 115.58 113.51 2wc0 h ASN 231 Ca 0.32 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 2wc0 h ASN 231 Cb 0.01 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2wc0 h ASN 231 CO -0.05 0.62 0.13 -0.61 -1.06 0.00 0.00 177.43 176.46 2wc0 h GLN 232 N 0.34 0.38 0.00 0.81 4.15 -1.05 -2.32 115.11 117.42 2wc0 h GLN 232 Ca 0.05 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wc0 h GLN 232 Cb 0.61 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2wc0 h GLN 232 CO 0.04 0.37 0.00 0.39 -1.93 0.00 0.00 178.83 177.70 2wc0 n GLU 233 N -4.81 0.92 -1.64 1.69 1.02 -0.22 -4.89 120.64 112.71 2wc0 n GLU 233 Ca -0.02 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 2wc0 n GLU 233 Cb 0.10 -1.07 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 2wc0 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc0 n GLY 234 N 0.48 1.75 3.84 0.62 0.00 -0.42 -5.02 105.19 106.44 2wc0 n GLY 234 Ca 0.03 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2wc0 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc0 s ILE 235 N -2.76 4.52 -0.31 -0.61 1.01 -0.17 -4.99 121.20 117.89 2wc0 s ILE 235 Ca 0.00 1.24 -0.00 0.00 0.00 0.00 0.00 60.65 61.88 2wc0 s ILE 235 Cb 0.00 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.84 2wc0 s ILE 235 CO 0.00 -0.59 0.00 -0.62 0.00 0.00 0.00 174.94 173.73 2wc0 s ASP 236 N -2.87 4.82 0.27 3.58 -1.08 -1.26 -4.36 116.67 115.77 2wc0 s ASP 236 Ca 0.59 -1.47 0.02 0.00 -0.52 0.00 0.00 52.55 51.17 2wc0 s ASP 236 Cb -0.10 -1.68 0.36 0.00 -1.46 0.00 0.00 42.92 40.05 2wc0 s ASP 236 CO 0.27 -0.29 1.69 0.58 0.52 0.00 0.00 175.17 177.95 2wc0 h VAL 237 N 6.54 1.27 -0.41 1.11 2.07 -1.96 -1.57 116.25 123.30 2wc0 h VAL 237 Ca -0.18 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.05 2wc0 h VAL 237 Cb 1.05 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2wc0 h VAL 237 CO 0.53 0.42 0.17 -0.09 0.02 0.00 0.00 177.57 178.62 2wc0 h ARG 238 N 0.44 0.34 -0.04 1.57 2.43 -1.94 0.41 114.38 117.58 2wc0 h ARG 238 Ca 0.06 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2wc0 h ARG 238 Cb 0.72 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2wc0 h ARG 238 CO 0.06 0.22 -0.16 0.37 -1.51 0.00 0.00 179.97 178.95 2wc0 h GLN 239 N 0.35 -0.23 -0.82 0.20 4.15 -1.73 0.34 115.11 117.37 2wc0 h GLN 239 Ca 0.18 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.75 2wc0 h GLN 239 Cb 0.14 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 2wc0 h GLN 239 CO -0.17 -0.15 0.42 0.93 -1.93 0.00 0.00 178.83 177.93 2wc0 h GLU 240 N -0.24 0.62 0.11 1.69 4.39 -0.80 0.78 114.58 121.12 2wc0 h GLU 240 Ca 0.07 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2wc0 h GLU 240 Cb 0.33 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2wc0 h GLU 240 CO -0.18 0.41 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.85 2wc0 h LEU 241 N 0.63 -0.41 -0.25 1.33 3.38 0.46 0.72 115.31 121.17 2wc0 h LEU 241 Ca 0.43 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.48 2wc0 h LEU 241 Cb 0.56 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2wc0 h LEU 241 CO -0.33 -0.23 0.07 -0.07 0.09 0.00 0.00 178.44 177.98 2wc0 h LEU 242 N -0.31 0.07 -0.71 1.67 3.38 -0.03 0.44 115.31 119.82 2wc0 h LEU 242 Ca 0.02 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2wc0 h LEU 242 Cb 0.32 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2wc0 h LEU 242 CO -0.07 0.07 0.44 0.50 0.09 0.00 0.00 178.44 179.47 2wc0 h LYS 243 N 0.18 0.81 -0.02 1.13 3.64 0.60 0.17 116.57 123.08 2wc0 h LYS 243 Ca 0.11 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2wc0 h LYS 243 Cb 0.09 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2wc0 h LYS 243 CO -0.12 0.54 -0.03 0.35 -2.27 0.00 0.00 179.45 177.92 2wc0 h PHE 244 N 0.84 0.07 -0.74 1.91 3.57 -0.34 0.15 116.94 122.40 2wc0 h PHE 244 Ca 0.30 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.92 2wc0 h PHE 244 Cb 0.07 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.70 2wc0 h PHE 244 CO -0.05 0.55 0.26 1.25 -2.23 0.00 0.00 178.31 178.09 2wc0 h HIS 245 N -0.43 0.43 0.00 0.41 2.76 0.06 -0.38 115.15 118.01 2wc0 h HIS 245 Ca 0.00 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 2wc0 h HIS 245 Cb 0.54 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 2wc0 h HIS 245 CO 0.10 0.02 -0.98 0.66 -1.30 0.00 0.00 177.93 176.43 2wc0 h SER 246 N 0.39 0.00 0.34 3.26 4.64 -0.22 0.79 113.55 122.75 2wc0 h SER 246 Ca 0.41 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 2wc0 h SER 246 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2wc0 h SER 246 CO -0.43 0.68 -0.44 0.00 -0.87 0.00 0.00 176.83 175.77 2wc0 h ALA 247 N 1.32 1.15 0.00 5.18 0.00 -0.43 -3.40 119.26 123.08 2wc0 h ALA 247 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wc0 h ALA 247 Cb 1.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2wc0 h ALA 247 CO 0.08 0.59 -0.86 0.66 0.00 0.00 0.00 179.25 179.71 2wc0 n TYR 248 N -4.00 0.00 -1.39 0.00 4.02 -0.18 -4.63 117.16 110.98 2wc0 n TYR 248 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.49 2wc0 n TYR 248 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 2wc0 n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wc0 n TYR 249 N -1.40 2.40 -3.73 -0.72 0.53 0.26 -4.88 117.16 109.62 2wc0 n TYR 249 Ca 0.00 -3.04 -0.35 0.00 -1.02 0.00 0.00 57.90 53.48 2wc0 n TYR 249 Cb 0.00 -2.40 -0.05 0.00 -1.03 0.00 0.00 39.34 35.85 2wc0 n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2wc0 s SER 250 N 1.95 6.53 0.53 7.72 0.15 -1.26 -4.87 113.70 124.45 2wc0 s SER 250 Ca 0.68 0.62 0.35 0.00 0.70 0.00 0.00 55.95 58.30 2wc0 s SER 250 Cb 0.18 -2.12 1.51 0.00 -1.71 0.00 0.00 66.02 63.89 2wc0 s SER 250 CO -0.06 0.28 1.81 0.77 1.20 0.00 0.00 173.24 177.24 2wc0 h SER 251 N 4.23 0.04 0.86 5.45 4.64 -1.25 -1.29 113.55 126.24 2wc0 h SER 251 Ca -0.51 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2wc0 h SER 251 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2wc0 h SER 251 CO 0.64 0.01 0.00 -0.55 -0.87 0.00 0.00 176.83 176.06 2wc0 h ASN 252 N 0.03 0.00 -0.58 4.97 -1.07 -1.81 -2.60 115.58 114.53 2wc0 h ASN 252 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.93 2wc0 h ASN 252 Cb 2.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.42 2wc0 h ASN 252 CO -0.03 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.65 2wc0 n LEU 253 N -2.93 5.10 -4.42 6.14 4.77 -0.49 -4.80 117.00 120.38 2wc0 n LEU 253 Ca 0.00 -2.58 -0.30 0.00 -0.03 0.00 0.00 56.01 53.11 2wc0 n LEU 253 Cb 0.27 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 2wc0 n LEU 253 CO 0.25 0.68 -0.54 -0.04 -1.33 0.00 0.00 177.39 176.41 2wc0 s MET 254 N -2.32 1.67 0.04 3.23 -1.94 -0.99 -1.11 119.30 117.87 2wc0 s MET 254 Ca 0.50 -1.21 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 2wc0 s MET 254 Cb 0.36 -2.01 -0.02 0.00 2.01 0.00 0.00 34.83 35.17 2wc0 s MET 254 CO 0.19 0.48 -0.14 0.00 -0.01 0.00 0.00 175.02 175.54 2wc0 s ALA 255 N -1.02 1.13 -0.03 3.03 0.00 -0.45 -2.55 121.76 121.88 2wc0 s ALA 255 Ca 0.15 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2wc0 s ALA 255 Cb -0.10 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2wc0 s ALA 255 CO 0.06 0.20 -0.06 0.08 0.00 0.00 0.00 175.76 176.04 2wc0 s VAL 256 N -0.88 0.61 -0.06 0.00 1.01 0.31 -1.24 120.40 120.15 2wc0 s VAL 256 Ca 0.01 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2wc0 s VAL 256 Cb -0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2wc0 s VAL 256 CO 0.01 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.43 2wc0 s VAL 257 N 0.50 2.44 -0.07 2.92 1.01 -0.51 -1.20 120.40 125.50 2wc0 s VAL 257 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2wc0 s VAL 257 Cb -0.11 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2wc0 s VAL 257 CO 0.00 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 2wc0 s VAL 258 N -0.35 1.00 -0.07 2.92 1.01 -0.88 -0.67 120.40 123.36 2wc0 s VAL 258 Ca 0.02 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.65 2wc0 s VAL 258 Cb -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2wc0 s VAL 258 CO 0.02 0.33 -0.15 -0.22 0.00 0.00 0.00 175.10 175.08 2wc0 s LEU 259 N 0.82 1.76 0.00 3.92 0.20 0.43 -1.67 118.68 124.13 2wc0 s LEU 259 Ca -0.12 -0.35 -0.03 0.00 0.69 0.00 0.00 54.13 54.32 2wc0 s LEU 259 Cb -0.15 -0.94 0.01 0.00 -0.43 0.00 0.00 46.19 44.68 2wc0 s LEU 259 CO 0.02 0.07 0.16 0.61 -0.29 0.00 0.00 176.35 176.92 2wc0 n GLY 260 N 3.68 1.84 0.12 7.98 0.00 -0.85 -1.92 105.19 116.05 2wc0 n GLY 260 Ca -0.22 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 2wc0 n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wc0 h ARG 261 N 0.00 0.00 -6.52 1.61 3.08 -1.85 0.20 114.38 110.89 2wc0 h ARG 261 Ca -0.07 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.41 2wc0 h ARG 261 Cb 0.25 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.49 2wc0 h ARG 261 CO 0.09 0.68 -0.54 0.39 -1.07 0.00 0.00 179.97 179.52 2wc0 n GLU 262 N -3.64 0.31 -1.34 0.04 4.71 -1.26 -4.30 120.64 115.16 2wc0 n GLU 262 Ca -0.01 0.14 -0.30 0.00 -0.01 0.00 0.00 57.16 56.98 2wc0 n GLU 262 Cb 0.69 -1.67 0.12 0.00 -1.01 0.00 0.00 31.44 29.57 2wc0 n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2wc0 s SER 263 N -1.32 3.76 0.40 1.62 1.04 -1.26 -4.63 113.70 113.30 2wc0 s SER 263 Ca 0.64 1.37 0.11 0.00 0.48 0.00 0.00 55.95 58.55 2wc0 s SER 263 Cb -0.38 -2.06 0.91 0.00 0.10 0.00 0.00 66.02 64.58 2wc0 s SER 263 CO 0.59 -2.44 1.95 -0.07 0.98 0.00 0.00 173.24 174.24 2wc0 h LEU 264 N -1.41 0.51 -0.00 2.42 3.38 -1.94 -1.05 115.31 117.21 2wc0 h LEU 264 Ca -0.49 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2wc0 h LEU 264 Cb 1.28 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wc0 h LEU 264 CO 0.57 0.30 0.00 0.44 0.09 0.00 0.00 178.44 179.84 2wc0 h ASP 265 N 0.57 0.01 -0.68 -0.43 3.45 -1.99 0.96 116.42 118.30 2wc0 h ASP 265 Ca 0.33 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 2wc0 h ASP 265 Cb 0.53 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.26 2wc0 h ASP 265 CO -0.11 0.20 0.25 0.44 -1.57 0.00 0.00 179.24 178.46 2wc0 h ASP 266 N -0.19 0.96 -0.69 6.45 3.32 -1.82 -2.40 116.42 122.05 2wc0 h ASP 266 Ca 0.00 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.88 2wc0 h ASP 266 Cb 0.20 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2wc0 h ASP 266 CO -0.00 0.88 0.45 -0.07 -1.72 0.00 0.00 179.24 178.78 2wc0 h LEU 267 N 0.98 0.75 -1.09 1.55 3.38 -1.01 0.24 115.31 120.11 2wc0 h LEU 267 Ca 0.23 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.36 2wc0 h LEU 267 Cb 0.24 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 2wc0 h LEU 267 CO -0.01 0.54 0.61 0.74 0.09 0.00 0.00 178.44 180.41 2wc0 h THR 268 N 0.89 0.74 0.03 0.22 2.02 -0.51 0.64 112.91 116.95 2wc0 h THR 268 Ca 0.26 -0.26 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 2wc0 h THR 268 Cb -0.05 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 2wc0 h THR 268 CO -0.08 0.14 -1.02 0.78 0.37 0.00 0.00 175.52 175.71 2wc0 h ASN 269 N 0.76 0.52 -0.24 4.18 2.35 -0.19 -1.31 115.58 121.65 2wc0 h ASN 269 Ca 0.55 -0.45 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2wc0 h ASN 269 Cb 0.86 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2wc0 h ASN 269 CO -0.33 1.27 -0.15 0.25 -1.65 0.00 0.00 177.43 176.82 2wc0 h LEU 270 N 0.20 0.54 -0.08 1.61 7.12 -0.29 0.35 115.31 124.76 2wc0 h LEU 270 Ca -0.10 -0.43 -0.01 0.00 0.13 0.00 0.00 57.88 57.47 2wc0 h LEU 270 Cb 1.67 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 2wc0 h LEU 270 CO 0.17 0.86 0.00 1.62 -0.13 0.00 0.00 178.44 180.96 2wc0 h VAL 271 N 0.23 1.25 -0.42 1.05 3.04 -0.82 -0.83 116.25 119.75 2wc0 h VAL 271 Ca 0.05 -0.79 0.05 0.00 -1.01 0.00 0.00 66.70 65.00 2wc0 h VAL 271 Cb 0.67 1.61 -0.05 0.00 -2.01 0.00 0.00 31.29 31.51 2wc0 h VAL 271 CO 0.04 0.22 0.14 0.58 -1.01 0.00 0.00 177.57 177.54 2wc0 h VAL 272 N -0.13 0.86 -0.42 1.51 2.07 -1.21 0.45 116.25 119.37 2wc0 h VAL 272 Ca 0.02 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2wc0 h VAL 272 Cb 0.34 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 2wc0 h VAL 272 CO 0.00 0.05 -0.19 0.50 0.02 0.00 0.00 177.57 177.96 2wc0 h LYS 273 N 0.30 -0.11 0.00 1.57 3.64 -0.03 -2.94 116.57 119.00 2wc0 h LYS 273 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2wc0 h LYS 273 Cb 0.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wc0 h LYS 273 CO -0.21 -0.07 -0.64 1.28 -2.27 0.00 0.00 179.45 177.54 2wc0 n LEU 274 N -5.38 0.59 0.00 5.20 4.77 -0.34 -4.51 117.00 117.33 2wc0 n LEU 274 Ca 0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wc0 n LEU 274 Cb 0.29 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2wc0 n LEU 274 CO 0.11 0.09 -0.19 0.49 -1.33 0.00 0.00 177.39 176.56 2wc0 n PHE 275 N -1.67 0.00 0.89 -1.77 3.01 0.08 -4.67 117.46 113.32 2wc0 n PHE 275 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.64 2wc0 n PHE 275 Cb 0.37 0.00 0.56 0.00 -0.01 0.00 0.00 39.48 40.39 2wc0 n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2wc0 n SER 276 N -0.97 0.12 0.00 4.37 3.41 -1.13 -2.24 113.62 117.18 2wc0 n SER 276 Ca 0.00 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 2wc0 n SER 276 Cb 0.00 -0.54 0.48 0.00 -0.26 0.00 0.00 64.21 63.88 2wc0 n SER 276 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2wc0 n GLU 277 N -1.61 0.95 -2.66 4.33 0.28 -1.26 -4.81 120.64 115.86 2wc0 n GLU 277 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.65 2wc0 n GLU 277 Cb 0.33 -1.26 -0.04 0.00 1.43 0.00 0.00 31.44 31.90 2wc0 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wc0 s VAL 278 N -2.00 4.41 0.44 3.84 1.01 -0.95 -4.99 120.40 122.15 2wc0 s VAL 278 Ca 0.24 1.93 -0.24 0.00 0.00 0.00 0.00 61.98 63.91 2wc0 s VAL 278 Cb 0.11 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 2wc0 s VAL 278 CO 0.19 0.26 1.23 -0.70 0.00 0.00 0.00 175.10 176.08 2wc0 s GLU 279 N 0.20 3.82 -0.36 2.72 2.12 -1.26 -4.68 118.70 121.26 2wc0 s GLU 279 Ca 0.49 1.96 -0.07 0.00 0.36 0.00 0.00 54.97 57.71 2wc0 s GLU 279 Cb -0.25 -2.56 0.05 0.00 0.26 0.00 0.00 34.13 31.63 2wc0 s GLU 279 CO 0.30 -0.55 0.15 1.21 -0.54 0.00 0.00 175.26 175.83 2wc0 s ASN 280 N -1.07 5.43 0.00 -1.70 2.47 -1.26 -0.82 114.94 117.99 2wc0 s ASN 280 Ca 0.61 -1.24 0.22 0.00 0.42 0.00 0.00 52.86 52.87 2wc0 s ASN 280 Cb -0.33 -1.91 0.56 0.00 -1.45 0.00 0.00 41.25 38.12 2wc0 s ASN 280 CO 0.41 -0.39 1.46 0.29 -3.72 0.00 0.00 177.10 175.16 2wc0 n LYS 281 N 4.84 2.13 -3.73 0.43 4.76 -1.26 -4.94 118.16 120.39 2wc0 n LYS 281 Ca -0.11 -1.70 -0.24 0.00 -2.87 0.00 0.00 58.31 53.39 2wc0 n LYS 281 Cb 0.44 -1.45 0.04 0.00 -1.84 0.00 0.00 35.03 32.22 2wc0 n LYS 281 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2wc0 n ASN 282 N 0.93 -2.93 -4.72 4.39 4.05 -1.26 -4.90 115.26 110.81 2wc0 n ASN 282 Ca 0.18 -0.76 -0.42 0.00 0.45 0.00 0.00 54.58 54.03 2wc0 n ASN 282 Cb 0.47 -4.21 -0.03 0.00 1.23 0.00 0.00 39.78 37.24 2wc0 n ASN 282 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2wc0 s VAL 283 N -3.49 3.36 0.45 3.44 1.01 -1.26 -5.03 120.40 118.88 2wc0 s VAL 283 Ca 0.27 1.03 -0.23 0.00 0.00 0.00 0.00 61.98 63.05 2wc0 s VAL 283 Cb -0.13 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2wc0 s VAL 283 CO 0.80 0.11 1.17 -2.16 0.00 0.00 0.00 175.10 175.02 2wc0 s PRO 284 N 0.62 3.80 -0.10 2.72 0.04 -1.26 -4.85 135.00 135.97 2wc0 s PRO 284 Ca 0.61 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 2wc0 s PRO 284 Cb -0.36 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 2wc0 s PRO 284 CO 0.33 -0.52 0.86 -1.17 0.04 0.00 0.00 177.00 176.55 2wc0 s LEU 285 N -2.95 4.26 0.42 -3.56 0.20 -1.26 -4.98 118.68 110.82 2wc0 s LEU 285 Ca 0.63 1.34 -0.26 0.00 0.69 0.00 0.00 54.13 56.52 2wc0 s LEU 285 Cb -0.29 -3.33 -0.09 0.00 -0.43 0.00 0.00 46.19 42.05 2wc0 s LEU 285 CO 0.35 -0.31 1.47 -2.84 -0.29 0.00 0.00 176.35 174.72 2wc0 s PRO 286 N 1.58 3.84 0.08 0.98 0.02 -1.26 -5.01 135.00 135.22 2wc0 s PRO 286 Ca 0.43 2.51 0.06 0.00 0.02 0.00 0.00 61.00 64.02 2wc0 s PRO 286 Cb -0.18 -2.78 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 2wc0 s PRO 286 CO 0.18 -0.73 -0.17 -1.21 -0.33 0.00 0.00 177.00 174.74 2wc0 s GLU 287 N -2.32 0.97 -0.48 5.54 0.41 -1.26 -4.84 118.70 116.72 2wc0 s GLU 287 Ca 0.58 -0.99 0.07 0.00 -0.41 0.00 0.00 54.97 54.21 2wc0 s GLU 287 Cb -0.45 -1.07 0.23 0.00 -1.78 0.00 0.00 34.13 31.06 2wc0 s GLU 287 CO 0.60 0.25 0.56 1.19 -0.49 0.00 0.00 175.26 177.36 2wc0 n PHE 288 N 1.33 0.83 0.30 1.61 3.72 0.14 -4.95 117.46 120.44 2wc0 n PHE 288 Ca -0.20 -3.73 0.14 0.00 -0.05 0.00 0.00 57.45 53.61 2wc0 n PHE 288 Cb 0.54 -0.34 0.43 0.00 -0.94 0.00 0.00 39.48 39.16 2wc0 n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wc0 h PRO 289 N 4.34 0.00 -5.99 -1.08 0.13 -1.82 -3.33 132.00 124.25 2wc0 h PRO 289 Ca 0.13 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.69 2wc0 h PRO 289 Cb 0.82 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.88 2wc0 h PRO 289 CO 0.56 0.00 0.47 -2.00 -0.23 0.00 0.00 178.00 176.80 2wc0 s GLU 290 N -3.39 4.30 0.17 0.86 2.12 -1.26 -4.82 118.70 116.68 2wc0 s GLU 290 Ca 0.05 1.10 -0.30 0.00 0.36 0.00 0.00 54.97 56.17 2wc0 s GLU 290 Cb 0.08 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.80 2wc0 s GLU 290 CO 0.59 -0.38 1.32 -1.58 -0.54 0.00 0.00 175.26 174.68 2wc0 s HIS 291 N 2.32 3.27 -0.18 5.30 5.65 -1.26 -4.87 115.29 125.51 2wc0 s HIS 291 Ca 0.40 1.15 0.25 0.00 0.25 0.00 0.00 55.06 57.11 2wc0 s HIS 291 Cb -0.16 -3.61 1.25 0.00 -1.18 0.00 0.00 32.58 28.87 2wc0 s HIS 291 CO 0.12 -1.99 1.77 -1.00 -0.65 0.00 0.00 174.74 172.99 2wc0 h PRO 292 N 5.87 0.00 -4.02 2.88 0.13 -1.94 -3.32 132.00 131.59 2wc0 h PRO 292 Ca -0.44 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.93 2wc0 h PRO 292 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 2wc0 h PRO 292 CO 0.80 0.00 -0.15 -0.06 -0.23 0.00 0.00 178.00 178.36 2wc0 s PHE 293 N -3.55 3.43 0.90 1.56 0.08 -1.26 -0.77 117.98 118.37 2wc0 s PHE 293 Ca -0.00 -1.62 -0.11 0.00 0.12 0.00 0.00 56.93 55.31 2wc0 s PHE 293 Cb 0.08 -3.75 0.20 0.00 -0.57 0.00 0.00 43.02 38.98 2wc0 s PHE 293 CO 0.30 -1.00 1.22 1.04 -0.10 0.00 0.00 175.22 176.68 2wc0 n GLN 294 N 4.76 -0.90 -0.40 0.44 1.13 -1.25 -4.92 117.38 116.24 2wc0 n GLN 294 Ca -0.04 -2.28 0.31 0.00 -1.94 0.00 0.00 57.00 53.05 2wc0 n GLN 294 Cb 0.42 -1.13 0.50 0.00 0.11 0.00 0.00 30.24 30.13 2wc0 n GLN 294 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2wc0 n GLU 295 N -3.50 -0.01 0.16 -1.09 -0.58 -1.26 -1.11 120.64 113.25 2wc0 n GLU 295 Ca 0.17 0.76 0.13 0.00 -0.42 0.00 0.00 57.16 57.79 2wc0 n GLU 295 Cb 0.58 -1.63 0.31 0.00 -0.57 0.00 0.00 31.44 30.13 2wc0 n GLU 295 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2wc0 h GLU 296 N 0.00 0.00 -0.28 3.49 9.09 -2.01 -3.35 114.58 121.52 2wc0 h GLU 296 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 2wc0 h GLU 296 Cb 2.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.30 2wc0 h GLU 296 CO -0.14 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.64 2wc0 n HIS 297 N -2.64 0.35 -3.43 2.06 8.25 -0.27 -4.92 115.22 114.62 2wc0 n HIS 297 Ca 0.05 -0.18 -0.20 0.00 -0.26 0.00 0.00 57.72 57.13 2wc0 n HIS 297 Cb 0.47 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 2wc0 n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wc0 s LEU 298 N -1.58 3.46 -1.42 2.41 1.43 -1.23 -4.54 118.68 117.22 2wc0 s LEU 298 Ca 0.36 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2wc0 s LEU 298 Cb 0.21 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2wc0 s LEU 298 CO 0.30 -0.67 0.67 0.29 0.23 0.00 0.00 176.35 177.17 2wc0 n LYS 299 N -1.62 -4.32 -4.41 1.70 5.02 0.17 -4.92 118.16 109.78 2wc0 n LYS 299 Ca 0.04 0.52 -0.29 0.00 -2.02 0.00 0.00 58.31 56.57 2wc0 n LYS 299 Cb 0.61 -5.01 -0.13 0.00 -0.02 0.00 0.00 35.03 30.48 2wc0 n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wc0 s GLN 300 N -6.39 1.40 -0.07 1.97 -1.52 -1.23 -0.72 119.66 113.10 2wc0 s GLN 300 Ca 0.20 -1.32 0.02 0.00 -1.95 0.00 0.00 55.36 52.31 2wc0 s GLN 300 Cb -0.10 -1.87 0.01 0.00 -0.22 0.00 0.00 33.01 30.83 2wc0 s GLN 300 CO 0.85 0.44 -0.14 -1.17 -0.25 0.00 0.00 175.29 175.03 2wc0 s LEU 301 N -2.00 1.69 -0.10 2.90 2.96 -0.38 -1.01 118.68 122.74 2wc0 s LEU 301 Ca 0.13 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2wc0 s LEU 301 Cb -0.10 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.69 2wc0 s LEU 301 CO 0.06 0.04 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.63 2wc0 s TYR 302 N 0.67 2.14 -0.20 5.38 1.51 0.16 -0.74 117.35 126.27 2wc0 s TYR 302 Ca -0.14 -0.91 -0.04 0.00 -1.01 0.00 0.00 57.07 54.97 2wc0 s TYR 302 Cb -0.16 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 2wc0 s TYR 302 CO 0.04 -0.41 -0.04 0.15 -1.11 0.00 0.00 175.55 174.18 2wc0 s LYS 303 N 0.59 3.46 -0.01 -0.62 1.02 -0.69 0.49 119.74 123.99 2wc0 s LYS 303 Ca -0.14 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.27 2wc0 s LYS 303 Cb -0.17 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 2wc0 s LYS 303 CO 0.05 -0.07 -0.09 0.42 -0.92 0.00 0.00 175.35 174.74 2wc0 s ILE 304 N 1.16 0.72 -0.32 2.17 1.01 0.23 -1.02 121.20 125.15 2wc0 s ILE 304 Ca 0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 2wc0 s ILE 304 Cb -0.14 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2wc0 s ILE 304 CO -0.00 0.21 0.52 -0.69 0.00 0.00 0.00 174.94 174.98 2wc0 s VAL 305 N -0.12 5.02 0.86 2.92 1.01 -1.01 -1.09 120.40 127.99 2wc0 s VAL 305 Ca 0.02 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 2wc0 s VAL 305 Cb -0.05 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.55 2wc0 s VAL 305 CO -0.00 -0.13 1.20 -2.16 0.00 0.00 0.00 175.10 174.00 2wc0 s PRO 306 N 2.39 1.30 -0.06 2.72 0.04 -1.26 -4.62 135.00 135.52 2wc0 s PRO 306 Ca 0.20 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.83 2wc0 s PRO 306 Cb -0.15 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2wc0 s PRO 306 CO 0.12 -1.93 -0.06 0.82 0.04 0.00 0.00 177.00 176.00 2wc0 h ILE 307 N -1.20 0.00 -3.00 0.56 1.08 -1.96 -3.47 117.51 109.52 2wc0 h ILE 307 Ca -0.44 -0.49 -0.49 0.00 -0.39 0.00 0.00 64.86 63.06 2wc0 h ILE 307 Cb 1.27 0.00 0.22 0.00 -3.07 0.00 0.00 36.82 35.24 2wc0 h ILE 307 CO 0.47 0.00 -0.66 0.29 -0.69 0.00 0.00 178.15 177.57 2wc0 n LYS 308 N -3.39 -1.10 -3.11 2.37 5.02 -1.26 -4.94 118.16 111.75 2wc0 n LYS 308 Ca -0.02 -0.29 -0.45 0.00 -2.02 0.00 0.00 58.31 55.52 2wc0 n LYS 308 Cb 0.09 -1.87 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 2wc0 n LYS 308 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wc0 s ASP 309 N -2.04 6.69 -0.01 4.39 2.15 -1.26 -4.90 116.67 121.70 2wc0 s ASP 309 Ca 0.59 -2.35 0.00 0.00 0.43 0.00 0.00 52.55 51.22 2wc0 s ASP 309 Cb -0.18 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2wc0 s ASP 309 CO 0.66 -0.83 -0.01 0.27 -0.17 0.00 0.00 175.17 175.09 2wc0 s ILE 310 N 1.51 0.11 -0.18 4.11 -4.36 -1.26 -4.86 121.20 116.27 2wc0 s ILE 310 Ca 0.26 -0.02 0.01 0.00 -0.26 0.00 0.00 60.65 60.64 2wc0 s ILE 310 Cb -0.07 -0.12 0.03 0.00 1.25 0.00 0.00 42.46 43.54 2wc0 s ILE 310 CO -0.09 0.05 -0.17 0.00 0.24 0.00 0.00 174.94 174.97 2wc0 s ARG 311 N 0.20 2.65 0.06 0.37 1.70 -1.26 -4.04 118.95 118.62 2wc0 s ARG 311 Ca -0.02 -0.78 0.03 0.00 -0.47 0.00 0.00 55.73 54.49 2wc0 s ARG 311 Cb -0.03 -2.43 -0.03 0.00 -0.57 0.00 0.00 34.95 31.89 2wc0 s ARG 311 CO -0.01 -0.26 -0.09 -0.80 -1.08 0.00 0.00 175.30 173.06 2wc0 s ASN 312 N 1.35 1.10 -0.09 -2.89 0.01 -1.05 -0.29 114.94 113.08 2wc0 s ASN 312 Ca 0.04 -0.60 0.04 0.00 -0.71 0.00 0.00 52.86 51.62 2wc0 s ASN 312 Cb -0.14 0.02 -0.01 0.00 0.41 0.00 0.00 41.25 41.53 2wc0 s ASN 312 CO -0.11 -0.19 -0.21 -0.22 -1.51 0.00 0.00 177.10 174.85 2wc0 s LEU 313 N -1.74 2.26 -0.22 0.60 2.96 -0.42 -0.05 118.68 122.07 2wc0 s LEU 313 Ca -0.06 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2wc0 s LEU 313 Cb -0.09 -1.45 0.05 0.00 0.50 0.00 0.00 46.19 45.20 2wc0 s LEU 313 CO 0.01 0.20 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.84 2wc0 s TYR 314 N 0.10 2.61 -0.15 5.38 2.02 0.11 -1.47 117.35 125.95 2wc0 s TYR 314 Ca -0.10 -1.81 -0.06 0.00 -0.37 0.00 0.00 57.07 54.73 2wc0 s TYR 314 Cb -0.16 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2wc0 s TYR 314 CO 0.06 -0.79 0.06 0.08 -1.57 0.00 0.00 175.55 173.39 2wc0 s VAL 315 N 1.33 4.80 -0.02 0.71 1.01 0.61 -1.00 120.40 127.85 2wc0 s VAL 315 Ca -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2wc0 s VAL 315 Cb -0.18 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 2wc0 s VAL 315 CO -0.07 0.52 -0.08 -0.89 0.00 0.00 0.00 175.10 174.58 2wc0 s THR 316 N -0.16 0.71 -0.15 3.92 2.01 -0.17 -1.42 115.64 120.37 2wc0 s THR 316 Ca 0.07 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.73 2wc0 s THR 316 Cb -0.12 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.80 2wc0 s THR 316 CO 0.01 0.21 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.68 2wc0 s PHE 317 N 0.03 2.03 0.49 4.92 0.40 -0.18 -0.77 117.98 124.91 2wc0 s PHE 317 Ca -0.00 -1.17 -0.23 0.00 -0.60 0.00 0.00 56.93 54.93 2wc0 s PHE 317 Cb -0.06 -1.51 -0.06 0.00 0.51 0.00 0.00 43.02 41.89 2wc0 s PHE 317 CO 0.00 -0.65 1.30 -1.25 0.70 0.00 0.00 175.22 175.32 2wc0 s PRO 318 N 1.53 3.49 0.08 0.24 0.04 -1.26 -0.91 135.00 138.21 2wc0 s PRO 318 Ca 0.04 2.10 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 2wc0 s PRO 318 Cb -0.13 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 32.00 2wc0 s PRO 318 CO -0.10 -0.87 0.23 0.96 0.04 0.00 0.00 177.00 177.26 2wc0 s ILE 319 N -1.36 0.12 0.95 0.56 -4.36 -0.56 -4.82 121.20 111.73 2wc0 s ILE 319 Ca 0.66 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.94 2wc0 s ILE 319 Cb -0.37 -1.19 0.16 0.00 1.25 0.00 0.00 42.46 42.32 2wc0 s ILE 319 CO 0.45 -0.55 1.09 -2.16 0.24 0.00 0.00 174.94 174.01 2wc0 s PRO 320 N -3.44 0.77 -0.21 0.37 0.04 -1.26 -1.74 135.00 129.53 2wc0 s PRO 320 Ca 0.02 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 2wc0 s PRO 320 Cb 0.03 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2wc0 s PRO 320 CO -0.09 -2.64 1.70 0.34 0.04 0.00 0.00 177.00 176.35 2wc0 s ASP 321 N -3.02 6.27 0.00 6.66 3.68 -1.24 -4.05 116.67 124.97 2wc0 s ASP 321 Ca 0.65 1.68 0.29 0.00 2.13 0.00 0.00 52.55 57.30 2wc0 s ASP 321 Cb -0.21 -2.53 1.20 0.00 -1.45 0.00 0.00 42.92 39.94 2wc0 s ASP 321 CO 0.59 -1.33 1.84 0.18 0.13 0.00 0.00 175.17 176.58 2wc0 n LEU 322 N 8.78 0.58 -0.27 -1.34 4.77 -1.26 -4.39 117.00 123.87 2wc0 n LEU 322 Ca 0.20 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2wc0 n LEU 322 Cb 0.45 -0.15 0.22 0.00 -2.33 0.00 0.00 43.42 41.61 2wc0 n LEU 322 CO 0.65 0.11 0.97 -0.61 -1.33 0.00 0.00 177.39 177.18 2wc0 h GLN 323 N 0.73 0.31 0.00 3.23 5.75 -1.99 0.20 115.11 123.34 2wc0 h GLN 323 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2wc0 h GLN 323 Cb 0.36 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2wc0 h GLN 323 CO 0.00 0.20 0.00 0.36 -2.65 0.00 0.00 178.83 176.74 2wc0 n LYS 324 N -5.12 0.13 -1.08 1.69 2.85 -1.26 -1.30 118.16 114.07 2wc0 n LYS 324 Ca 0.17 0.19 -0.13 0.00 -1.05 0.00 0.00 58.31 57.49 2wc0 n LYS 324 Cb 0.51 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.63 2wc0 n LYS 324 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wc0 n TYR 325 N -1.27 2.55 0.18 5.58 4.01 0.68 -4.73 117.16 124.17 2wc0 n TYR 325 Ca 0.04 -1.52 0.18 0.00 -0.16 0.00 0.00 57.90 56.45 2wc0 n TYR 325 Cb 0.07 -0.77 0.77 0.00 -0.31 0.00 0.00 39.34 39.09 2wc0 n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2wc0 h TYR 326 N 1.76 0.00 0.00 -0.72 -0.00 -1.31 0.43 116.97 117.12 2wc0 h TYR 326 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.97 2wc0 h TYR 326 Cb 2.49 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 39.19 2wc0 h TYR 326 CO 1.38 0.00 -0.83 0.87 -0.00 0.00 0.00 178.16 179.58 2wc0 h LYS 327 N 0.00 0.00 0.00 0.10 1.57 -1.87 -3.26 116.57 113.11 2wc0 h LYS 327 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2wc0 h LYS 327 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2wc0 h LYS 327 CO -0.00 0.83 -1.82 -1.13 -0.57 0.00 0.00 179.45 176.76 2wc0 n SER 328 N -3.51 1.63 -3.67 0.86 3.41 -0.18 0.80 113.62 112.95 2wc0 n SER 328 Ca -0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.31 2wc0 n SER 328 Cb 0.80 1.22 0.04 0.00 -0.26 0.00 0.00 64.21 66.01 2wc0 n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wc0 n ASN 329 N -2.28 -4.83 -0.19 4.04 2.85 -0.04 -4.81 115.26 110.01 2wc0 n ASN 329 Ca -0.13 -0.99 -0.00 0.00 -0.11 0.00 0.00 54.58 53.35 2wc0 n ASN 329 Cb 0.69 -3.52 0.09 0.00 1.24 0.00 0.00 39.78 38.28 2wc0 n ASN 329 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wc0 h PRO 330 N -1.84 0.16 -0.97 1.20 0.13 -1.92 -0.43 132.00 128.32 2wc0 h PRO 330 Ca -0.66 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 64.65 2wc0 h PRO 330 Cb 1.36 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 2wc0 h PRO 330 CO 0.49 0.10 0.61 0.78 -0.23 0.00 0.00 178.00 179.76 2wc0 h GLY 331 N 0.16 1.49 1.07 1.56 0.00 -1.93 0.47 103.07 105.89 2wc0 h GLY 331 Ca 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2wc0 h GLY 331 CO -0.45 -0.01 0.55 0.84 0.00 0.00 0.00 176.54 177.47 2wc0 h HIS 332 N 0.69 1.19 -0.31 5.60 6.17 -1.44 -0.69 115.15 126.35 2wc0 h HIS 332 Ca 0.54 -0.00 -0.16 0.00 0.71 0.00 0.00 60.37 61.46 2wc0 h HIS 332 Cb 0.93 -0.39 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 2wc0 h HIS 332 CO -0.00 0.79 -0.43 -0.92 0.71 0.00 0.00 177.93 178.07 2wc0 h TYR 333 N 1.25 0.97 0.00 5.26 3.20 0.28 0.11 116.97 128.04 2wc0 h TYR 333 Ca 0.33 -0.30 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 2wc0 h TYR 333 Cb -0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 2wc0 h TYR 333 CO 0.00 1.09 -0.53 -0.07 -1.64 0.00 0.00 178.16 177.02 2wc0 h LEU 334 N 0.64 0.00 -0.22 2.82 3.38 -1.17 -2.55 115.31 118.22 2wc0 h LEU 334 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2wc0 h LEU 334 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2wc0 h LEU 334 CO 0.10 0.53 -0.09 1.23 0.09 0.00 0.00 178.44 180.29 2wc0 h GLY 335 N 3.25 0.50 0.39 0.83 0.00 -0.77 0.43 103.07 107.70 2wc0 h GLY 335 Ca -0.01 -0.44 0.13 0.00 0.00 0.00 0.00 47.33 47.02 2wc0 h GLY 335 CO 0.07 0.40 0.59 0.84 0.00 0.00 0.00 176.54 178.44 2wc0 h HIS 336 N 0.18 1.06 0.09 5.60 -0.00 -0.69 -0.97 115.15 120.43 2wc0 h HIS 336 Ca 0.05 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.28 2wc0 h HIS 336 Cb 0.58 -0.33 0.01 0.00 -0.00 0.00 0.00 27.41 27.67 2wc0 h HIS 336 CO 0.06 0.38 -0.82 -0.07 -0.00 0.00 0.00 177.93 177.48 2wc0 h LEU 337 N 0.90 0.30 -1.86 0.26 3.38 -1.11 -2.16 115.31 115.01 2wc0 h LEU 337 Ca 0.50 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2wc0 h LEU 337 Cb 0.56 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wc0 h LEU 337 CO -0.29 1.37 -0.13 0.40 0.09 0.00 0.00 178.44 179.88 2wc0 h ILE 338 N -0.55 0.66 -0.02 1.22 2.04 -0.87 -0.84 117.51 119.16 2wc0 h ILE 338 Ca -0.17 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2wc0 h ILE 338 Cb 1.50 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2wc0 h ILE 338 CO 0.06 0.13 -0.43 0.61 0.00 0.00 0.00 178.15 178.52 2wc0 n GLY 339 N -0.74 0.01 3.52 5.37 0.00 -0.37 -4.66 105.19 108.32 2wc0 n GLY 339 Ca -0.02 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 2wc0 n GLY 339 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wc0 n HIS 340 N -0.03 -0.12 0.02 1.61 -0.00 -0.32 -4.85 115.22 111.53 2wc0 n HIS 340 Ca 0.10 0.45 0.01 0.00 -0.00 0.00 0.00 57.72 58.28 2wc0 n HIS 340 Cb 0.46 -2.03 0.01 0.00 -0.00 0.00 0.00 29.99 28.44 2wc0 n HIS 340 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2wc0 n GLU 341 N -0.33 0.83 -0.65 1.57 1.02 -1.26 -4.34 120.64 117.47 2wc0 n GLU 341 Ca 0.12 -1.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.22 2wc0 n GLU 341 Cb 0.47 -1.03 0.02 0.00 -0.02 0.00 0.00 31.44 30.89 2wc0 n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc0 n GLY 342 N -0.13 -0.09 3.73 0.62 0.00 -1.26 -4.41 105.19 103.65 2wc0 n GLY 342 Ca 0.01 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2wc0 n GLY 342 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wc0 s PRO 343 N -3.09 4.14 0.00 1.61 0.02 -1.26 -1.61 135.00 134.81 2wc0 s PRO 343 Ca 0.11 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2wc0 s PRO 343 Cb -0.00 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2wc0 s PRO 343 CO 0.07 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 2wc0 n GLY 344 N 3.25 0.31 3.69 0.52 0.00 -1.26 -4.76 105.19 106.94 2wc0 n GLY 344 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2wc0 n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wc0 s SER 345 N -2.24 2.62 0.20 1.61 1.04 -0.63 -2.30 113.70 113.99 2wc0 s SER 345 Ca 0.00 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.45 2wc0 s SER 345 Cb 0.00 -1.77 0.13 0.00 0.10 0.00 0.00 66.02 64.48 2wc0 s SER 345 CO 0.00 -3.12 1.77 0.25 0.98 0.00 0.00 173.24 173.11 2wc0 h LEU 346 N -1.89 0.98 -0.11 2.42 5.85 -1.83 -3.03 115.31 117.71 2wc0 h LEU 346 Ca -0.54 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.05 2wc0 h LEU 346 Cb 1.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2wc0 h LEU 346 CO 0.58 0.87 -0.09 0.25 -0.34 0.00 0.00 178.44 179.71 2wc0 h LEU 347 N 1.03 -0.28 -0.39 2.25 6.46 -1.85 -2.43 115.31 120.10 2wc0 h LEU 347 Ca 0.24 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.14 2wc0 h LEU 347 Cb 0.18 0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.19 2wc0 h LEU 347 CO -0.02 -0.12 -0.03 0.28 -0.62 0.00 0.00 178.44 177.92 2wc0 h SER 348 N -0.10 -0.23 -0.65 1.25 0.02 -1.80 0.56 113.55 112.60 2wc0 h SER 348 Ca 0.07 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2wc0 h SER 348 Cb 0.21 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2wc0 h SER 348 CO -0.17 -0.07 0.21 -0.08 -1.14 0.00 0.00 176.83 175.58 2wc0 h GLU 349 N 0.07 1.00 0.00 3.45 4.57 -1.49 0.47 114.58 122.65 2wc0 h GLU 349 Ca 0.19 -0.21 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 2wc0 h GLU 349 Cb 0.28 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2wc0 h GLU 349 CO -0.35 0.87 -0.57 -0.07 -1.18 0.00 0.00 179.01 177.71 2wc0 h LEU 350 N 0.93 0.00 -0.09 1.64 3.38 -0.07 -1.85 115.31 119.24 2wc0 h LEU 350 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2wc0 h LEU 350 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wc0 h LEU 350 CO -0.01 0.57 0.06 0.11 0.09 0.00 0.00 178.44 179.26 2wc0 h LYS 351 N 0.00 0.12 -0.77 1.13 1.57 0.24 -1.80 116.57 117.06 2wc0 h LYS 351 Ca -0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2wc0 h LYS 351 Cb 1.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 2wc0 h LYS 351 CO 0.07 0.10 0.31 0.77 -0.57 0.00 0.00 179.45 180.14 2wc0 h SER 352 N 0.10 1.06 0.25 0.86 0.02 -0.49 0.39 113.55 115.75 2wc0 h SER 352 Ca 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2wc0 h SER 352 Cb 0.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2wc0 h SER 352 CO -0.01 0.93 0.00 0.29 -1.14 0.00 0.00 176.83 176.91 2wc0 n LYS 353 N -4.28 0.19 -1.24 3.45 4.76 -0.73 -4.88 118.16 115.43 2wc0 n LYS 353 Ca 0.07 0.16 -0.08 0.00 -2.87 0.00 0.00 58.31 55.59 2wc0 n LYS 353 Cb 0.18 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2wc0 n LYS 353 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wc0 n GLY 354 N -0.14 0.98 0.11 0.72 0.00 0.14 -4.94 105.19 102.05 2wc0 n GLY 354 Ca 0.06 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 2wc0 n GLY 354 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wc0 h TRP 355 N 0.00 0.31 -3.79 1.61 6.55 -1.52 -3.37 115.95 115.74 2wc0 h TRP 355 Ca -0.16 -0.23 -0.12 0.00 0.95 0.00 0.00 58.89 59.33 2wc0 h TRP 355 Cb 0.52 -0.01 -0.17 0.00 -0.86 0.00 0.00 29.16 28.64 2wc0 h TRP 355 CO 0.22 1.42 -0.50 0.14 -1.05 0.00 0.00 178.44 178.68 2wc0 s VAL 356 N -2.59 0.13 -0.22 1.49 -7.23 -1.11 -1.18 120.40 109.70 2wc0 s VAL 356 Ca -0.13 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2wc0 s VAL 356 Cb 0.07 -0.97 -0.14 0.00 0.56 0.00 0.00 36.38 35.90 2wc0 s VAL 356 CO 0.81 -0.61 -0.20 0.59 -0.31 0.00 0.00 175.10 175.37 2wc0 n ASN 357 N 0.64 2.25 -4.27 4.85 3.02 -1.22 -3.83 115.26 116.70 2wc0 n ASN 357 Ca -0.18 -0.07 -0.21 0.00 -0.03 0.00 0.00 54.58 54.08 2wc0 n ASN 357 Cb 0.59 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 2wc0 n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wc0 s THR 358 N -2.43 1.54 0.01 3.41 -4.23 -1.26 -4.98 115.64 107.70 2wc0 s THR 358 Ca -0.29 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2wc0 s THR 358 Cb 0.08 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 2wc0 s THR 358 CO 0.49 -0.25 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.00 2wc0 s LEU 359 N -2.22 2.08 -0.05 4.79 0.20 -1.26 -2.55 118.68 119.66 2wc0 s LEU 359 Ca 0.08 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.65 2wc0 s LEU 359 Cb -0.07 -0.44 0.02 0.00 -0.43 0.00 0.00 46.19 45.26 2wc0 s LEU 359 CO 0.04 0.05 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.39 2wc0 s VAL 360 N -0.48 0.75 0.22 1.68 1.01 0.51 -4.96 120.40 119.12 2wc0 s VAL 360 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2wc0 s VAL 360 Cb -0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2wc0 s VAL 360 CO 0.00 0.27 0.08 -0.83 0.00 0.00 0.00 175.10 174.62 2wc0 s GLY 361 N 0.82 1.49 0.00 4.51 0.00 -1.26 -0.66 107.32 112.22 2wc0 s GLY 361 Ca -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.86 2wc0 s GLY 361 CO 0.01 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.20 2wc0 n GLY 362 N -0.34 0.61 3.84 0.20 0.00 -0.06 -4.66 105.19 104.77 2wc0 n GLY 362 Ca -0.02 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 2wc0 n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wc0 s GLN 363 N -0.96 4.02 -0.04 1.61 -2.07 -1.26 0.01 119.66 120.96 2wc0 s GLN 363 Ca 0.00 0.56 0.02 0.00 -1.82 0.00 0.00 55.36 54.12 2wc0 s GLN 363 Cb 0.00 -2.86 0.01 0.00 -1.09 0.00 0.00 33.01 29.07 2wc0 s GLN 363 CO 0.00 0.42 -0.08 0.21 -1.32 0.00 0.00 175.29 174.53 2wc0 s LYS 364 N -2.11 1.06 0.82 9.60 2.20 -0.01 -4.91 119.74 126.38 2wc0 s LYS 364 Ca 0.41 -0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 55.65 2wc0 s LYS 364 Cb -0.15 -0.98 0.09 0.00 -1.51 0.00 0.00 37.83 35.29 2wc0 s LYS 364 CO 0.20 0.02 1.15 -1.21 -0.36 0.00 0.00 175.35 175.15 2wc0 s GLU 365 N 0.57 1.71 0.00 4.03 2.02 -1.26 0.14 118.70 125.90 2wc0 s GLU 365 Ca -0.09 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.43 2wc0 s GLU 365 Cb -0.12 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.30 2wc0 s GLU 365 CO 0.01 -2.11 0.00 0.41 0.02 0.00 0.00 175.26 173.59 2wc0 n GLY 366 N -0.07 0.50 0.23 -1.39 0.00 -1.12 -4.56 105.19 98.78 2wc0 n GLY 366 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2wc0 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc0 n ALA 367 N -2.94 -0.05 -1.51 4.61 0.00 -0.69 -4.99 120.51 114.94 2wc0 n ALA 367 Ca 0.00 -0.10 -0.51 0.00 0.00 0.00 0.00 53.44 52.83 2wc0 n ALA 367 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 2wc0 n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wc0 n ARG 368 N -0.04 1.28 0.00 0.00 1.74 -1.26 -1.39 116.66 116.98 2wc0 n ARG 368 Ca -0.00 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2wc0 n ARG 368 Cb 0.04 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 2wc0 n ARG 368 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wc0 n GLY 369 N 5.99 1.53 3.26 -0.13 0.00 -1.26 0.27 105.19 114.85 2wc0 n GLY 369 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 2wc0 n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wc0 s PHE 370 N -2.17 -0.19 0.21 1.61 -0.12 -0.49 -3.67 117.98 113.16 2wc0 s PHE 370 Ca 0.00 0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 57.10 2wc0 s PHE 370 Cb 0.00 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 2wc0 s PHE 370 CO 0.00 -0.43 0.18 -1.64 -0.05 0.00 0.00 175.22 173.28 2wc0 s MET 371 N -1.64 1.28 0.27 1.99 -1.94 -0.71 -1.70 119.30 116.85 2wc0 s MET 371 Ca -0.11 -1.61 0.09 0.00 -1.71 0.00 0.00 55.69 52.35 2wc0 s MET 371 Cb -0.04 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 37.05 2wc0 s MET 371 CO 0.03 -0.44 -0.13 -0.06 -0.01 0.00 0.00 175.02 174.41 2wc0 s PHE 372 N -4.09 2.06 -0.08 -0.03 0.40 0.12 -1.50 117.98 114.86 2wc0 s PHE 372 Ca 0.37 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2wc0 s PHE 372 Cb 0.06 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.56 2wc0 s PHE 372 CO 0.13 0.49 -0.20 0.12 0.70 0.00 0.00 175.22 176.45 2wc0 s PHE 373 N -2.78 2.14 0.08 0.36 2.19 -0.08 -0.83 117.98 119.05 2wc0 s PHE 373 Ca 0.28 -0.79 0.08 0.00 0.33 0.00 0.00 56.93 56.83 2wc0 s PHE 373 Cb -0.00 -1.45 -0.03 0.00 -1.31 0.00 0.00 43.02 40.22 2wc0 s PHE 373 CO 0.12 -0.32 -0.21 0.96 1.83 0.00 0.00 175.22 177.61 2wc0 s ILE 374 N 0.31 1.68 -0.09 3.12 -5.25 0.10 -1.01 121.20 120.05 2wc0 s ILE 374 Ca -0.14 -1.44 -0.01 0.00 -0.99 0.00 0.00 60.65 58.08 2wc0 s ILE 374 Cb -0.16 -1.51 0.03 0.00 2.95 0.00 0.00 42.46 43.77 2wc0 s ILE 374 CO 0.06 0.01 -0.04 -0.63 -1.79 0.00 0.00 174.94 172.55 2wc0 s ILE 375 N -1.06 0.74 -0.04 8.37 1.01 -0.51 -0.88 121.20 128.83 2wc0 s ILE 375 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2wc0 s ILE 375 Cb -0.10 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2wc0 s ILE 375 CO 0.03 0.32 -0.13 0.20 0.00 0.00 0.00 174.94 175.36 2wc0 s ASN 376 N 1.79 1.72 0.18 3.58 0.01 0.16 -0.28 114.94 122.10 2wc0 s ASN 376 Ca 0.04 -0.28 0.08 0.00 -0.71 0.00 0.00 52.86 51.99 2wc0 s ASN 376 Cb -0.12 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.96 2wc0 s ASN 376 CO -0.07 0.10 -0.15 0.68 -1.51 0.00 0.00 177.10 176.15 2wc0 s VAL 377 N 0.21 1.68 0.12 1.60 -7.23 -0.54 -0.36 120.40 115.88 2wc0 s VAL 377 Ca -0.05 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 57.94 2wc0 s VAL 377 Cb -0.11 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 2wc0 s VAL 377 CO 0.02 -0.49 0.49 1.51 -0.31 0.00 0.00 175.10 176.32 2wc0 s ASP 378 N -2.99 6.76 -0.09 4.85 3.84 -1.06 -1.29 116.67 126.69 2wc0 s ASP 378 Ca 0.18 0.97 -0.02 0.00 -0.00 0.00 0.00 52.55 53.68 2wc0 s ASP 378 Cb -0.03 -2.25 -0.03 0.00 -1.38 0.00 0.00 42.92 39.23 2wc0 s ASP 378 CO 0.06 0.14 0.02 -0.76 -0.00 0.00 0.00 175.17 174.63 2wc0 s LEU 379 N -1.89 3.70 1.15 2.11 1.43 0.60 -3.44 118.68 122.33 2wc0 s LEU 379 Ca 0.35 0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 2wc0 s LEU 379 Cb -0.15 -1.87 0.27 0.00 0.03 0.00 0.00 46.19 44.47 2wc0 s LEU 379 CO 0.19 0.38 1.16 0.42 0.23 0.00 0.00 176.35 178.72 2wc0 s THR 380 N -0.92 1.68 0.04 5.49 -4.23 -0.32 -4.64 115.64 112.74 2wc0 s THR 380 Ca 0.14 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.43 2wc0 s THR 380 Cb -0.11 -2.61 -0.15 0.00 1.34 0.00 0.00 72.50 70.97 2wc0 s THR 380 CO 0.03 0.00 1.43 -0.33 -0.54 0.00 0.00 174.62 175.21 2wc0 h GLU 381 N -2.38 0.19 -0.39 3.99 5.08 -1.89 -0.61 114.58 118.56 2wc0 h GLU 381 Ca -0.44 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 57.93 2wc0 h GLU 381 Cb 1.28 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.43 2wc0 h GLU 381 CO 0.34 0.48 -0.29 0.93 -1.00 0.00 0.00 179.01 179.48 2wc0 h GLU 382 N -0.12 -0.21 -0.69 2.33 4.39 -1.93 -2.94 114.58 115.42 2wc0 h GLU 382 Ca 0.03 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.89 2wc0 h GLU 382 Cb 0.41 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.00 2wc0 h GLU 382 CO 0.01 -0.14 0.08 0.78 -1.16 0.00 0.00 179.01 178.58 2wc0 h GLY 383 N -0.22 0.85 0.27 -3.84 0.00 -1.51 0.84 103.07 99.45 2wc0 h GLY 383 Ca 0.18 0.03 0.17 0.00 0.00 0.00 0.00 47.33 47.71 2wc0 h GLY 383 CO -0.52 -0.21 0.61 -2.00 0.00 0.00 0.00 176.54 174.42 2wc0 h LEU 384 N 0.18 0.75 0.00 3.11 5.85 -0.99 0.33 115.31 124.54 2wc0 h LEU 384 Ca 0.38 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2wc0 h LEU 384 Cb 0.63 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2wc0 h LEU 384 CO -0.54 0.31 0.00 0.18 -0.34 0.00 0.00 178.44 178.06 2wc0 n LEU 385 N -4.67 0.00 -2.13 2.25 4.77 0.29 -4.12 117.00 113.39 2wc0 n LEU 385 Ca 0.21 0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 56.54 2wc0 n LEU 385 Cb 0.53 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2wc0 n LEU 385 CO 0.25 -0.16 0.14 1.41 -1.33 0.00 0.00 177.39 177.69 2wc0 n HIS 386 N -1.48 2.03 -0.12 -1.77 8.25 0.11 -4.86 115.22 117.38 2wc0 n HIS 386 Ca 0.05 -2.08 -0.06 0.00 -0.26 0.00 0.00 57.72 55.37 2wc0 n HIS 386 Cb 0.22 -0.30 0.02 0.00 1.12 0.00 0.00 29.99 31.06 2wc0 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wc0 h VAL 387 N 3.23 0.91 -0.47 1.59 2.07 -1.68 -1.27 116.25 120.63 2wc0 h VAL 387 Ca 0.18 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2wc0 h VAL 387 Cb 1.44 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2wc0 h VAL 387 CO 0.52 0.06 0.31 -0.08 0.02 0.00 0.00 177.57 178.39 2wc0 h GLU 388 N 0.32 0.52 -0.17 1.57 4.81 -1.92 0.22 114.58 119.94 2wc0 h GLU 388 Ca 0.18 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 2wc0 h GLU 388 Cb 0.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2wc0 h GLU 388 CO -0.16 0.34 -0.67 -0.44 -0.73 0.00 0.00 179.01 177.35 2wc0 h ASP 389 N 0.54 0.78 -0.02 1.04 3.32 -1.75 -1.35 116.42 118.98 2wc0 h ASP 389 Ca 0.19 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2wc0 h ASP 389 Cb 0.08 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2wc0 h ASP 389 CO -0.05 1.24 0.01 0.40 -1.72 0.00 0.00 179.24 179.12 2wc0 h ILE 390 N 0.49 1.01 -0.88 0.35 2.04 -0.37 0.12 117.51 120.26 2wc0 h ILE 390 Ca -0.02 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2wc0 h ILE 390 Cb 1.26 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2wc0 h ILE 390 CO 0.13 0.01 0.47 0.40 0.00 0.00 0.00 178.15 179.16 2wc0 h ILE 391 N 0.02 1.26 -0.84 -0.67 2.04 -0.48 0.33 117.51 119.16 2wc0 h ILE 391 Ca 0.01 -0.65 0.14 0.00 1.00 0.00 0.00 64.86 65.36 2wc0 h ILE 391 Cb 0.00 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.07 2wc0 h ILE 391 CO -0.00 0.29 0.43 0.25 0.00 0.00 0.00 178.15 179.13 2wc0 h LEU 392 N 1.24 0.53 -0.53 1.44 5.85 -0.82 0.82 115.31 123.83 2wc0 h LEU 392 Ca 0.31 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.96 2wc0 h LEU 392 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2wc0 h LEU 392 CO -0.05 0.23 -0.48 0.45 -0.34 0.00 0.00 178.44 178.25 2wc0 h HIS 393 N 0.63 0.80 -0.69 1.25 3.86 0.23 -0.96 115.15 120.26 2wc0 h HIS 393 Ca 0.46 -0.26 0.08 0.00 -1.16 0.00 0.00 60.37 59.49 2wc0 h HIS 393 Cb 0.63 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.88 2wc0 h HIS 393 CO -0.09 1.00 0.35 0.52 0.86 0.00 0.00 177.93 180.58 2wc0 h MET 394 N 0.52 0.60 0.00 2.45 2.86 0.76 -1.64 114.93 120.49 2wc0 h MET 394 Ca 0.03 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2wc0 h MET 394 Cb 1.02 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2wc0 h MET 394 CO 0.10 0.40 -0.44 0.74 1.06 0.00 0.00 176.91 178.77 2wc0 h PHE 395 N 0.62 0.00 -0.53 -0.22 -1.00 -0.25 -1.18 116.94 114.39 2wc0 h PHE 395 Ca 0.33 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.99 2wc0 h PHE 395 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 2wc0 h PHE 395 CO -0.10 0.44 -0.13 1.96 -1.61 0.00 0.00 178.31 178.87 2wc0 h GLN 396 N 0.00 1.03 -0.34 1.51 4.20 -0.68 0.11 115.11 120.94 2wc0 h GLN 396 Ca -0.00 -0.40 -0.14 0.00 0.06 0.00 0.00 58.65 58.17 2wc0 h GLN 396 Cb 0.84 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2wc0 h GLN 396 CO 0.06 1.08 -0.34 -0.92 -0.67 0.00 0.00 178.83 178.04 2wc0 h TYR 397 N 0.90 0.91 -0.38 2.96 3.20 -0.78 0.11 116.97 123.90 2wc0 h TYR 397 Ca 0.13 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 2wc0 h TYR 397 Cb 0.71 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2wc0 h TYR 397 CO 0.05 1.01 0.03 0.82 -1.64 0.00 0.00 178.16 178.42 2wc0 h ILE 398 N 0.65 1.20 -0.11 1.81 2.04 -0.99 -2.63 117.51 119.49 2wc0 h ILE 398 Ca 0.07 -0.79 -0.14 0.00 1.00 0.00 0.00 64.86 64.99 2wc0 h ILE 398 Cb 0.89 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2wc0 h ILE 398 CO 0.08 0.28 -0.54 -0.61 0.00 0.00 0.00 178.15 177.35 2wc0 h GLN 399 N 0.57 0.31 -0.06 2.37 5.75 0.78 -1.14 115.11 123.68 2wc0 h GLN 399 Ca 0.12 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 2wc0 h GLN 399 Cb 0.32 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2wc0 h GLN 399 CO 0.01 0.78 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.67 2wc0 h LYS 400 N 0.24 0.09 -0.31 1.69 1.63 -0.50 0.61 116.57 120.02 2wc0 h LYS 400 Ca 0.00 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.61 2wc0 h LYS 400 Cb 1.03 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2wc0 h LYS 400 CO 0.09 0.18 -0.49 -0.07 -3.45 0.00 0.00 179.45 175.70 2wc0 h LEU 401 N 0.09 0.98 -0.36 5.20 3.38 -0.93 -0.93 115.31 122.73 2wc0 h LEU 401 Ca 0.02 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2wc0 h LEU 401 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wc0 h LEU 401 CO 0.01 1.30 0.18 0.03 0.09 0.00 0.00 178.44 180.05 2wc0 h ARG 402 N 0.68 0.52 -0.16 1.13 3.08 -0.31 -1.32 114.38 118.00 2wc0 h ARG 402 Ca 0.03 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2wc0 h ARG 402 Cb 1.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2wc0 h ARG 402 CO 0.11 0.46 -0.29 0.00 -1.07 0.00 0.00 179.97 179.18 2wc0 h ALA 403 N 1.03 1.20 0.00 0.04 0.00 -0.75 -1.47 119.26 119.31 2wc0 h ALA 403 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2wc0 h ALA 403 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wc0 h ALA 403 CO -0.02 0.52 -0.49 0.93 0.00 0.00 0.00 179.25 180.20 2wc0 h GLU 404 N 0.28 0.00 -2.41 0.00 4.39 -0.86 -3.51 114.58 112.47 2wc0 h GLU 404 Ca 0.04 0.00 0.26 0.00 0.34 0.00 0.00 59.36 60.00 2wc0 h GLU 404 Cb 0.66 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.20 2wc0 h GLU 404 CO 0.05 0.49 -0.74 0.41 -1.16 0.00 0.00 179.01 178.06 2wc0 n GLY 405 N 1.17 -2.71 3.60 -3.84 0.00 -0.53 -4.96 105.19 97.92 2wc0 n GLY 405 Ca 0.02 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 2wc0 n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wc0 n PRO 406 N -3.74 0.55 -3.98 1.61 -0.02 -1.26 -4.97 135.00 123.20 2wc0 n PRO 406 Ca -0.04 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 2wc0 n PRO 406 Cb 0.48 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 2wc0 n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wc0 s GLN 407 N -3.18 1.77 0.24 -0.52 -1.52 -1.26 -5.00 119.66 110.18 2wc0 s GLN 407 Ca 0.73 -1.17 -0.05 0.00 -1.95 0.00 0.00 55.36 52.92 2wc0 s GLN 407 Cb -0.36 -2.71 0.40 0.00 -0.22 0.00 0.00 33.01 30.13 2wc0 s GLN 407 CO 0.50 -0.63 1.76 1.49 -0.25 0.00 0.00 175.29 178.16 2wc0 h GLU 408 N 7.88 0.53 -0.32 2.91 4.81 -2.00 -2.63 114.58 125.75 2wc0 h GLU 408 Ca -0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 2wc0 h GLU 408 Cb 1.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2wc0 h GLU 408 CO 0.44 0.35 -0.15 0.11 -0.73 0.00 0.00 179.01 179.03 2wc0 h TRP 409 N 0.54 0.61 0.63 0.92 5.08 -1.98 0.91 115.95 122.66 2wc0 h TRP 409 Ca 0.39 -0.10 -0.02 0.00 1.08 0.00 0.00 58.89 60.23 2wc0 h TRP 409 Cb 0.50 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.49 2wc0 h TRP 409 CO -0.13 0.68 -0.50 0.28 -1.28 0.00 0.00 178.44 177.49 2wc0 h VAL 410 N 0.51 0.02 -0.76 0.12 2.07 -1.91 0.28 116.25 116.57 2wc0 h VAL 410 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 2wc0 h VAL 410 Cb 0.55 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 30.20 2wc0 h VAL 410 CO 0.04 0.00 -0.08 0.15 0.02 0.00 0.00 177.57 177.70 2wc0 h PHE 411 N -1.09 -0.20 -0.88 1.57 3.57 -1.20 -0.75 116.94 117.95 2wc0 h PHE 411 Ca -0.08 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2wc0 h PHE 411 Cb 0.92 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 2wc0 h PHE 411 CO -0.19 -0.28 0.58 0.37 -2.23 0.00 0.00 178.31 176.56 2wc0 h GLN 412 N 0.05 1.12 -0.09 1.11 5.75 -0.35 0.42 115.11 123.12 2wc0 h GLN 412 Ca 0.39 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.81 2wc0 h GLN 412 Cb 0.66 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 2wc0 h GLN 412 CO -0.72 0.74 0.00 1.49 -2.65 0.00 0.00 178.83 177.69 2wc0 h GLU 413 N 1.15 0.16 -0.88 1.69 4.81 0.89 -0.54 114.58 121.87 2wc0 h GLU 413 Ca 0.33 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 2wc0 h GLU 413 Cb -0.08 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 2wc0 h GLU 413 CO -0.08 0.42 0.57 -0.07 -0.73 0.00 0.00 179.01 179.11 2wc0 h LEU 414 N -0.11 0.87 0.32 1.64 3.38 -0.84 -1.57 115.31 118.99 2wc0 h LEU 414 Ca 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wc0 h LEU 414 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2wc0 h LEU 414 CO 0.00 0.56 -0.19 0.50 0.09 0.00 0.00 178.44 179.41 2wc0 h LYS 415 N 0.99 -0.46 -0.61 1.13 3.64 0.40 -2.37 116.57 119.28 2wc0 h LYS 415 Ca 0.38 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 2wc0 h LYS 415 Cb 0.20 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2wc0 h LYS 415 CO -0.14 -0.31 0.22 -0.44 -2.27 0.00 0.00 179.45 176.52 2wc0 h ASP 416 N -0.48 0.83 -0.11 4.20 3.32 -0.88 -1.01 116.42 122.29 2wc0 h ASP 416 Ca -0.04 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2wc0 h ASP 416 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2wc0 h ASP 416 CO 0.04 0.76 0.07 -0.07 -1.72 0.00 0.00 179.24 178.32 2wc0 h LEU 417 N 0.88 0.13 -0.73 1.55 4.07 -1.26 -2.07 115.31 117.89 2wc0 h LEU 417 Ca 0.21 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.18 2wc0 h LEU 417 Cb 0.20 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.86 2wc0 h LEU 417 CO -0.02 0.11 0.45 0.78 -1.08 0.00 0.00 178.44 178.68 2wc0 h ASN 418 N 0.13 0.71 0.05 -0.43 4.21 -0.94 0.12 115.58 119.43 2wc0 h ASN 418 Ca 0.04 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.58 2wc0 h ASN 418 Cb 0.01 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.04 2wc0 h ASN 418 CO -0.01 0.48 -0.17 0.00 -1.29 0.00 0.00 177.43 176.44 2wc0 h ALA 419 N 1.33 -0.24 -0.56 -0.83 0.00 -0.83 0.10 119.26 118.23 2wc0 h ALA 419 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2wc0 h ALA 419 Cb 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2wc0 h ALA 419 CO -0.14 -0.68 0.30 0.28 0.00 0.00 0.00 179.25 179.02 2wc0 h VAL 420 N -0.30 1.19 -0.31 0.00 2.07 -0.80 0.19 116.25 118.29 2wc0 h VAL 420 Ca 0.04 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.14 2wc0 h VAL 420 Cb 0.35 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 2wc0 h VAL 420 CO -0.13 0.21 -0.28 0.00 0.02 0.00 0.00 177.57 177.38 2wc0 h ALA 421 N 1.13 -0.16 -0.54 1.67 0.00 -0.33 -0.11 119.26 120.93 2wc0 h ALA 421 Ca 0.20 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2wc0 h ALA 421 Cb 0.06 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wc0 h ALA 421 CO -0.03 -0.70 0.15 0.35 0.00 0.00 0.00 179.25 179.02 2wc0 h PHE 422 N -0.26 0.90 -0.29 0.00 3.57 -0.20 0.33 116.94 120.99 2wc0 h PHE 422 Ca 0.15 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2wc0 h PHE 422 Cb 0.50 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2wc0 h PHE 422 CO -0.46 0.77 0.15 -0.09 -2.23 0.00 0.00 178.31 176.45 2wc0 h ARG 423 N 0.76 0.31 -0.73 1.11 2.43 -0.05 -3.06 114.38 115.15 2wc0 h ARG 423 Ca 0.17 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.00 2wc0 h ARG 423 Cb 0.32 -0.07 -0.19 0.00 -0.42 0.00 0.00 29.97 29.60 2wc0 h ARG 423 CO -0.00 0.20 0.34 1.19 -1.51 0.00 0.00 179.97 180.19 2wc0 n PHE 424 N -4.95 2.30 -1.71 2.20 3.01 -0.11 -4.31 117.46 113.89 2wc0 n PHE 424 Ca -0.01 -1.56 -0.39 0.00 1.01 0.00 0.00 57.45 56.50 2wc0 n PHE 424 Cb 0.06 -0.73 0.03 0.00 -0.01 0.00 0.00 39.48 38.83 2wc0 n PHE 424 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2wc0 n LYS 425 N -0.83 1.70 -1.34 -1.08 2.85 0.07 -4.94 118.16 114.59 2wc0 n LYS 425 Ca 0.46 0.62 -0.33 0.00 -1.05 0.00 0.00 58.31 58.01 2wc0 n LYS 425 Cb 1.40 -2.45 0.10 0.00 -0.65 0.00 0.00 35.03 33.43 2wc0 n LYS 425 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wc0 s ASP 426 N -0.79 4.16 0.10 -5.58 1.01 -1.26 -4.97 116.67 109.34 2wc0 s ASP 426 Ca 0.68 2.20 -0.31 0.00 0.71 0.00 0.00 52.55 55.83 2wc0 s ASP 426 Cb -0.45 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 40.83 2wc0 s ASP 426 CO 0.53 -2.28 1.42 -0.75 0.21 0.00 0.00 175.17 174.29 2wc0 s LYS 427 N -4.18 4.30 0.49 8.23 2.20 -1.26 -4.99 119.74 124.54 2wc0 s LYS 427 Ca 0.70 2.10 -0.11 0.00 -0.36 0.00 0.00 55.97 58.30 2wc0 s LYS 427 Cb -0.25 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2wc0 s LYS 427 CO 0.48 -0.48 0.88 -1.21 -0.36 0.00 0.00 175.35 174.67 2wc0 s GLU 428 N 1.31 3.74 0.13 4.03 8.01 -1.26 -4.26 118.70 130.41 2wc0 s GLU 428 Ca 0.65 0.60 -0.30 0.00 0.01 0.00 0.00 54.97 55.93 2wc0 s GLU 428 Cb -0.37 -2.26 -0.07 0.00 -4.31 0.00 0.00 34.13 27.12 2wc0 s GLU 428 CO 0.30 -0.25 1.23 1.03 0.01 0.00 0.00 175.26 177.59 2wc0 s ARG 429 N -4.37 4.44 0.22 1.61 0.52 -1.26 -4.94 118.95 115.17 2wc0 s ARG 429 Ca 0.53 1.88 -0.14 0.00 -0.52 0.00 0.00 55.73 57.47 2wc0 s ARG 429 Cb -0.10 -3.28 0.25 0.00 0.52 0.00 0.00 34.95 32.34 2wc0 s ARG 429 CO 0.39 -0.21 1.60 -1.35 0.02 0.00 0.00 175.30 175.75 2wc0 h PRO 430 N 6.02 -0.04 -0.26 3.54 0.11 -1.96 -2.46 132.00 136.95 2wc0 h PRO 430 Ca -0.43 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.74 2wc0 h PRO 430 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2wc0 h PRO 430 CO 0.79 -0.03 -0.08 -0.09 -0.21 0.00 0.00 178.00 178.38 2wc0 h ARG 431 N -0.04 -0.02 -0.81 1.05 2.43 -1.89 0.16 114.38 115.24 2wc0 h ARG 431 Ca 0.32 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2wc0 h ARG 431 Cb 0.54 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2wc0 h ARG 431 CO -0.75 -0.02 0.36 0.78 -1.51 0.00 0.00 179.97 178.84 2wc0 h GLY 432 N -0.02 1.28 0.73 2.80 0.00 -1.92 -2.35 103.07 103.59 2wc0 h GLY 432 Ca 0.13 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2wc0 h GLY 432 CO -0.28 0.63 -0.02 -1.82 0.00 0.00 0.00 176.54 175.05 2wc0 h TYR 433 N 1.17 -0.05 -0.54 5.60 3.20 -0.97 0.62 116.97 126.01 2wc0 h TYR 433 Ca 0.28 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 2wc0 h TYR 433 Cb 0.17 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2wc0 h TYR 433 CO 0.02 0.22 0.11 1.79 -1.64 0.00 0.00 178.16 178.66 2wc0 h THR 434 N -0.32 1.25 0.08 1.81 1.35 -0.64 -1.12 112.91 115.32 2wc0 h THR 434 Ca -0.01 -0.90 0.02 0.00 -0.55 0.00 0.00 66.41 64.97 2wc0 h THR 434 Cb 0.29 0.81 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 2wc0 h THR 434 CO 0.01 0.33 -0.27 -1.28 -0.25 0.00 0.00 175.52 174.06 2wc0 h SER 435 N 0.76 -0.78 -0.35 5.36 0.87 -1.34 0.24 113.55 118.32 2wc0 h SER 435 Ca 0.17 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2wc0 h SER 435 Cb 0.37 0.30 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 2wc0 h SER 435 CO 0.01 -0.35 -0.03 0.50 -0.53 0.00 0.00 176.83 176.42 2wc0 h LYS 436 N -0.46 0.06 -0.22 2.24 3.64 -0.70 -2.60 116.57 118.53 2wc0 h LYS 436 Ca 0.04 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2wc0 h LYS 436 Cb 0.51 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2wc0 h LYS 436 CO -0.18 0.04 -0.27 0.82 -2.27 0.00 0.00 179.45 177.59 2wc0 h ILE 437 N 0.06 1.27 0.00 2.00 2.04 -0.79 -0.81 117.51 121.29 2wc0 h ILE 437 Ca 0.17 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2wc0 h ILE 437 Cb 0.24 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2wc0 h ILE 437 CO -0.31 0.40 -0.05 0.00 0.00 0.00 0.00 178.15 178.20 2wc0 h ALA 438 N 1.33 1.44 0.01 1.87 0.00 -0.15 -2.10 119.26 121.67 2wc0 h ALA 438 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wc0 h ALA 438 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wc0 h ALA 438 CO 0.05 0.06 -0.00 0.78 0.00 0.00 0.00 179.25 180.14 2wc0 h GLY 439 N 0.33 -0.01 2.00 0.00 0.00 -0.97 -3.33 103.07 101.09 2wc0 h GLY 439 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wc0 h GLY 439 CO 0.01 -0.01 0.00 0.29 0.00 0.00 0.00 176.54 176.83 2wc0 n ILE 440 N -4.67 0.71 0.33 2.60 -5.35 -0.91 -2.86 119.36 109.21 2wc0 n ILE 440 Ca -0.09 -0.02 0.21 0.00 -0.27 0.00 0.00 62.75 62.58 2wc0 n ILE 440 Cb 0.40 -0.89 1.14 0.00 -1.74 0.00 0.00 39.64 38.55 2wc0 n ILE 440 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2wc0 h LEU 441 N 0.00 0.00 0.00 7.28 3.38 -1.49 0.38 115.31 124.85 2wc0 h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wc0 h LEU 441 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2wc0 h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2wc0 n HIS 442 N -3.10 0.00 0.00 1.13 8.25 -1.14 -4.14 115.22 116.22 2wc0 n HIS 442 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2wc0 n HIS 442 Cb 0.13 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2wc0 n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wc0 n TYR 443 N -1.03 0.00 -3.99 4.41 4.02 0.13 -5.07 117.16 115.63 2wc0 n TYR 443 Ca 0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.99 2wc0 n TYR 443 Cb 0.11 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.31 2wc0 n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2wc0 s TYR 444 N -0.94 0.32 0.36 -0.72 2.02 -1.10 -5.12 117.35 112.17 2wc0 s TYR 444 Ca 0.00 -0.44 -0.27 0.00 -0.37 0.00 0.00 57.07 55.98 2wc0 s TYR 444 Cb 0.00 -0.21 -0.12 0.00 -0.40 0.00 0.00 41.96 41.23 2wc0 s TYR 444 CO 0.00 -0.14 1.22 -2.30 -1.57 0.00 0.00 175.55 172.76 2wc0 n PRO 445 N 1.80 1.91 -0.29 -1.71 -0.02 -1.26 -4.76 135.00 130.68 2wc0 n PRO 445 Ca -0.22 0.67 0.27 0.00 -2.02 0.00 0.00 63.50 62.21 2wc0 n PRO 445 Cb 0.56 -2.25 0.50 0.00 -0.02 0.00 0.00 33.50 32.28 2wc0 n PRO 445 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wc0 n LEU 446 N 0.67 0.26 0.19 2.45 4.77 -1.26 -0.57 117.00 123.52 2wc0 n LEU 446 Ca 0.06 1.32 0.12 0.00 -0.03 0.00 0.00 56.01 57.48 2wc0 n LEU 446 Cb 0.37 -0.64 0.21 0.00 -2.33 0.00 0.00 43.42 41.02 2wc0 n LEU 446 CO 0.61 -1.47 0.80 -0.33 -1.33 0.00 0.00 177.39 175.67 2wc0 h GLU 447 N 0.00 0.00 -0.37 3.23 3.07 -1.89 -3.16 114.58 115.47 2wc0 h GLU 447 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 2wc0 h GLU 447 Cb 1.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.84 2wc0 h GLU 447 CO -0.58 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.42 2wc0 n GLU 448 N -2.92 2.40 0.08 2.33 1.02 0.27 -2.19 120.64 121.63 2wc0 n GLU 448 Ca 0.04 -2.20 0.02 0.00 -0.02 0.00 0.00 57.16 55.00 2wc0 n GLU 448 Cb 0.51 -1.47 0.38 0.00 -0.02 0.00 0.00 31.44 30.84 2wc0 n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2wc0 h VAL 449 N 4.10 1.17 0.00 2.62 -1.51 -1.51 -1.91 116.25 119.21 2wc0 h VAL 449 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2wc0 h VAL 449 Cb 0.93 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2wc0 h VAL 449 CO 0.00 0.23 0.00 -0.07 -1.23 0.00 0.00 177.57 176.50 2wc0 h LEU 450 N 0.32 0.00 0.00 4.19 3.38 -1.84 -3.35 115.31 118.02 2wc0 h LEU 450 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wc0 h LEU 450 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wc0 h LEU 450 CO 0.01 0.00 -1.58 0.35 0.09 0.00 0.00 178.44 177.31 2wc0 n THR 451 N -2.79 0.00 0.20 0.22 -2.24 -0.87 -4.59 114.28 104.21 2wc0 n THR 451 Ca 0.03 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.56 2wc0 n THR 451 Cb 0.42 0.21 0.46 0.00 -2.10 0.00 0.00 70.33 69.32 2wc0 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc0 h ALA 452 N 1.20 1.62 0.00 6.98 0.00 -1.50 0.12 119.26 127.68 2wc0 h ALA 452 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wc0 h ALA 452 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wc0 h ALA 452 CO 0.00 0.28 0.00 0.93 0.00 0.00 0.00 179.25 180.46 2wc0 h GLU 453 N 0.04 0.00 0.00 0.00 4.39 -1.81 -3.36 114.58 113.84 2wc0 h GLU 453 Ca 0.01 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2wc0 h GLU 453 Cb 0.38 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 2wc0 h GLU 453 CO 0.03 0.00 -2.22 0.66 -1.16 0.00 0.00 179.01 176.31 2wc0 n TYR 454 N -2.86 0.26 -4.07 4.33 4.01 0.30 -4.93 117.16 114.20 2wc0 n TYR 454 Ca 0.03 0.09 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 2wc0 n TYR 454 Cb 0.40 -1.05 -0.15 0.00 -0.31 0.00 0.00 39.34 38.23 2wc0 n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wc0 s LEU 455 N -5.71 3.37 0.84 7.72 1.43 -0.42 -4.69 118.68 121.22 2wc0 s LEU 455 Ca -0.10 -1.34 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 2wc0 s LEU 455 Cb 0.07 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.84 2wc0 s LEU 455 CO 0.82 -0.18 1.11 -0.76 0.23 0.00 0.00 176.35 177.57 2wc0 s LEU 456 N 1.12 2.88 0.23 1.79 1.43 -1.26 -4.85 118.68 120.02 2wc0 s LEU 456 Ca -0.08 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2wc0 s LEU 456 Cb -0.19 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.53 2wc0 s LEU 456 CO -0.05 -2.56 0.00 1.21 0.23 0.00 0.00 176.35 175.18 2wc0 n GLU 457 N -3.87 0.00 -4.54 1.70 4.07 0.24 -4.99 120.64 113.26 2wc0 n GLU 457 Ca 0.10 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.86 2wc0 n GLU 457 Cb 0.53 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.80 2wc0 n GLU 457 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2wc0 s GLU 458 N -1.76 2.88 -0.01 5.31 2.02 -1.16 -5.02 118.70 120.96 2wc0 s GLU 458 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.19 2wc0 s GLU 458 Cb 0.00 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 2wc0 s GLU 458 CO 0.00 0.65 1.07 0.12 0.02 0.00 0.00 175.26 177.12 2wc0 s PHE 459 N -0.75 3.51 -0.54 1.61 5.36 -1.26 -4.14 117.98 121.76 2wc0 s PHE 459 Ca 0.11 1.51 0.04 0.00 -0.96 0.00 0.00 56.93 57.63 2wc0 s PHE 459 Cb -0.11 -3.25 0.15 0.00 -0.34 0.00 0.00 43.02 39.46 2wc0 s PHE 459 CO 0.02 -0.57 0.34 1.03 -1.46 0.00 0.00 175.22 174.58 2wc0 s ARG 460 N 1.39 1.76 0.60 10.12 1.81 -1.26 -4.94 118.95 128.42 2wc0 s ARG 460 Ca 0.54 -2.58 0.29 0.00 -1.72 0.00 0.00 55.73 52.26 2wc0 s ARG 460 Cb -0.23 -2.77 1.57 0.00 -0.45 0.00 0.00 34.95 33.06 2wc0 s ARG 460 CO 0.26 -1.22 1.97 -1.35 -0.68 0.00 0.00 175.30 174.28 2wc0 h PRO 461 N 6.11 0.00 0.01 3.54 0.11 -2.00 -1.95 132.00 137.83 2wc0 h PRO 461 Ca 0.06 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.96 2wc0 h PRO 461 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2wc0 h PRO 461 CO 0.59 0.00 -0.93 0.38 -0.21 0.00 0.00 178.00 177.83 2wc0 h ASP 462 N 0.00 0.40 -0.24 -2.05 -0.00 -1.99 -1.17 116.42 111.37 2wc0 h ASP 462 Ca 0.14 -0.33 -0.16 0.00 -0.00 0.00 0.00 57.03 56.69 2wc0 h ASP 462 Cb 0.86 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 40.07 2wc0 h ASP 462 CO -0.00 1.13 -0.44 -0.07 -0.00 0.00 0.00 179.24 179.86 2wc0 h LEU 463 N 0.16 0.86 0.10 0.15 3.38 -1.79 0.28 115.31 118.46 2wc0 h LEU 463 Ca -0.07 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2wc0 h LEU 463 Cb 1.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2wc0 h LEU 463 CO 0.15 1.18 -0.17 0.40 0.09 0.00 0.00 178.44 180.10 2wc0 h ILE 464 N 0.64 0.62 -0.65 1.22 2.04 -1.23 -0.85 117.51 119.30 2wc0 h ILE 464 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2wc0 h ILE 464 Cb 1.02 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2wc0 h ILE 464 CO 0.10 0.00 0.24 -0.33 0.00 0.00 0.00 178.15 178.16 2wc0 h GLU 465 N -0.32 0.96 -0.01 2.37 5.08 -1.06 -0.58 114.58 121.02 2wc0 h GLU 465 Ca 0.02 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2wc0 h GLU 465 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2wc0 h GLU 465 CO -0.09 0.80 -0.15 1.98 -1.00 0.00 0.00 179.01 180.55 2wc0 h MET 466 N 0.94 0.02 0.00 2.33 4.05 0.24 -0.43 114.93 122.08 2wc0 h MET 466 Ca 0.22 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2wc0 h MET 466 Cb 0.21 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2wc0 h MET 466 CO -0.02 0.17 -0.00 0.28 0.23 0.00 0.00 176.91 177.57 2wc0 h VAL 467 N 0.02 1.67 -1.00 -5.77 2.07 -0.51 -3.24 116.25 109.48 2wc0 h VAL 467 Ca 0.00 -2.11 0.22 0.00 0.82 0.00 0.00 66.70 65.63 2wc0 h VAL 467 Cb 0.28 3.09 -0.12 0.00 -1.52 0.00 0.00 31.29 33.02 2wc0 h VAL 467 CO 0.02 0.54 0.60 0.25 0.02 0.00 0.00 177.57 179.00 2wc0 h LEU 468 N -0.92 0.73 -1.99 2.57 5.85 -0.95 0.24 115.31 120.84 2wc0 h LEU 468 Ca -0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2wc0 h LEU 468 Cb 0.89 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2wc0 h LEU 468 CO 0.00 0.19 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.48 2wc0 h ASP 469 N 0.67 0.00 0.59 1.25 3.58 -1.13 0.76 116.42 122.15 2wc0 h ASP 469 Ca 0.61 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.97 2wc0 h ASP 469 Cb 1.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2wc0 h ASP 469 CO -0.43 0.03 -0.46 0.11 -2.88 0.00 0.00 179.24 175.61 2wc0 h LYS 470 N 0.00 0.00 -5.51 0.28 1.79 -0.54 -3.40 116.57 109.19 2wc0 h LYS 470 Ca -0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 2wc0 h LYS 470 Cb 0.06 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.64 2wc0 h LYS 470 CO 0.00 0.46 2.26 1.28 -1.08 0.00 0.00 179.45 182.37 2wc0 n LEU 471 N -3.81 5.06 -3.97 2.94 4.77 0.26 -4.72 117.00 117.53 2wc0 n LEU 471 Ca -0.01 -3.87 -0.09 0.00 -0.03 0.00 0.00 56.01 52.00 2wc0 n LEU 471 Cb 0.51 -1.72 -0.11 0.00 -2.33 0.00 0.00 43.42 39.77 2wc0 n LEU 471 CO 0.39 0.12 -0.35 -0.13 -1.33 0.00 0.00 177.39 176.09 2wc0 s ARG 472 N 4.28 0.31 0.25 3.23 0.52 -1.26 -5.03 118.95 121.24 2wc0 s ARG 472 Ca 0.54 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.11 2wc0 s ARG 472 Cb 0.05 0.11 0.47 0.00 0.52 0.00 0.00 34.95 36.11 2wc0 s ARG 472 CO 0.06 -0.05 1.65 -1.35 0.02 0.00 0.00 175.30 175.63 2wc0 h PRO 473 N 4.66 0.16 0.00 3.54 0.11 -1.91 0.59 132.00 139.15 2wc0 h PRO 473 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2wc0 h PRO 473 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2wc0 h PRO 473 CO 0.41 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.46 2wc0 n GLU 474 N -5.27 0.01 -0.58 1.05 0.00 -1.26 -2.40 120.64 112.19 2wc0 n GLU 474 Ca 0.14 0.45 0.04 0.00 0.00 0.00 0.00 57.16 57.79 2wc0 n GLU 474 Cb 0.49 -1.52 0.24 0.00 0.00 0.00 0.00 31.44 30.65 2wc0 n GLU 474 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2wc0 n ASN 475 N -1.54 3.50 -4.58 -1.84 4.05 0.21 -4.51 115.26 110.55 2wc0 n ASN 475 Ca 0.01 -3.25 -0.32 0.00 0.45 0.00 0.00 54.58 51.46 2wc0 n ASN 475 Cb 0.04 -0.58 -0.11 0.00 1.23 0.00 0.00 39.78 40.36 2wc0 n ASN 475 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2wc0 s VAL 476 N -2.97 3.59 0.02 3.44 0.11 -1.01 -4.02 120.40 119.56 2wc0 s VAL 476 Ca 0.44 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 2wc0 s VAL 476 Cb 0.37 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 2wc0 s VAL 476 CO 0.06 0.41 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.88 2wc0 s ARG 477 N -1.37 1.71 -0.05 1.54 0.52 0.05 0.46 118.95 121.82 2wc0 s ARG 477 Ca 0.17 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 2wc0 s ARG 477 Cb -0.11 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.61 2wc0 s ARG 477 CO 0.07 0.47 -0.07 0.08 0.02 0.00 0.00 175.30 175.86 2wc0 s VAL 478 N -0.68 0.75 -0.06 3.52 1.01 -0.18 -1.00 120.40 123.76 2wc0 s VAL 478 Ca 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2wc0 s VAL 478 Cb -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.58 2wc0 s VAL 478 CO 0.01 0.26 -0.13 0.00 0.00 0.00 0.00 175.10 175.24 2wc0 s ALA 479 N 0.71 1.26 -0.14 5.51 0.00 -0.17 -0.67 121.76 128.26 2wc0 s ALA 479 Ca -0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 2wc0 s ALA 479 Cb -0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2wc0 s ALA 479 CO 0.01 0.14 -0.06 0.42 0.00 0.00 0.00 175.76 176.27 2wc0 s ILE 480 N 0.56 3.67 -0.09 0.00 1.01 0.18 -0.71 121.20 125.82 2wc0 s ILE 480 Ca -0.13 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.12 2wc0 s ILE 480 Cb -0.15 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2wc0 s ILE 480 CO 0.03 0.51 -0.22 0.68 0.00 0.00 0.00 174.94 175.94 2wc0 s VAL 481 N 0.20 2.22 -0.20 2.92 -7.23 0.93 -0.60 120.40 118.64 2wc0 s VAL 481 Ca -0.04 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2wc0 s VAL 481 Cb -0.14 -1.85 0.15 0.00 0.56 0.00 0.00 36.38 35.09 2wc0 s VAL 481 CO 0.03 0.56 1.13 -0.55 -0.31 0.00 0.00 175.10 175.96 2wc0 s SER 482 N 0.22 -0.24 0.36 4.85 0.15 -0.25 -2.52 113.70 116.27 2wc0 s SER 482 Ca -0.14 0.24 0.19 0.00 0.70 0.00 0.00 55.95 56.94 2wc0 s SER 482 Cb -0.17 0.20 0.47 0.00 -1.71 0.00 0.00 66.02 64.82 2wc0 s SER 482 CO 0.07 -0.24 1.63 0.11 1.20 0.00 0.00 173.24 176.01 2wc0 h LYS 483 N 2.33 0.00 0.00 5.44 1.57 -1.85 -3.04 116.57 121.03 2wc0 h LYS 483 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2wc0 h LYS 483 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wc0 h LYS 483 CO 0.28 0.35 0.09 -1.13 -0.57 0.00 0.00 179.45 178.46 2wc0 n SER 484 N -3.31 0.00 -0.22 0.86 3.41 -1.26 0.58 113.62 113.68 2wc0 n SER 484 Ca 0.01 0.19 0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2wc0 n SER 484 Cb 0.58 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 2wc0 n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wc0 n PHE 485 N -1.11 0.00 -1.62 7.33 0.99 -1.15 -4.85 117.46 117.05 2wc0 n PHE 485 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.45 56.94 2wc0 n PHE 485 Cb 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.51 2wc0 n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2wc0 n GLU 486 N -0.73 1.38 -1.56 -1.08 4.07 0.20 0.93 120.64 123.84 2wc0 n GLU 486 Ca 0.06 0.50 -0.19 0.00 -0.06 0.00 0.00 57.16 57.47 2wc0 n GLU 486 Cb 0.34 -2.18 -0.08 0.00 -0.06 0.00 0.00 31.44 29.46 2wc0 n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wc0 n GLY 487 N 2.90 1.78 1.07 8.31 0.00 -1.26 -4.89 105.19 113.10 2wc0 n GLY 487 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.14 2wc0 n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wc0 n LYS 488 N -2.46 0.49 -4.29 1.61 5.02 0.27 -5.04 118.16 113.74 2wc0 n LYS 488 Ca -0.19 -2.26 -0.21 0.00 -2.02 0.00 0.00 58.31 53.63 2wc0 n LYS 488 Cb 0.62 -0.56 -0.11 0.00 -0.02 0.00 0.00 35.03 34.95 2wc0 n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wc0 s THR 489 N -1.01 1.63 0.00 -0.18 -4.23 -1.25 -4.90 115.64 105.71 2wc0 s THR 489 Ca 0.31 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2wc0 s THR 489 Cb 0.33 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.48 2wc0 s THR 489 CO -0.11 -0.32 0.31 -0.90 -0.54 0.00 0.00 174.62 173.06 2wc0 n ASP 490 N 0.48 0.38 -4.73 3.99 3.85 -0.83 -4.89 116.55 114.81 2wc0 n ASP 490 Ca -0.15 -1.10 -0.23 0.00 -0.71 0.00 0.00 54.79 52.61 2wc0 n ASP 490 Cb 0.57 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.28 2wc0 n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2wc0 s ARG 491 N -0.10 2.52 -0.10 0.11 3.00 0.30 -5.00 118.95 119.69 2wc0 s ARG 491 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 55.73 54.36 2wc0 s ARG 491 Cb 0.00 -2.30 0.05 0.00 0.00 0.00 0.00 34.95 32.69 2wc0 s ARG 491 CO 0.00 0.31 0.22 0.95 0.00 0.00 0.00 175.30 176.78 2wc0 s THR 492 N -2.29 -0.08 0.33 0.02 -4.23 -1.26 -1.71 115.64 106.42 2wc0 s THR 492 Ca 0.34 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 2wc0 s THR 492 Cb -0.06 -0.35 -0.10 0.00 1.34 0.00 0.00 72.50 73.33 2wc0 s THR 492 CO 0.22 0.07 0.95 -0.70 -0.54 0.00 0.00 174.62 174.62 2wc0 s GLU 493 N 1.38 4.56 -0.01 3.99 -6.30 -0.38 -4.81 118.70 117.14 2wc0 s GLU 493 Ca -0.08 1.33 -0.22 0.00 -2.50 0.00 0.00 54.97 53.51 2wc0 s GLU 493 Cb -0.11 -2.78 -0.20 0.00 0.00 0.00 0.00 34.13 31.04 2wc0 s GLU 493 CO -0.08 0.25 1.15 1.05 0.02 0.00 0.00 175.26 177.66 2wc0 h GLU 494 N 3.12 0.30 0.00 4.30 4.11 -1.95 0.82 114.58 125.27 2wc0 h GLU 494 Ca -0.47 -0.26 -0.04 0.00 0.07 0.00 0.00 59.36 58.67 2wc0 h GLU 494 Cb 1.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2wc0 h GLU 494 CO 0.65 0.91 -0.17 -1.49 0.07 0.00 0.00 179.01 178.98 2wc0 h TRP 495 N -0.23 0.00 0.00 2.06 4.06 -1.98 -3.31 115.95 116.55 2wc0 h TRP 495 Ca -0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 2wc0 h TRP 495 Cb 0.98 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.14 2wc0 h TRP 495 CO 0.14 0.17 -1.09 0.66 -3.56 0.00 0.00 178.44 174.76 2wc0 n TYR 496 N -3.26 0.00 -0.83 0.49 4.02 -1.25 -5.02 117.16 111.32 2wc0 n TYR 496 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2wc0 n TYR 496 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 2wc0 n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wc0 n GLY 497 N 2.42 0.52 3.73 2.72 0.00 0.28 -4.93 105.19 109.93 2wc0 n GLY 497 Ca -0.01 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 2wc0 n GLY 497 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wc0 s THR 498 N -2.00 3.33 0.08 2.61 2.01 -1.21 -4.51 115.64 115.95 2wc0 s THR 498 Ca 0.00 1.04 -0.27 0.00 0.31 0.00 0.00 61.69 62.77 2wc0 s THR 498 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2wc0 s THR 498 CO 0.00 0.13 0.84 -1.10 -0.69 0.00 0.00 174.62 173.80 2wc0 s GLN 499 N 0.34 4.58 0.25 4.92 -1.52 -1.26 -1.24 119.66 125.72 2wc0 s GLN 499 Ca 0.59 1.22 -0.15 0.00 -1.95 0.00 0.00 55.36 55.07 2wc0 s GLN 499 Cb -0.36 -3.36 0.06 0.00 -0.22 0.00 0.00 33.01 29.13 2wc0 s GLN 499 CO 0.35 0.27 0.78 2.48 -0.25 0.00 0.00 175.29 178.92 2wc0 n TYR 500 N 2.73 -1.71 -4.05 0.91 4.11 -0.69 -2.42 117.16 116.04 2wc0 n TYR 500 Ca -0.01 -1.33 -0.07 0.00 -0.00 0.00 0.00 57.90 56.48 2wc0 n TYR 500 Cb 0.50 0.66 -0.10 0.00 -0.00 0.00 0.00 39.34 40.40 2wc0 n TYR 500 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2wc0 s LYS 501 N -2.06 0.66 -0.04 -3.48 2.20 -0.19 -0.54 119.74 116.30 2wc0 s LYS 501 Ca 0.17 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 2wc0 s LYS 501 Cb -0.03 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.55 2wc0 s LYS 501 CO 0.07 -0.14 -0.01 -1.14 -0.36 0.00 0.00 175.35 173.77 2wc0 s GLN 502 N -3.92 0.52 0.21 4.03 0.74 -1.26 -1.70 119.66 118.27 2wc0 s GLN 502 Ca 0.07 0.03 0.07 0.00 0.05 0.00 0.00 55.36 55.59 2wc0 s GLN 502 Cb 0.07 -0.69 -0.05 0.00 1.10 0.00 0.00 33.01 33.45 2wc0 s GLN 502 CO -0.10 -0.15 -0.14 -1.21 -0.55 0.00 0.00 175.29 173.15 2wc0 s GLU 503 N 1.19 1.32 0.20 1.67 2.02 0.08 -4.97 118.70 120.21 2wc0 s GLU 503 Ca -0.07 -1.59 -0.28 0.00 0.02 0.00 0.00 54.97 53.05 2wc0 s GLU 503 Cb -0.14 -1.09 -0.08 0.00 0.10 0.00 0.00 34.13 32.93 2wc0 s GLU 503 CO -0.02 0.17 0.87 0.00 0.02 0.00 0.00 175.26 176.30 2wc0 s ALA 504 N -3.00 3.38 0.10 5.21 0.00 -1.26 -1.25 121.76 124.93 2wc0 s ALA 504 Ca 0.23 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 2wc0 s ALA 504 Cb -0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 2wc0 s ALA 504 CO 0.07 0.22 1.10 0.42 0.00 0.00 0.00 175.76 177.56 2wc0 s ILE 505 N -1.04 4.17 0.44 0.00 1.01 0.10 -4.82 121.20 121.05 2wc0 s ILE 505 Ca 0.39 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.50 2wc0 s ILE 505 Cb -0.24 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 2wc0 s ILE 505 CO 0.29 0.21 1.09 -2.84 0.00 0.00 0.00 174.94 173.68 2wc0 s PRO 506 N 0.39 3.95 0.41 2.79 0.02 -1.26 -4.82 135.00 136.49 2wc0 s PRO 506 Ca 0.53 1.57 0.11 0.00 0.02 0.00 0.00 61.00 63.23 2wc0 s PRO 506 Cb -0.27 -2.41 0.94 0.00 0.02 0.00 0.00 34.50 32.78 2wc0 s PRO 506 CO 0.31 -0.34 1.96 -0.44 -0.33 0.00 0.00 177.00 178.17 2wc0 h ASP 507 N 2.16 0.47 -0.23 2.53 3.32 -1.99 1.51 116.42 124.18 2wc0 h ASP 507 Ca -0.49 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.59 2wc0 h ASP 507 Cb 1.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2wc0 h ASP 507 CO 0.61 0.28 0.16 -0.08 -1.72 0.00 0.00 179.24 178.49 2wc0 h GLU 508 N 0.52 0.23 0.19 3.56 4.22 -1.99 0.15 114.58 121.45 2wc0 h GLU 508 Ca 0.30 -0.01 -0.29 0.00 0.08 0.00 0.00 59.36 59.44 2wc0 h GLU 508 Cb 0.50 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.72 2wc0 h GLU 508 CO -0.10 0.15 -1.36 0.28 -2.18 0.00 0.00 179.01 175.81 2wc0 h VAL 509 N 0.24 1.22 -0.33 0.32 2.07 0.17 -2.47 116.25 117.47 2wc0 h VAL 509 Ca 0.09 -2.56 0.07 0.00 0.82 0.00 0.00 66.70 65.12 2wc0 h VAL 509 Cb 0.08 2.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.74 2wc0 h VAL 509 CO -0.02 0.78 -0.12 0.40 0.02 0.00 0.00 177.57 178.63 2wc0 h ILE 510 N -0.08 0.59 -0.67 4.57 1.08 -0.98 -1.93 117.51 120.09 2wc0 h ILE 510 Ca -0.26 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 2wc0 h ILE 510 Cb 1.94 0.59 -0.05 0.00 -3.07 0.00 0.00 36.82 36.23 2wc0 h ILE 510 CO 0.18 0.00 0.38 0.50 -0.69 0.00 0.00 178.15 178.52 2wc0 h LYS 511 N -0.05 0.68 -0.72 2.37 3.64 -0.75 0.69 116.57 122.44 2wc0 h LYS 511 Ca 0.16 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2wc0 h LYS 511 Cb 0.30 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2wc0 h LYS 511 CO -0.37 0.45 0.22 -0.22 -2.27 0.00 0.00 179.45 177.26 2wc0 h LYS 512 N 0.71 1.12 -0.32 1.90 1.63 -1.13 -1.91 116.57 118.56 2wc0 h LYS 512 Ca 0.30 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 2wc0 h LYS 512 Cb 0.17 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2wc0 h LYS 512 CO -0.17 0.96 0.02 -1.49 -3.45 0.00 0.00 179.45 175.32 2wc0 h TRP 513 N 1.06 0.59 0.00 1.91 6.55 -0.75 -2.69 115.95 122.62 2wc0 h TRP 513 Ca 0.23 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.98 2wc0 h TRP 513 Cb 0.31 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 2wc0 h TRP 513 CO 0.02 0.65 0.10 1.96 -1.05 0.00 0.00 178.44 180.12 2wc0 h GLN 514 N 0.36 0.00 -0.56 0.49 4.20 -0.63 -1.70 115.11 117.27 2wc0 h GLN 514 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2wc0 h GLN 514 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wc0 h GLN 514 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 2wc0 n ASN 515 N -2.68 2.96 -4.65 1.46 3.02 -0.74 -5.00 115.26 109.63 2wc0 n ASN 515 Ca -0.02 -2.22 -0.47 0.00 -0.03 0.00 0.00 54.58 51.84 2wc0 n ASN 515 Cb 0.15 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.85 2wc0 n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wc0 n ALA 516 N 0.64 0.77 -2.34 5.41 0.00 -0.64 -4.96 120.51 119.38 2wc0 n ALA 516 Ca 0.16 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.80 2wc0 n ALA 516 Cb 0.55 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 2wc0 n ALA 516 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wc0 s ASP 517 N 0.66 4.71 0.31 0.00 -1.08 -1.26 -4.84 116.67 115.18 2wc0 s ASP 517 Ca 0.78 -1.16 -0.28 0.00 -0.52 0.00 0.00 52.55 51.37 2wc0 s ASP 517 Cb -0.73 0.30 -0.09 0.00 -1.46 0.00 0.00 42.92 40.94 2wc0 s ASP 517 CO 0.42 -1.08 1.07 -0.76 0.52 0.00 0.00 175.17 175.34 2wc0 s LEU 518 N -4.30 4.43 -0.15 -1.34 1.43 -1.26 -4.67 118.68 112.81 2wc0 s LEU 518 Ca 0.38 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2wc0 s LEU 518 Cb -0.03 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.41 2wc0 s LEU 518 CO 0.24 -0.22 -0.13 0.21 0.23 0.00 0.00 176.35 176.67 2wc0 s ASN 519 N -1.13 2.74 0.00 2.29 3.84 -1.26 -5.00 114.94 116.42 2wc0 s ASN 519 Ca 0.48 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 53.03 2wc0 s ASN 519 Cb -0.28 -1.16 0.00 0.00 -0.55 0.00 0.00 41.25 39.26 2wc0 s ASN 519 CO 0.36 -0.07 0.66 0.61 -2.79 0.00 0.00 177.10 175.87 2wc0 n GLY 520 N 4.77 -0.21 0.09 1.21 0.00 -1.26 -0.41 105.19 109.38 2wc0 n GLY 520 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2wc0 n GLY 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wc0 n LYS 521 N -1.16 0.27 -3.62 1.61 4.76 -1.26 -4.73 118.16 114.03 2wc0 n LYS 521 Ca 0.00 0.16 -0.40 0.00 -2.87 0.00 0.00 58.31 55.21 2wc0 n LYS 521 Cb 0.05 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 2wc0 n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wc0 s PHE 522 N -3.13 3.21 0.31 2.13 2.99 0.45 -4.51 117.98 119.43 2wc0 s PHE 522 Ca 0.09 -0.75 0.09 0.00 0.00 0.00 0.00 56.93 56.36 2wc0 s PHE 522 Cb 0.13 -2.40 -0.04 0.00 0.00 0.00 0.00 43.02 40.70 2wc0 s PHE 522 CO 0.65 -0.55 0.06 0.15 -0.00 0.00 0.00 175.22 175.54 2wc0 s LYS 523 N 1.59 2.31 0.62 0.44 3.01 -0.97 -4.89 119.74 121.85 2wc0 s LYS 523 Ca 0.03 -1.51 -0.11 0.00 -1.01 0.00 0.00 55.97 53.37 2wc0 s LYS 523 Cb -0.18 -2.14 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 2wc0 s LYS 523 CO 0.07 0.22 1.03 -0.51 0.51 0.00 0.00 175.35 176.67 2wc0 s LEU 524 N -3.76 3.25 0.82 3.17 1.02 -1.26 -4.44 118.68 117.49 2wc0 s LEU 524 Ca 0.35 1.46 -0.11 0.00 0.02 0.00 0.00 54.13 55.84 2wc0 s LEU 524 Cb -0.04 -4.48 0.09 0.00 0.02 0.00 0.00 46.19 41.79 2wc0 s LEU 524 CO 0.21 -0.91 1.13 -2.84 0.02 0.00 0.00 176.35 173.96 2wc0 s PRO 525 N -5.07 1.72 0.61 1.29 0.02 -1.26 -4.93 135.00 127.37 2wc0 s PRO 525 Ca 0.56 1.42 0.02 0.00 0.02 0.00 0.00 61.00 63.02 2wc0 s PRO 525 Cb -0.11 -1.82 0.07 0.00 0.02 0.00 0.00 34.50 32.66 2wc0 s PRO 525 CO 0.52 -2.09 0.84 0.95 -0.33 0.00 0.00 177.00 176.90 2wc0 s THR 526 N -2.65 2.43 0.53 0.99 -4.23 -1.26 -5.03 115.64 106.42 2wc0 s THR 526 Ca 0.66 -0.70 -0.22 0.00 -1.18 0.00 0.00 61.69 60.25 2wc0 s THR 526 Cb -0.21 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 2wc0 s THR 526 CO 0.55 0.00 1.20 1.17 -0.54 0.00 0.00 174.62 176.99 2wc0 n LYS 527 N -2.48 1.46 -2.84 3.99 3.00 -1.26 -4.86 118.16 115.17 2wc0 n LYS 527 Ca 0.11 0.54 -0.43 0.00 -0.00 0.00 0.00 58.31 58.53 2wc0 n LYS 527 Cb 0.60 -2.37 -0.04 0.00 0.00 0.00 0.00 35.03 33.22 2wc0 n LYS 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2wc0 s ASN 528 N -0.93 6.49 0.00 3.14 3.84 -1.26 -4.87 114.94 121.35 2wc0 s ASN 528 Ca 0.70 0.11 0.17 0.00 0.21 0.00 0.00 52.86 54.05 2wc0 s ASN 528 Cb -0.45 -2.44 0.78 0.00 -0.55 0.00 0.00 41.25 38.59 2wc0 s ASN 528 CO 0.51 -1.02 1.51 -0.62 -2.79 0.00 0.00 177.10 174.69 2wc0 n GLU 529 N 7.08 0.12 -0.01 0.43 -0.58 -1.26 -3.35 120.64 123.08 2wc0 n GLU 529 Ca 0.06 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 57.10 2wc0 n GLU 529 Cb 0.48 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 30.16 2wc0 n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2wc0 n PHE 530 N -1.39 0.02 -1.67 -0.32 3.01 -1.26 -4.89 117.46 110.95 2wc0 n PHE 530 Ca 0.06 -0.01 -0.51 0.00 1.01 0.00 0.00 57.45 58.00 2wc0 n PHE 530 Cb 0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 2wc0 n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wc0 n ILE 531 N 0.79 0.31 -2.50 4.37 5.41 -1.21 -4.84 119.36 121.69 2wc0 n ILE 531 Ca 0.17 -0.06 -0.37 0.00 1.00 0.00 0.00 62.75 63.49 2wc0 n ILE 531 Cb 0.48 -1.46 -0.04 0.00 -0.71 0.00 0.00 39.64 37.92 2wc0 n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wc0 s PRO 532 N 2.82 4.13 -0.04 0.38 0.04 -1.26 -4.97 135.00 136.10 2wc0 s PRO 532 Ca 0.91 1.57 0.24 0.00 0.04 0.00 0.00 61.00 63.75 2wc0 s PRO 532 Cb -0.85 -2.56 0.43 0.00 0.04 0.00 0.00 34.50 31.57 2wc0 s PRO 532 CO 0.53 -0.18 1.18 0.25 0.04 0.00 0.00 177.00 178.81 2wc0 n THR 533 N -0.06 0.37 -3.28 1.26 -2.24 -1.26 -5.00 114.28 104.07 2wc0 n THR 533 Ca 0.05 -1.40 -0.06 0.00 -2.27 0.00 0.00 64.05 60.37 2wc0 n THR 533 Cb 0.49 0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 2wc0 n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wc0 s ASN 534 N -2.24 -0.14 -0.13 3.42 3.04 -1.26 -4.98 114.94 112.64 2wc0 s ASN 534 Ca 0.34 0.10 0.17 0.00 0.04 0.00 0.00 52.86 53.51 2wc0 s ASN 534 Cb 0.39 1.37 0.30 0.00 -1.54 0.00 0.00 41.25 41.76 2wc0 s ASN 534 CO -0.15 -0.31 1.15 0.49 -3.04 0.00 0.00 177.10 175.24 2wc0 n PHE 535 N 5.38 0.00 -1.68 0.43 3.01 -1.26 -4.50 117.46 118.84 2wc0 n PHE 535 Ca -0.01 -1.02 -0.43 0.00 1.01 0.00 0.00 57.45 57.01 2wc0 n PHE 535 Cb 0.50 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 2wc0 n PHE 535 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2wc0 n GLU 536 N -1.27 2.80 -2.78 -1.08 2.13 -1.26 -4.68 120.64 114.50 2wc0 n GLU 536 Ca 0.15 1.02 -0.43 0.00 0.66 0.00 0.00 57.16 58.57 2wc0 n GLU 536 Cb 0.66 -2.94 -0.03 0.00 0.27 0.00 0.00 31.44 29.40 2wc0 n GLU 536 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2wc0 s ILE 537 N 3.50 4.56 0.38 6.31 -1.09 -1.26 -4.92 121.20 128.69 2wc0 s ILE 537 Ca 0.85 1.28 -0.27 0.00 -2.23 0.00 0.00 60.65 60.28 2wc0 s ILE 537 Cb -0.47 -4.35 -0.10 0.00 -1.58 0.00 0.00 42.46 35.96 2wc0 s ILE 537 CO 0.40 -0.54 1.35 -0.76 -1.23 0.00 0.00 174.94 174.16 2wc0 s LEU 538 N 3.53 4.28 0.39 2.97 1.43 -1.26 -4.96 118.68 125.06 2wc0 s LEU 538 Ca 0.39 2.77 -0.26 0.00 -1.03 0.00 0.00 54.13 56.00 2wc0 s LEU 538 Cb -0.12 -3.79 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 2wc0 s LEU 538 CO 0.19 -0.80 1.24 -2.16 0.23 0.00 0.00 176.35 175.05 2wc0 s PRO 539 N -2.11 4.09 0.19 1.29 0.04 -1.26 -4.92 135.00 132.31 2wc0 s PRO 539 Ca 0.54 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.29 2wc0 s PRO 539 Cb -0.41 -2.79 -0.15 0.00 0.04 0.00 0.00 34.50 31.19 2wc0 s PRO 539 CO 0.54 -0.35 1.22 -0.11 0.04 0.00 0.00 177.00 178.33 2wc0 n LEU 540 N 0.26 1.88 -4.81 -3.56 7.94 -1.26 -4.97 117.00 112.48 2wc0 n LEU 540 Ca 0.03 1.14 -0.36 0.00 -1.11 0.00 0.00 56.01 55.71 2wc0 n LEU 540 Cb 0.44 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.07 2wc0 n LEU 540 CO 0.54 -1.12 0.51 -1.61 -1.11 0.00 0.00 177.39 174.61 2wc0 s GLU 541 N -0.38 4.34 0.26 1.96 2.02 -1.26 -5.00 118.70 120.64 2wc0 s GLU 541 Ca 0.72 1.02 -0.01 0.00 0.02 0.00 0.00 54.97 56.72 2wc0 s GLU 541 Cb -0.81 -2.76 0.57 0.00 0.10 0.00 0.00 34.13 31.23 2wc0 s GLU 541 CO 0.52 0.30 1.70 1.57 0.02 0.00 0.00 175.26 179.37 2wc0 h LYS 542 N 3.12 0.36 -1.00 1.61 2.10 -2.06 -1.36 116.57 119.34 2wc0 h LYS 542 Ca -0.48 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2wc0 h LYS 542 Cb 1.19 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2wc0 h LYS 542 CO 0.65 0.24 0.00 -0.85 -2.00 0.00 0.00 179.45 177.49 2wc0 n GLU 543 N -5.07 1.01 -3.32 0.07 0.28 -1.26 -4.95 120.64 107.39 2wc0 n GLU 543 Ca 0.17 -0.01 -0.38 0.00 -0.16 0.00 0.00 57.16 56.78 2wc0 n GLU 543 Cb 0.52 -1.09 -0.06 0.00 1.43 0.00 0.00 31.44 32.25 2wc0 n GLU 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wc0 s ALA 544 N -0.17 3.55 0.08 -1.84 0.00 -0.51 -5.07 121.76 117.79 2wc0 s ALA 544 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2wc0 s ALA 544 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2wc0 s ALA 544 CO 0.00 0.24 0.01 0.95 0.00 0.00 0.00 175.76 176.96 2wc0 s THR 545 N -0.35 4.11 0.21 0.00 -4.23 -1.26 -5.03 115.64 109.08 2wc0 s THR 545 Ca 0.27 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.80 2wc0 s THR 545 Cb -0.17 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.82 2wc0 s THR 545 CO 0.15 0.15 1.71 -0.65 -0.54 0.00 0.00 174.62 175.43 2wc0 h PRO 546 N 3.50 1.08 -5.89 3.99 0.11 -1.97 -3.44 132.00 129.38 2wc0 h PRO 546 Ca -0.48 -0.28 -0.57 0.00 0.11 0.00 0.00 66.00 64.78 2wc0 h PRO 546 Cb 1.17 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 2wc0 h PRO 546 CO 0.61 0.98 -0.42 0.71 -0.21 0.00 0.00 178.00 179.67 2wc0 s TYR 547 N -5.20 2.26 0.48 0.65 2.02 -1.26 -5.03 117.35 111.26 2wc0 s TYR 547 Ca -0.12 -0.68 -0.23 0.00 -0.37 0.00 0.00 57.07 55.67 2wc0 s TYR 547 Cb 0.15 -1.95 -0.07 0.00 -0.40 0.00 0.00 41.96 39.69 2wc0 s TYR 547 CO 0.85 -0.06 1.24 -2.14 -1.57 0.00 0.00 175.55 173.87 2wc0 s PRO 548 N -4.05 3.59 0.08 -1.71 0.02 -1.26 -4.85 135.00 126.81 2wc0 s PRO 548 Ca 0.37 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.43 2wc0 s PRO 548 Cb 0.01 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 2wc0 s PRO 548 CO 0.21 -0.75 -0.14 0.00 -0.33 0.00 0.00 177.00 175.99 2wc0 s ALA 549 N -1.43 2.78 -1.17 -1.55 0.00 -0.17 -4.81 121.76 115.41 2wc0 s ALA 549 Ca 0.65 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 2wc0 s ALA 549 Cb -0.33 -0.80 0.10 0.00 0.00 0.00 0.00 23.12 22.08 2wc0 s ALA 549 CO 0.40 0.61 1.53 -1.17 0.00 0.00 0.00 175.76 177.13 2wc0 s LEU 550 N -1.90 4.20 0.00 0.00 2.96 -1.26 -0.42 118.68 122.26 2wc0 s LEU 550 Ca 0.18 -2.31 0.29 0.00 -0.22 0.00 0.00 54.13 52.07 2wc0 s LEU 550 Cb -0.11 -2.51 1.25 0.00 0.50 0.00 0.00 46.19 45.32 2wc0 s LEU 550 CO 0.10 -1.13 1.86 2.30 -1.32 0.00 0.00 176.35 178.16 2wc0 n ILE 551 N 5.97 0.00 -3.62 6.68 -5.35 -0.44 -4.82 119.36 117.78 2wc0 n ILE 551 Ca 0.39 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.59 2wc0 n ILE 551 Cb 0.47 0.19 -0.07 0.00 -1.74 0.00 0.00 39.64 38.49 2wc0 n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2wc0 s LYS 552 N -2.09 0.75 -0.41 6.28 2.20 -1.18 -4.96 119.74 120.33 2wc0 s LYS 552 Ca 0.38 0.81 0.09 0.00 -0.36 0.00 0.00 55.97 56.89 2wc0 s LYS 552 Cb 0.21 0.36 0.35 0.00 -1.51 0.00 0.00 37.83 37.24 2wc0 s LYS 552 CO 0.37 -0.11 1.00 -3.47 -0.36 0.00 0.00 175.35 172.78 2wc0 n ASP 553 N 2.37 -0.96 -3.45 1.43 4.64 -1.23 0.07 116.55 119.42 2wc0 n ASP 553 Ca -0.14 -3.28 -0.15 0.00 -1.38 0.00 0.00 54.79 49.85 2wc0 n ASP 553 Cb 0.55 0.80 0.08 0.00 -1.04 0.00 0.00 41.12 41.52 2wc0 n ASP 553 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2wc0 n THR 554 N 0.21 0.00 0.05 5.18 -2.24 -0.29 -4.95 114.28 112.24 2wc0 n THR 554 Ca 0.12 -0.87 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 2wc0 n THR 554 Cb 0.71 -1.22 0.01 0.00 -2.10 0.00 0.00 70.33 67.73 2wc0 n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc0 h ALA 555 N -0.83 0.55 0.00 6.98 0.00 -2.00 -3.05 119.26 120.90 2wc0 h ALA 555 Ca -0.21 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 53.92 2wc0 h ALA 555 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2wc0 h ALA 555 CO 0.21 0.77 -0.75 1.98 0.00 0.00 0.00 179.25 181.46 2wc0 h MET 556 N 0.28 0.00 -2.08 0.00 1.85 -1.92 -3.40 114.93 109.66 2wc0 h MET 556 Ca -0.04 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 2wc0 h MET 556 Cb 1.35 0.00 -0.21 0.00 0.43 0.00 0.00 31.60 33.16 2wc0 h MET 556 CO 0.13 0.75 0.08 -1.54 -0.40 0.00 0.00 176.91 175.93 2wc0 s SER 557 N -6.64 -0.73 -0.21 1.39 1.04 -1.15 -1.57 113.70 105.82 2wc0 s SER 557 Ca 0.01 1.39 -0.04 0.00 0.48 0.00 0.00 55.95 57.79 2wc0 s SER 557 Cb 0.10 1.39 -0.01 0.00 0.10 0.00 0.00 66.02 67.60 2wc0 s SER 557 CO 0.78 -0.24 -0.03 -0.75 0.98 0.00 0.00 173.24 173.98 2wc0 s LYS 558 N 0.49 3.44 -0.26 4.02 2.20 -0.03 -1.14 119.74 128.46 2wc0 s LYS 558 Ca -0.01 -0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 55.00 2wc0 s LYS 558 Cb -0.05 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2wc0 s LYS 558 CO -0.01 -0.14 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.60 2wc0 s LEU 559 N 1.34 3.30 0.06 5.43 2.96 0.11 -1.76 118.68 130.12 2wc0 s LEU 559 Ca 0.04 -1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 52.78 2wc0 s LEU 559 Cb -0.14 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 2wc0 s LEU 559 CO -0.01 -0.16 0.40 0.26 -1.32 0.00 0.00 176.35 175.51 2wc0 s TRP 560 N 1.25 3.61 -0.09 5.38 0.52 0.77 -1.32 118.94 129.07 2wc0 s TRP 560 Ca -0.03 0.83 -0.08 0.00 0.02 0.00 0.00 56.10 56.84 2wc0 s TRP 560 Cb -0.18 -2.18 0.02 0.00 -1.15 0.00 0.00 33.47 29.98 2wc0 s TRP 560 CO -0.05 0.55 0.23 0.12 0.02 0.00 0.00 176.95 177.82 2wc0 s PHE 561 N -1.32 -0.25 -0.22 -1.98 5.36 0.44 -1.76 117.98 118.24 2wc0 s PHE 561 Ca 0.31 0.61 -0.08 0.00 -0.96 0.00 0.00 56.93 56.81 2wc0 s PHE 561 Cb -0.14 0.09 0.09 0.00 -0.34 0.00 0.00 43.02 42.72 2wc0 s PHE 561 CO 0.17 -0.12 0.47 0.21 -1.46 0.00 0.00 175.22 174.48 2wc0 s LYS 562 N 0.11 0.39 0.07 10.12 2.20 -0.73 -1.00 119.74 130.89 2wc0 s LYS 562 Ca -0.00 1.09 -0.31 0.00 -0.36 0.00 0.00 55.97 56.40 2wc0 s LYS 562 Cb -0.02 0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 36.62 2wc0 s LYS 562 CO 0.00 -0.23 1.48 -1.14 -0.36 0.00 0.00 175.35 175.10 2wc0 s GLN 563 N 2.52 4.27 0.18 4.03 0.74 -1.26 -2.31 119.66 127.82 2wc0 s GLN 563 Ca -0.03 2.13 -0.33 0.00 0.05 0.00 0.00 55.36 57.17 2wc0 s GLN 563 Cb -0.11 -3.45 -0.14 0.00 1.10 0.00 0.00 33.01 30.40 2wc0 s GLN 563 CO -0.14 -0.58 1.44 -3.47 -0.55 0.00 0.00 175.29 171.99 2wc0 n ASP 564 N 4.89 2.57 -0.14 6.67 2.03 0.52 -4.84 116.55 128.24 2wc0 n ASP 564 Ca 0.13 1.11 0.05 0.00 0.52 0.00 0.00 54.79 56.61 2wc0 n ASP 564 Cb 0.42 -1.37 0.07 0.00 -0.72 0.00 0.00 41.12 39.52 2wc0 n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wc0 n ASP 565 N 2.71 1.57 0.00 1.67 5.75 -1.26 -4.80 116.55 122.19 2wc0 n ASP 565 Ca 0.15 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 2wc0 n ASP 565 Cb 0.28 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2wc0 n ASP 565 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wc0 n LYS 566 N -0.82 0.34 -0.06 0.11 5.02 -1.26 -4.95 118.16 116.54 2wc0 n LYS 566 Ca 0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 2wc0 n LYS 566 Cb 0.56 -0.99 -0.08 0.00 -0.02 0.00 0.00 35.03 34.50 2wc0 n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2wc0 n PHE 567 N -2.44 0.00 -3.51 2.13 3.01 -1.26 -5.02 117.46 110.37 2wc0 n PHE 567 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 2wc0 n PHE 567 Cb 0.49 -0.55 0.06 0.00 -0.01 0.00 0.00 39.48 39.47 2wc0 n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2wc0 n PHE 568 N -2.50 -2.53 -4.01 1.38 3.01 -1.26 -5.01 117.46 106.54 2wc0 n PHE 568 Ca -0.19 0.86 -0.24 0.00 1.01 0.00 0.00 57.45 58.89 2wc0 n PHE 568 Cb 0.85 -4.64 -0.03 0.00 -0.01 0.00 0.00 39.48 35.64 2wc0 n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wc0 s LEU 569 N -7.13 4.13 -1.33 4.37 1.43 -1.26 -4.97 118.68 113.92 2wc0 s LEU 569 Ca 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 2wc0 s LEU 569 Cb -0.24 -2.69 0.13 0.00 0.03 0.00 0.00 46.19 43.42 2wc0 s LEU 569 CO 0.65 -0.00 1.96 -0.81 0.23 0.00 0.00 176.35 178.39 2wc0 n PRO 570 N -0.90 3.38 -3.81 1.29 -0.04 -1.26 -4.62 135.00 129.05 2wc0 n PRO 570 Ca -0.08 -3.26 -0.12 0.00 -0.04 0.00 0.00 63.50 60.00 2wc0 n PRO 570 Cb 0.56 -3.05 -0.09 0.00 -0.04 0.00 0.00 33.50 30.89 2wc0 n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wc0 s LYS 571 N 1.31 0.66 0.02 0.54 1.02 -1.26 -2.11 119.74 119.93 2wc0 s LYS 571 Ca 0.42 -0.41 -0.08 0.00 0.02 0.00 0.00 55.97 55.92 2wc0 s LYS 571 Cb 0.10 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 2wc0 s LYS 571 CO -0.02 -0.19 0.17 0.00 -0.92 0.00 0.00 175.35 174.39 2wc0 s ALA 572 N -1.87 -0.32 -0.18 5.17 0.00 0.43 -2.20 121.76 122.79 2wc0 s ALA 572 Ca -0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 2wc0 s ALA 572 Cb -0.04 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2wc0 s ALA 572 CO 0.00 -0.30 -0.00 -0.80 0.00 0.00 0.00 175.76 174.67 2wc0 s ASN 573 N -1.81 5.02 -0.26 0.00 0.01 0.16 -2.41 114.94 115.65 2wc0 s ASN 573 Ca -0.09 -0.10 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 2wc0 s ASN 573 Cb -0.04 -1.84 0.06 0.00 0.41 0.00 0.00 41.25 39.84 2wc0 s ASN 573 CO -0.02 0.14 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.85 2wc0 s LEU 574 N 0.56 3.37 -0.04 0.60 1.43 0.01 -0.74 118.68 123.87 2wc0 s LEU 574 Ca -0.01 -1.38 0.07 0.00 -1.03 0.00 0.00 54.13 51.78 2wc0 s LEU 574 Cb -0.14 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2wc0 s LEU 574 CO 0.02 -0.19 -0.24 0.20 0.23 0.00 0.00 176.35 176.37 2wc0 s ASN 575 N 1.13 3.20 -0.06 2.29 -0.87 0.16 -1.94 114.94 118.83 2wc0 s ASN 575 Ca -0.09 -0.45 -0.03 0.00 -1.57 0.00 0.00 52.86 50.73 2wc0 s ASN 575 Cb -0.20 -0.62 0.04 0.00 -0.02 0.00 0.00 41.25 40.45 2wc0 s ASN 575 CO -0.05 0.29 0.13 -0.36 -2.57 0.00 0.00 177.10 174.54 2wc0 s PHE 576 N -0.43 -0.13 -0.23 2.20 0.40 -0.44 -0.12 117.98 119.23 2wc0 s PHE 576 Ca 0.05 0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 56.71 2wc0 s PHE 576 Cb -0.12 -0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.17 2wc0 s PHE 576 CO 0.01 -0.20 0.27 -2.00 0.70 0.00 0.00 175.22 174.00 2wc0 s GLU 577 N 1.63 4.10 -0.32 0.44 2.56 0.15 -1.74 118.70 125.51 2wc0 s GLU 577 Ca -0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 54.97 54.78 2wc0 s GLU 577 Cb -0.12 -3.55 0.02 0.00 2.00 0.00 0.00 34.13 32.47 2wc0 s GLU 577 CO -0.05 -0.02 0.12 -0.06 -0.56 0.00 0.00 175.26 174.69 2wc0 s PHE 578 N 1.27 3.19 0.17 5.30 0.40 -0.09 -1.04 117.98 127.19 2wc0 s PHE 578 Ca 0.12 -1.02 -0.27 0.00 -0.60 0.00 0.00 56.93 55.16 2wc0 s PHE 578 Cb -0.14 -2.31 -0.08 0.00 0.51 0.00 0.00 43.02 41.00 2wc0 s PHE 578 CO 0.06 -0.61 0.83 -0.06 0.70 0.00 0.00 175.22 176.15 2wc0 s PHE 579 N 1.50 3.91 -0.11 0.36 0.40 0.03 -2.11 117.98 121.97 2wc0 s PHE 579 Ca 0.02 1.71 -0.13 0.00 -0.60 0.00 0.00 56.93 57.92 2wc0 s PHE 579 Cb -0.18 -2.84 0.03 0.00 0.51 0.00 0.00 43.02 40.54 2wc0 s PHE 579 CO 0.04 0.47 0.35 0.45 0.70 0.00 0.00 175.22 177.23 2wc0 s SER 580 N -1.03 -0.34 0.57 1.36 0.15 -0.64 -3.08 113.70 110.69 2wc0 s SER 580 Ca 0.38 0.59 0.37 0.00 0.70 0.00 0.00 55.95 57.99 2wc0 s SER 580 Cb -0.24 0.65 1.70 0.00 -1.71 0.00 0.00 66.02 66.42 2wc0 s SER 580 CO 0.28 -0.19 2.09 1.55 1.20 0.00 0.00 173.24 178.17 2wc0 h PRO 581 N 5.21 0.00 0.00 5.44 0.13 -1.88 -3.00 132.00 137.90 2wc0 h PRO 581 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2wc0 h PRO 581 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wc0 h PRO 581 CO 0.31 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.27 2wc0 n PHE 582 N -3.03 0.00 0.06 1.56 3.01 -1.26 -2.34 117.46 115.46 2wc0 n PHE 582 Ca -0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.23 2wc0 n PHE 582 Cb 0.22 -0.42 -0.15 0.00 -0.01 0.00 0.00 39.48 39.12 2wc0 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wc0 h ALA 583 N 2.86 0.03 -0.19 4.37 0.00 -1.82 -3.37 119.26 121.15 2wc0 h ALA 583 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2wc0 h ALA 583 Cb 0.32 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wc0 h ALA 583 CO 0.00 0.73 0.00 0.98 0.00 0.00 0.00 179.25 180.96 2wc0 n TYR 584 N -3.85 0.28 -0.06 0.00 -0.00 -1.24 -3.25 117.16 109.03 2wc0 n TYR 584 Ca -0.21 -0.53 0.25 0.00 -0.00 0.00 0.00 57.90 57.41 2wc0 n TYR 584 Cb 0.97 -0.05 0.71 0.00 -0.00 0.00 0.00 39.34 40.96 2wc0 n TYR 584 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 2wc0 h VAL 585 N 1.13 0.38 -1.32 2.97 3.04 -1.63 -3.44 116.25 117.39 2wc0 h VAL 585 Ca 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.90 2wc0 h VAL 585 Cb 0.68 0.52 -0.23 0.00 -2.01 0.00 0.00 31.29 30.25 2wc0 h VAL 585 CO 0.01 0.00 0.81 1.51 -1.01 0.00 0.00 177.57 178.89 2wc0 s ASP 586 N -5.15 -0.15 0.29 3.17 -4.77 -1.26 -5.00 116.67 103.80 2wc0 s ASP 586 Ca -0.04 0.11 0.01 0.00 -3.30 0.00 0.00 52.55 49.32 2wc0 s ASP 586 Cb 0.18 0.13 0.69 0.00 -1.09 0.00 0.00 42.92 42.83 2wc0 s ASP 586 CO 0.63 -0.17 1.51 -2.65 0.70 0.00 0.00 175.17 175.18 2wc0 n PRO 587 N 0.36 -0.08 -0.26 2.11 -0.02 -1.26 -0.01 135.00 135.85 2wc0 n PRO 587 Ca -0.02 1.45 -0.05 0.00 -2.02 0.00 0.00 63.50 62.86 2wc0 n PRO 587 Cb 0.58 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 2wc0 n PRO 587 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wc0 h LEU 588 N 0.00 0.83 -0.83 2.45 5.85 -1.92 0.34 115.31 122.03 2wc0 h LEU 588 Ca 0.57 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.26 2wc0 h LEU 588 Cb 1.13 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2wc0 h LEU 588 CO -0.92 0.60 0.00 0.45 -0.34 0.00 0.00 178.44 178.24 2wc0 h HIS 589 N 0.97 0.00 -0.00 1.25 3.86 -0.73 -0.82 115.15 119.68 2wc0 h HIS 589 Ca 0.26 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2wc0 h HIS 589 Cb -0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2wc0 h HIS 589 CO -0.02 0.00 -0.00 1.03 0.86 0.00 0.00 177.93 179.80 2wc0 h SER 590 N 0.00 0.00 -0.70 2.45 0.87 -0.18 -1.73 113.55 114.27 2wc0 h SER 590 Ca 0.00 -0.53 0.15 0.00 -1.23 0.00 0.00 61.79 60.18 2wc0 h SER 590 Cb 0.71 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 2wc0 h SER 590 CO 0.00 0.53 0.47 0.78 -0.53 0.00 0.00 176.83 178.08 2wc0 h ASN 591 N -0.53 0.29 0.25 6.23 2.35 -0.54 -1.97 115.58 121.67 2wc0 h ASN 591 Ca 0.00 0.02 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 2wc0 h ASN 591 Cb 0.53 -0.04 0.03 0.00 0.05 0.00 0.00 38.32 38.89 2wc0 h ASN 591 CO 0.00 0.15 -1.57 0.24 -1.65 0.00 0.00 177.43 174.60 2wc0 h MET 592 N 0.31 0.49 -0.85 0.81 2.86 -1.04 -1.74 114.93 115.78 2wc0 h MET 592 Ca 0.34 -0.84 0.07 0.00 -2.06 0.00 0.00 59.70 57.21 2wc0 h MET 592 Cb 0.88 0.31 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 2wc0 h MET 592 CO -0.09 1.40 0.56 0.00 1.06 0.00 0.00 176.91 179.84 2wc0 h ALA 593 N 0.15 1.58 -0.01 6.32 0.00 -0.71 -1.32 119.26 125.27 2wc0 h ALA 593 Ca -0.28 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2wc0 h ALA 593 Cb 2.15 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.71 2wc0 h ALA 593 CO 0.24 0.29 -0.63 -0.92 0.00 0.00 0.00 179.25 178.23 2wc0 h TYR 594 N 0.94 0.66 -0.57 0.00 3.20 -1.17 -2.70 116.97 117.34 2wc0 h TYR 594 Ca 0.37 -0.35 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2wc0 h TYR 594 Cb 0.24 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2wc0 h TYR 594 CO -0.00 1.17 0.16 -0.07 -1.64 0.00 0.00 178.16 177.77 2wc0 h LEU 595 N -0.03 0.84 -0.19 2.82 4.07 -1.10 -1.44 115.31 120.29 2wc0 h LEU 595 Ca -0.07 -0.22 0.03 0.00 0.08 0.00 0.00 57.88 57.70 2wc0 h LEU 595 Cb 1.33 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 2wc0 h LEU 595 CO 0.12 0.84 -0.01 0.22 -1.08 0.00 0.00 178.44 178.53 2wc0 h TYR 596 N 0.80 -0.03 -0.33 1.13 3.20 -1.25 -0.30 116.97 120.19 2wc0 h TYR 596 Ca 0.18 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2wc0 h TYR 596 Cb 0.31 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2wc0 h TYR 596 CO 0.02 -0.04 0.22 -0.07 -1.64 0.00 0.00 178.16 176.65 2wc0 h LEU 597 N 0.05 0.30 0.11 2.82 4.07 -1.00 0.02 115.31 121.67 2wc0 h LEU 597 Ca 0.09 -0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.78 2wc0 h LEU 597 Cb 0.12 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.79 2wc0 h LEU 597 CO -0.16 0.21 -1.22 -0.33 -1.08 0.00 0.00 178.44 175.86 2wc0 h GLU 598 N 0.35 0.27 0.03 1.13 4.39 -0.66 -2.34 114.58 117.74 2wc0 h GLU 598 Ca 0.13 -0.44 -0.23 0.00 0.34 0.00 0.00 59.36 59.17 2wc0 h GLU 598 Cb 0.10 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2wc0 h GLU 598 CO -0.03 1.21 -0.99 -0.07 -1.16 0.00 0.00 179.01 177.97 2wc0 h LEU 599 N 0.08 0.40 0.03 1.33 3.38 -0.20 0.42 115.31 120.74 2wc0 h LEU 599 Ca -0.13 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2wc0 h LEU 599 Cb 1.94 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2wc0 h LEU 599 CO 0.20 1.18 -0.10 0.25 0.09 0.00 0.00 178.44 180.06 2wc0 h LEU 600 N 0.15 -0.28 -0.87 1.67 6.46 -1.02 -0.97 115.31 120.45 2wc0 h LEU 600 Ca -0.08 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 2wc0 h LEU 600 Cb 1.65 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.66 2wc0 h LEU 600 CO 0.16 -0.15 0.34 0.11 -0.62 0.00 0.00 178.44 178.28 2wc0 h LYS 601 N -0.19 1.17 -0.70 1.25 1.57 -1.01 0.07 116.57 118.72 2wc0 h LYS 601 Ca 0.03 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2wc0 h LYS 601 Cb 0.22 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2wc0 h LYS 601 CO -0.08 0.93 0.40 0.22 -0.57 0.00 0.00 179.45 180.35 2wc0 h ASP 602 N 1.15 0.62 1.51 0.86 1.82 0.10 -1.06 116.42 121.42 2wc0 h ASP 602 Ca 0.27 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.84 2wc0 h ASP 602 Cb 0.18 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 2wc0 h ASP 602 CO -0.03 0.40 -0.50 0.77 -1.61 0.00 0.00 179.24 178.28 2wc0 h SER 603 N 0.75 0.00 0.95 2.28 4.64 -0.06 -2.98 113.55 119.13 2wc0 h SER 603 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2wc0 h SER 603 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2wc0 h SER 603 CO -0.17 0.42 -0.10 0.18 -0.87 0.00 0.00 176.83 176.29 2wc0 n LEU 604 N -3.17 0.17 -0.12 5.97 4.77 -0.10 -4.43 117.00 120.08 2wc0 n LEU 604 Ca 0.01 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2wc0 n LEU 604 Cb 0.71 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2wc0 n LEU 604 CO 0.40 0.01 0.95 -1.13 -1.33 0.00 0.00 177.39 176.28 2wc0 h ASN 605 N 0.00 0.15 -0.09 -1.43 -0.73 -1.03 0.11 115.58 112.56 2wc0 h ASN 605 Ca 0.00 0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.23 2wc0 h ASN 605 Cb 0.52 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.14 2wc0 h ASN 605 CO 0.00 0.12 0.06 -0.33 -0.37 0.00 0.00 177.43 176.92 2wc0 h GLU 606 N 0.30 0.03 0.21 6.67 5.08 -1.77 -1.33 114.58 123.77 2wc0 h GLU 606 Ca 0.19 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.22 2wc0 h GLU 606 Cb 0.17 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.44 2wc0 h GLU 606 CO -0.19 0.02 -1.49 -0.92 -1.00 0.00 0.00 179.01 175.43 2wc0 h TYR 607 N 0.03 0.81 -0.00 4.33 3.20 -1.45 -3.35 116.97 120.55 2wc0 h TYR 607 Ca 0.04 -0.59 0.00 0.00 3.14 0.00 0.00 58.73 61.32 2wc0 h TYR 607 Cb 0.12 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2wc0 h TYR 607 CO -0.00 1.52 -0.08 0.00 -1.64 0.00 0.00 178.16 177.96 2wc0 n ALA 608 N -2.70 2.57 -0.09 1.82 0.00 0.26 -3.80 120.51 118.56 2wc0 n ALA 608 Ca -0.17 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2wc0 n ALA 608 Cb 1.08 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 2wc0 n ALA 608 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2wc0 h TYR 609 N 0.07 0.48 -0.73 0.00 3.20 -1.40 -0.58 116.97 118.00 2wc0 h TYR 609 Ca 0.00 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2wc0 h TYR 609 Cb 0.43 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2wc0 h TYR 609 CO 0.00 0.55 0.45 0.00 -1.64 0.00 0.00 178.16 177.52 2wc0 h ALA 610 N 0.88 0.93 -0.70 1.82 0.00 -1.79 -0.19 119.26 120.20 2wc0 h ALA 610 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2wc0 h ALA 610 Cb 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2wc0 h ALA 610 CO 0.00 0.39 0.28 0.00 0.00 0.00 0.00 179.25 179.92 2wc0 h ALA 611 N 1.24 1.18 -0.14 0.00 0.00 -1.62 -1.52 119.26 118.39 2wc0 h ALA 611 Ca 0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2wc0 h ALA 611 Cb -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2wc0 h ALA 611 CO -0.05 0.60 -0.31 1.49 0.00 0.00 0.00 179.25 180.98 2wc0 h GLU 612 N 1.01 0.46 -1.31 0.00 4.81 0.05 -0.18 114.58 119.43 2wc0 h GLU 612 Ca 0.23 -0.31 0.40 0.00 -0.13 0.00 0.00 59.36 59.56 2wc0 h GLU 612 Cb 0.19 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 2wc0 h GLU 612 CO -0.02 0.91 0.86 -0.07 -0.73 0.00 0.00 179.01 179.97 2wc0 h LEU 613 N 0.08 0.24 -3.19 1.64 3.38 -0.75 0.81 115.31 117.52 2wc0 h LEU 613 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wc0 h LEU 613 Cb 0.90 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2wc0 h LEU 613 CO 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2wc0 n ALA 614 N -2.57 3.66 -1.26 1.53 0.00 -0.23 -4.87 120.51 116.78 2wc0 n ALA 614 Ca 0.34 -1.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.12 2wc0 n ALA 614 Cb 1.35 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 2wc0 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wc0 n GLY 615 N 0.58 0.53 3.12 0.00 0.00 0.28 -4.65 105.19 105.04 2wc0 n GLY 615 Ca 0.24 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2wc0 n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wc0 s LEU 616 N -0.64 3.74 0.19 0.99 0.20 -0.34 -2.65 118.68 120.17 2wc0 s LEU 616 Ca 0.00 -1.38 0.09 0.00 0.69 0.00 0.00 54.13 53.53 2wc0 s LEU 616 Cb 0.00 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 2wc0 s LEU 616 CO 0.00 -0.24 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.28 2wc0 s SER 617 N 1.18 4.19 0.04 3.68 0.01 0.16 -2.91 113.70 120.05 2wc0 s SER 617 Ca -0.06 -0.61 -0.00 0.00 1.31 0.00 0.00 55.95 56.58 2wc0 s SER 617 Cb -0.20 -0.68 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 2wc0 s SER 617 CO -0.03 0.10 -0.03 -0.72 0.41 0.00 0.00 173.24 172.96 2wc0 s TYR 618 N -1.75 0.43 -0.08 2.43 -0.85 -1.26 0.52 117.35 116.80 2wc0 s TYR 618 Ca 0.25 -0.80 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 2wc0 s TYR 618 Cb -0.09 -0.31 0.01 0.00 0.38 0.00 0.00 41.96 41.96 2wc0 s TYR 618 CO 0.15 -0.27 -0.13 0.34 -1.52 0.00 0.00 175.55 174.12 2wc0 s ASP 619 N -2.23 2.01 -0.20 -0.18 2.15 0.04 -4.98 116.67 113.27 2wc0 s ASP 619 Ca -0.04 -0.33 -0.03 0.00 0.43 0.00 0.00 52.55 52.58 2wc0 s ASP 619 Cb -0.01 -0.90 0.06 0.00 -0.30 0.00 0.00 42.92 41.77 2wc0 s ASP 619 CO -0.05 0.01 0.04 -0.22 -0.17 0.00 0.00 175.17 174.79 2wc0 s LEU 620 N 0.85 1.20 0.04 -1.34 2.96 -1.26 -0.55 118.68 120.58 2wc0 s LEU 620 Ca -0.11 -0.88 0.03 0.00 -0.22 0.00 0.00 54.13 52.96 2wc0 s LEU 620 Cb -0.15 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 2wc0 s LEU 620 CO 0.01 -0.32 -0.10 0.00 -1.32 0.00 0.00 176.35 174.63 2wc0 s GLN 621 N 1.86 0.64 0.26 1.98 -2.07 -0.01 -4.96 119.66 117.35 2wc0 s GLN 621 Ca 0.00 -0.72 -0.30 0.00 -1.82 0.00 0.00 55.36 52.52 2wc0 s GLN 621 Cb -0.17 -0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 31.14 2wc0 s GLN 621 CO -0.10 0.11 1.29 0.54 -1.32 0.00 0.00 175.29 175.82 2wc0 s ASN 622 N -1.35 6.88 0.45 12.60 6.03 -1.26 0.07 114.94 138.36 2wc0 s ASN 622 Ca -0.05 2.50 0.06 0.00 -1.03 0.00 0.00 52.86 54.35 2wc0 s ASN 622 Cb -0.09 -2.63 -0.02 0.00 -3.03 0.00 0.00 41.25 35.49 2wc0 s ASN 622 CO 0.01 -0.50 0.26 0.42 -2.03 0.00 0.00 177.10 175.26 2wc0 s THR 623 N -0.47 2.12 -0.34 0.54 -4.23 0.16 -4.85 115.64 108.57 2wc0 s THR 623 Ca 0.53 -1.61 0.25 0.00 -1.18 0.00 0.00 61.69 59.68 2wc0 s THR 623 Cb -0.37 -2.73 0.26 0.00 1.34 0.00 0.00 72.50 71.00 2wc0 s THR 623 CO 0.44 0.00 1.74 0.16 -0.54 0.00 0.00 174.62 176.42 2wc0 h ILE 624 N 1.18 0.00 -0.53 2.99 3.07 -1.96 -2.59 117.51 119.67 2wc0 h ILE 624 Ca -0.41 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.79 2wc0 h ILE 624 Cb 1.27 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 2wc0 h ILE 624 CO 0.65 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.53 2wc0 n TYR 625 N -2.34 0.70 0.00 0.16 4.02 -1.26 -4.26 117.16 114.18 2wc0 n TYR 625 Ca 0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 2wc0 n TYR 625 Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2wc0 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wc0 n GLY 626 N 1.24 0.92 3.30 2.72 0.00 -0.98 -1.62 105.19 110.77 2wc0 n GLY 626 Ca 0.19 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 2wc0 n GLY 626 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wc0 s MET 627 N 0.00 0.64 -0.08 1.61 0.23 -0.90 -0.66 119.30 120.15 2wc0 s MET 627 Ca 0.00 0.16 0.02 0.00 -1.03 0.00 0.00 55.69 54.84 2wc0 s MET 627 Cb 0.00 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2wc0 s MET 627 CO 0.00 -0.15 -0.11 -0.47 -2.03 0.00 0.00 175.02 172.26 2wc0 s TYR 628 N -0.71 2.82 -0.04 3.16 5.04 0.11 -0.91 117.35 126.82 2wc0 s TYR 628 Ca -0.08 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 2wc0 s TYR 628 Cb -0.04 -1.72 0.02 0.00 0.35 0.00 0.00 41.96 40.58 2wc0 s TYR 628 CO 0.04 0.15 -0.06 -1.17 -1.34 0.00 0.00 175.55 173.17 2wc0 s LEU 629 N -0.50 1.42 -0.01 6.97 0.20 -0.71 -0.83 118.68 125.23 2wc0 s LEU 629 Ca 0.07 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.76 2wc0 s LEU 629 Cb -0.12 -0.48 -0.00 0.00 -0.43 0.00 0.00 46.19 45.15 2wc0 s LEU 629 CO 0.02 -0.03 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.05 2wc0 s SER 630 N 0.80 0.69 -0.23 3.68 1.04 0.28 -1.33 113.70 118.63 2wc0 s SER 630 Ca -0.11 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 2wc0 s SER 630 Cb -0.14 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 2wc0 s SER 630 CO 0.01 0.06 -0.01 -0.69 0.98 0.00 0.00 173.24 173.59 2wc0 s VAL 631 N -0.03 3.62 -0.01 5.02 1.01 -0.82 -0.78 120.40 128.41 2wc0 s VAL 631 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2wc0 s VAL 631 Cb -0.04 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2wc0 s VAL 631 CO -0.00 0.37 -0.24 -0.54 0.00 0.00 0.00 175.10 174.69 2wc0 s LYS 632 N 1.51 2.12 0.00 2.72 1.02 0.18 -0.81 119.74 126.48 2wc0 s LYS 632 Ca 0.06 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2wc0 s LYS 632 Cb -0.15 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2wc0 s LYS 632 CO -0.01 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 2wc0 n GLY 633 N 2.29 0.73 3.74 -3.33 0.00 -1.01 0.36 105.19 107.96 2wc0 n GLY 633 Ca -0.16 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2wc0 n GLY 633 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wc0 s TYR 634 N -3.68 2.95 0.20 1.61 2.02 -1.09 -0.43 117.35 118.94 2wc0 s TYR 634 Ca 0.00 0.90 0.05 0.00 -0.37 0.00 0.00 57.07 57.66 2wc0 s TYR 634 Cb 0.00 -3.90 0.12 0.00 -0.40 0.00 0.00 41.96 37.78 2wc0 s TYR 634 CO 0.00 -3.03 1.47 -2.95 -1.57 0.00 0.00 175.55 169.47 2wc0 h ASN 635 N 5.22 0.17 -0.97 2.29 -1.07 -1.72 -3.37 115.58 116.14 2wc0 h ASN 635 Ca -0.46 -0.12 0.15 0.00 0.07 0.00 0.00 56.30 55.94 2wc0 h ASN 635 Cb 1.22 -0.05 -0.15 0.00 -2.07 0.00 0.00 38.32 37.26 2wc0 h ASN 635 CO 0.80 0.86 -0.39 -0.67 0.07 0.00 0.00 177.43 178.11 2wc0 n ASP 636 N -3.71 -0.65 -1.24 6.14 4.64 -1.26 -1.41 116.55 119.06 2wc0 n ASP 636 Ca -0.02 1.69 0.10 0.00 -1.38 0.00 0.00 54.79 55.18 2wc0 n ASP 636 Cb 0.73 -0.38 0.29 0.00 -1.04 0.00 0.00 41.12 40.72 2wc0 n ASP 636 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2wc0 n LYS 637 N -5.41 2.88 -0.12 -0.67 5.02 -1.26 -4.63 118.16 113.96 2wc0 n LYS 637 Ca 0.09 -2.58 -0.05 0.00 -2.02 0.00 0.00 58.31 53.76 2wc0 n LYS 637 Cb 0.38 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 2wc0 n LYS 637 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2wc0 h GLN 638 N 3.80 -0.09 -0.64 1.97 4.20 -1.39 -1.70 115.11 121.26 2wc0 h GLN 638 Ca 0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2wc0 h GLN 638 Cb 1.00 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.72 2wc0 h GLN 638 CO 0.03 -0.06 0.22 -1.35 -0.67 0.00 0.00 178.83 176.99 2wc0 h PRO 639 N -0.10 0.36 -0.26 1.46 0.11 -1.82 -1.36 132.00 130.39 2wc0 h PRO 639 Ca 0.20 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.32 2wc0 h PRO 639 Cb 0.40 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2wc0 h PRO 639 CO -0.47 0.24 0.06 0.82 -0.21 0.00 0.00 178.00 178.44 2wc0 h ILE 640 N 0.37 0.88 -0.28 4.15 1.08 -1.65 -0.09 117.51 121.97 2wc0 h ILE 640 Ca 0.33 -0.06 -0.14 0.00 -0.39 0.00 0.00 64.86 64.61 2wc0 h ILE 640 Cb 0.46 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2wc0 h ILE 640 CO -0.36 0.03 -0.36 0.25 -0.69 0.00 0.00 178.15 177.02 2wc0 h LEU 641 N 0.16 0.81 -0.09 1.44 5.85 -1.19 -1.27 115.31 121.02 2wc0 h LEU 641 Ca 0.12 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.38 2wc0 h LEU 641 Cb 0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2wc0 h LEU 641 CO -0.15 1.14 -0.15 0.25 -0.34 0.00 0.00 178.44 179.19 2wc0 h LEU 642 N 0.49 -0.45 -1.09 2.25 6.46 -1.04 -0.30 115.31 121.62 2wc0 h LEU 642 Ca 0.03 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 2wc0 h LEU 642 Cb 0.95 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 41.05 2wc0 h LEU 642 CO 0.09 -0.20 0.46 0.50 -0.62 0.00 0.00 178.44 178.67 2wc0 h LYS 643 N -0.20 1.09 -0.57 1.25 3.64 -0.69 0.23 116.57 121.31 2wc0 h LYS 643 Ca 0.08 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2wc0 h LYS 643 Cb 0.31 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2wc0 h LYS 643 CO -0.21 0.78 0.04 -0.22 -2.27 0.00 0.00 179.45 177.57 2wc0 h LYS 644 N 1.10 0.99 0.36 1.90 1.63 -0.72 -0.35 116.57 121.48 2wc0 h LYS 644 Ca 0.28 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2wc0 h LYS 644 Cb -0.02 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2wc0 h LYS 644 CO -0.05 0.96 -0.17 0.82 -3.45 0.00 0.00 179.45 177.56 2wc0 h ILE 645 N 0.88 0.64 -0.99 2.00 2.04 0.12 0.76 117.51 122.96 2wc0 h ILE 645 Ca 0.17 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.73 2wc0 h ILE 645 Cb 0.49 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 2wc0 h ILE 645 CO 0.02 0.08 0.63 0.40 0.00 0.00 0.00 178.15 179.28 2wc0 h ILE 646 N -0.71 0.97 -0.24 -0.67 1.08 -1.32 0.31 117.51 116.92 2wc0 h ILE 646 Ca -0.05 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2wc0 h ILE 646 Cb 0.50 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 2wc0 h ILE 646 CO 0.08 0.19 0.03 -0.08 -0.69 0.00 0.00 178.15 177.68 2wc0 h GLU 647 N 1.03 0.41 -0.66 2.37 4.81 -0.72 -2.24 114.58 119.58 2wc0 h GLU 647 Ca 0.47 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2wc0 h GLU 647 Cb 0.40 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2wc0 h GLU 647 CO -0.23 0.56 0.31 -0.22 -0.73 0.00 0.00 179.01 178.70 2wc0 h LYS 648 N 0.20 0.94 -0.28 1.92 1.63 -0.19 -2.72 116.57 118.08 2wc0 h LYS 648 Ca 0.07 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2wc0 h LYS 648 Cb 0.35 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2wc0 h LYS 648 CO 0.01 0.73 0.16 0.52 -3.45 0.00 0.00 179.45 177.42 2wc0 h MET 649 N 0.93 0.33 0.00 1.90 2.86 -0.07 -1.88 114.93 119.00 2wc0 h MET 649 Ca 0.23 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2wc0 h MET 649 Cb 0.10 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2wc0 h MET 649 CO -0.03 0.22 0.00 0.00 1.06 0.00 0.00 176.91 178.16 2wc0 n ALA 650 N -2.20 2.68 -1.71 6.32 0.00 -0.87 -3.66 120.51 121.07 2wc0 n ALA 650 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2wc0 n ALA 650 Cb 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2wc0 n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wc0 n THR 651 N -0.99 0.00 -1.68 0.00 -2.24 -1.14 -4.51 114.28 103.72 2wc0 n THR 651 Ca 0.23 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.56 2wc0 n THR 651 Cb 0.11 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 2wc0 n THR 651 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2wc0 n PHE 652 N 0.00 2.41 -3.91 4.78 7.35 -0.72 -4.99 117.46 122.38 2wc0 n PHE 652 Ca 0.00 -0.03 -0.35 0.00 -0.76 0.00 0.00 57.45 56.31 2wc0 n PHE 652 Cb 0.56 -2.67 -0.14 0.00 0.35 0.00 0.00 39.48 37.58 2wc0 n PHE 652 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 2wc0 s GLU 653 N 3.14 3.09 0.29 -4.13 -1.05 -1.26 -5.09 118.70 113.69 2wc0 s GLU 653 Ca 0.87 -0.82 -0.29 0.00 -0.15 0.00 0.00 54.97 54.58 2wc0 s GLU 653 Cb -0.61 -3.05 -0.10 0.00 -0.44 0.00 0.00 34.13 29.93 2wc0 s GLU 653 CO 0.44 -0.32 1.32 0.42 0.95 0.00 0.00 175.26 178.06 2wc0 s ILE 654 N 1.41 2.84 -0.11 1.83 1.01 -1.26 -5.02 121.20 121.90 2wc0 s ILE 654 Ca 0.03 0.79 -0.18 0.00 0.00 0.00 0.00 60.65 61.29 2wc0 s ILE 654 Cb -0.16 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2wc0 s ILE 654 CO -0.03 0.17 0.47 -0.62 0.00 0.00 0.00 174.94 174.93 2wc0 s ASP 655 N -0.23 6.69 0.29 3.58 2.15 -1.26 -4.96 116.67 122.92 2wc0 s ASP 655 Ca 0.52 0.82 0.00 0.00 0.43 0.00 0.00 52.55 54.32 2wc0 s ASP 655 Cb -0.39 -2.28 0.51 0.00 -0.30 0.00 0.00 42.92 40.45 2wc0 s ASP 655 CO 0.48 0.02 1.88 -0.08 -0.17 0.00 0.00 175.17 177.30 2wc0 h GLU 656 N 6.61 1.03 -0.04 4.34 4.81 -2.00 -0.70 114.58 128.64 2wc0 h GLU 656 Ca -0.42 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 2wc0 h GLU 656 Cb 1.18 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 2wc0 h GLU 656 CO 0.75 0.68 -0.06 0.87 -0.73 0.00 0.00 179.01 180.52 2wc0 h LYS 657 N 1.06 0.10 -0.86 1.92 1.57 -2.00 -1.97 116.57 116.39 2wc0 h LYS 657 Ca 0.43 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.29 2wc0 h LYS 657 Cb 0.28 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.45 2wc0 h LYS 657 CO -0.18 0.63 -0.37 0.00 -0.57 0.00 0.00 179.45 178.96 2wc0 h ARG 658 N -0.41 -0.05 0.03 3.15 2.47 -1.89 -0.68 114.38 117.00 2wc0 h ARG 658 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2wc0 h ARG 658 Cb 0.62 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 2wc0 h ARG 658 CO 0.01 -0.04 -0.23 0.35 0.56 0.00 0.00 179.97 180.63 2wc0 h PHE 659 N -0.05 -0.61 -0.75 3.04 3.57 -0.94 -1.82 116.94 119.37 2wc0 h PHE 659 Ca 0.31 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.89 2wc0 h PHE 659 Cb 0.58 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2wc0 h PHE 659 CO -0.79 -0.32 0.49 0.93 -2.23 0.00 0.00 178.31 176.39 2wc0 h GLU 660 N -0.38 0.78 -0.10 1.11 4.39 -0.49 -1.58 114.58 118.31 2wc0 h GLU 660 Ca 0.05 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 2wc0 h GLU 660 Cb 0.44 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2wc0 h GLU 660 CO -0.19 0.52 -0.28 0.82 -1.16 0.00 0.00 179.01 178.72 2wc0 h ILE 661 N 0.81 1.39 -0.46 3.13 2.04 -0.58 -1.04 117.51 122.81 2wc0 h ILE 661 Ca 0.32 -1.60 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 2wc0 h ILE 661 Cb 0.23 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2wc0 h ILE 661 CO -0.11 0.47 -0.13 0.40 0.00 0.00 0.00 178.15 178.78 2wc0 h ILE 662 N -0.06 1.26 -0.45 -0.67 2.04 -1.28 -0.83 117.51 117.51 2wc0 h ILE 662 Ca -0.01 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 2wc0 h ILE 662 Cb 0.89 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2wc0 h ILE 662 CO 0.06 0.42 -0.07 0.50 0.00 0.00 0.00 178.15 179.06 2wc0 h LYS 663 N 0.77 0.85 -0.11 2.37 3.64 -1.05 0.37 116.57 123.40 2wc0 h LYS 663 Ca 0.12 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 2wc0 h LYS 663 Cb 0.64 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2wc0 h LYS 663 CO 0.04 0.94 -0.35 1.49 -2.27 0.00 0.00 179.45 179.31 2wc0 h GLU 664 N 0.68 0.22 -0.15 1.90 4.22 -0.85 -2.09 114.58 118.52 2wc0 h GLU 664 Ca 0.12 -0.09 -0.20 0.00 0.08 0.00 0.00 59.36 59.26 2wc0 h GLU 664 Cb 0.61 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wc0 h GLU 664 CO 0.04 0.55 -0.72 0.00 -2.18 0.00 0.00 179.01 176.70 2wc0 h ALA 665 N 1.45 0.45 -0.59 2.92 0.00 -0.35 -2.78 119.26 120.36 2wc0 h ALA 665 Ca 0.02 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2wc0 h ALA 665 Cb 0.71 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2wc0 h ALA 665 CO 0.05 0.71 0.39 -0.92 0.00 0.00 0.00 179.25 179.48 2wc0 h TYR 666 N 0.47 0.63 0.25 0.00 3.20 -0.70 -1.91 116.97 118.91 2wc0 h TYR 666 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2wc0 h TYR 666 Cb 1.32 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2wc0 h TYR 666 CO 0.07 0.36 -0.12 1.98 -1.64 0.00 0.00 178.16 178.81 2wc0 h MET 667 N 0.64 -0.32 -0.87 1.82 4.05 -1.29 -1.04 114.93 117.92 2wc0 h MET 667 Ca 0.25 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.79 2wc0 h MET 667 Cb 0.16 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.96 2wc0 h MET 667 CO -0.07 0.02 0.51 0.00 0.23 0.00 0.00 176.91 177.60 2wc0 h ARG 668 N -0.71 0.82 0.14 0.39 3.08 -1.43 -1.59 114.38 115.07 2wc0 h ARG 668 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2wc0 h ARG 668 Cb 0.49 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wc0 h ARG 668 CO 0.06 0.54 -0.07 1.03 -1.07 0.00 0.00 179.97 180.46 2wc0 h SER 669 N 0.84 -0.16 -0.18 7.04 0.87 -1.22 0.45 113.55 121.19 2wc0 h SER 669 Ca 0.42 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 61.03 2wc0 h SER 669 Cb 0.39 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2wc0 h SER 669 CO -0.25 -0.11 -0.10 -0.07 -0.53 0.00 0.00 176.83 175.77 2wc0 h LEU 670 N -0.19 -0.32 -1.96 2.23 3.38 -0.88 -2.13 115.31 115.44 2wc0 h LEU 670 Ca -0.02 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2wc0 h LEU 670 Cb 0.14 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2wc0 h LEU 670 CO 0.03 -0.13 -0.05 0.78 0.09 0.00 0.00 178.44 179.16 2wc0 h ASN 671 N -0.08 0.00 0.51 -0.43 2.35 -0.91 -2.56 115.58 114.46 2wc0 h ASN 671 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2wc0 h ASN 671 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2wc0 h ASN 671 CO -0.24 0.05 0.00 0.59 -1.65 0.00 0.00 177.43 176.19 2wc0 n ASN 672 N -4.36 0.34 0.33 5.81 5.03 0.15 -1.73 115.26 120.84 2wc0 n ASN 672 Ca -0.03 0.60 0.23 0.00 0.87 0.00 0.00 54.58 56.24 2wc0 n ASN 672 Cb 0.14 -0.66 1.20 0.00 -1.02 0.00 0.00 39.78 39.43 2wc0 n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2wc0 h PHE 673 N 0.00 0.00 0.00 3.10 3.57 -1.34 -0.73 116.94 121.54 2wc0 h PHE 673 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2wc0 h PHE 673 Cb 0.26 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wc0 h PHE 673 CO 0.00 0.00 -0.15 0.07 -2.23 0.00 0.00 178.31 176.00 2wc0 h ARG 674 N 0.00 0.00 -0.01 1.11 0.11 -1.58 -2.00 114.38 112.01 2wc0 h ARG 674 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wc0 h ARG 674 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 2wc0 h ARG 674 CO 0.00 0.15 -0.21 0.00 0.10 0.00 0.00 179.97 180.01 2wc0 n ALA 675 N -2.26 2.98 -0.57 0.08 0.00 -0.28 -4.46 120.51 116.00 2wc0 n ALA 675 Ca -0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 2wc0 n ALA 675 Cb 0.29 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 18.84 2wc0 n ALA 675 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wc0 n GLU 676 N -0.31 -2.20 -3.16 0.00 -0.58 -0.75 -4.92 120.64 108.72 2wc0 n GLU 676 Ca 0.14 -0.63 -0.33 0.00 -0.42 0.00 0.00 57.16 55.91 2wc0 n GLU 676 Cb 0.37 -1.73 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 2wc0 n GLU 676 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2wc0 s GLN 677 N -3.71 4.05 0.36 3.49 2.00 -1.26 -4.82 119.66 119.76 2wc0 s GLN 677 Ca 0.55 0.68 0.13 0.00 -2.00 0.00 0.00 55.36 54.72 2wc0 s GLN 677 Cb -0.12 -2.57 0.97 0.00 0.80 0.00 0.00 33.01 32.09 2wc0 s GLN 677 CO 0.59 0.24 1.76 -1.35 -0.50 0.00 0.00 175.29 176.02 2wc0 h PRO 678 N 2.59 0.51 0.00 1.67 0.11 -1.91 0.18 132.00 135.16 2wc0 h PRO 678 Ca -0.48 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 2wc0 h PRO 678 Cb 1.18 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2wc0 h PRO 678 CO 0.66 0.34 -0.84 1.12 -0.21 0.00 0.00 178.00 179.06 2wc0 h HIS 679 N 0.52 0.09 -0.32 0.65 2.07 -1.88 0.36 115.15 116.64 2wc0 h HIS 679 Ca 0.60 -0.05 -0.04 0.00 -2.85 0.00 0.00 60.37 58.03 2wc0 h HIS 679 Cb 1.29 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.25 2wc0 h HIS 679 CO -0.00 0.87 0.03 1.96 -3.07 0.00 0.00 177.93 177.72 2wc0 h GLN 680 N 0.03 0.55 -0.34 5.12 4.20 -1.08 -1.67 115.11 121.91 2wc0 h GLN 680 Ca -0.02 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.60 2wc0 h GLN 680 Cb 1.48 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 29.13 2wc0 h GLN 680 CO 0.12 0.65 -0.08 0.45 -0.67 0.00 0.00 178.83 179.29 2wc0 h HIS 681 N 0.36 -0.18 -0.64 2.96 3.86 -1.01 -1.84 115.15 118.66 2wc0 h HIS 681 Ca 0.10 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.47 2wc0 h HIS 681 Cb 0.38 0.13 -0.10 0.00 1.06 0.00 0.00 27.41 28.89 2wc0 h HIS 681 CO 0.03 -0.15 0.09 0.00 0.86 0.00 0.00 177.93 178.76 2wc0 h ALA 682 N 1.34 0.72 -0.49 2.45 0.00 -0.54 -1.38 119.26 121.36 2wc0 h ALA 682 Ca 0.17 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2wc0 h ALA 682 Cb 0.25 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2wc0 h ALA 682 CO -0.35 -0.35 0.13 0.52 0.00 0.00 0.00 179.25 179.20 2wc0 h MET 683 N 0.21 0.74 -0.08 0.00 2.86 -0.69 -2.40 114.93 115.55 2wc0 h MET 683 Ca 0.34 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2wc0 h MET 683 Cb 0.54 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2wc0 h MET 683 CO -0.47 0.66 -0.04 -0.92 1.06 0.00 0.00 176.91 177.20 2wc0 h TYR 684 N 0.72 0.20 -0.34 -0.22 3.20 -0.48 -1.96 116.97 118.09 2wc0 h TYR 684 Ca 0.16 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2wc0 h TYR 684 Cb 0.25 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2wc0 h TYR 684 CO 0.01 0.54 0.05 1.88 -1.64 0.00 0.00 178.16 179.01 2wc0 h TYR 685 N -0.20 0.08 -0.99 -3.82 0.05 -1.30 -1.78 116.97 109.01 2wc0 h TYR 685 Ca 0.02 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.94 2wc0 h TYR 685 Cb 0.49 0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.16 2wc0 h TYR 685 CO 0.07 -0.00 0.63 1.25 -1.05 0.00 0.00 178.16 179.06 2wc0 h LEU 686 N 0.16 0.92 -0.50 3.88 5.85 -1.26 0.34 115.31 124.71 2wc0 h LEU 686 Ca 0.16 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 2wc0 h LEU 686 Cb 0.19 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2wc0 h LEU 686 CO -0.23 0.50 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.15 2wc0 h ARG 687 N 0.99 0.96 -0.58 1.25 2.43 -0.80 0.15 114.38 118.79 2wc0 h ARG 687 Ca 0.49 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2wc0 h ARG 687 Cb 0.47 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2wc0 h ARG 687 CO -0.25 1.04 0.09 -0.07 -1.51 0.00 0.00 179.97 179.27 2wc0 h LEU 688 N 0.82 0.88 -0.33 3.80 3.38 -0.26 -2.19 115.31 121.40 2wc0 h LEU 688 Ca 0.12 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2wc0 h LEU 688 Cb 0.69 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2wc0 h LEU 688 CO 0.05 0.88 -0.84 -0.07 0.09 0.00 0.00 178.44 178.55 2wc0 h LEU 689 N 0.87 0.08 -2.18 1.67 3.38 0.17 -3.33 115.31 115.96 2wc0 h LEU 689 Ca 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wc0 h LEU 689 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wc0 h LEU 689 CO 0.01 0.88 0.00 0.23 0.09 0.00 0.00 178.44 179.65 2wc0 n MET 690 N -3.59 2.44 -4.91 1.13 2.81 0.48 -4.82 117.12 110.66 2wc0 n MET 690 Ca -0.01 -2.16 -0.33 0.00 -1.81 0.00 0.00 57.70 53.39 2wc0 n MET 690 Cb 0.80 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.67 2wc0 n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wc0 s THR 691 N -1.61 2.99 0.21 2.03 2.01 -1.00 -2.08 115.64 118.19 2wc0 s THR 691 Ca 0.37 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 2wc0 s THR 691 Cb 0.22 -2.17 0.15 0.00 0.01 0.00 0.00 72.50 70.71 2wc0 s THR 691 CO 0.31 0.59 1.75 -0.08 -0.69 0.00 0.00 174.62 176.50 2wc0 h GLU 692 N 5.42 0.44 -4.59 4.92 4.81 -1.27 -3.41 114.58 120.90 2wc0 h GLU 692 Ca -0.45 -0.03 -0.41 0.00 -0.13 0.00 0.00 59.36 58.34 2wc0 h GLU 692 Cb 1.15 -0.10 -0.30 0.00 0.63 0.00 0.00 28.75 30.13 2wc0 h GLU 692 CO 0.50 0.29 -0.78 0.08 -0.73 0.00 0.00 179.01 178.37 2wc0 s VAL 693 N -6.08 0.73 -0.30 0.32 1.01 -1.26 -5.02 120.40 109.80 2wc0 s VAL 693 Ca -0.13 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2wc0 s VAL 693 Cb 0.17 -0.65 0.17 0.00 0.00 0.00 0.00 36.38 36.07 2wc0 s VAL 693 CO 0.75 0.23 1.03 0.00 0.00 0.00 0.00 175.10 177.10 2wc0 s ALA 694 N 0.10 -2.67 -0.10 5.51 0.00 -1.26 -5.08 121.76 118.26 2wc0 s ALA 694 Ca -0.01 2.06 -0.16 0.00 0.00 0.00 0.00 51.96 53.84 2wc0 s ALA 694 Cb -0.07 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 2wc0 s ALA 694 CO 0.00 -0.80 0.41 -1.58 0.00 0.00 0.00 175.76 173.79 2wc0 s TRP 695 N 2.12 3.55 0.60 0.00 0.52 -1.26 -5.04 118.94 119.43 2wc0 s TRP 695 Ca -0.04 0.84 -0.14 0.00 0.02 0.00 0.00 56.10 56.78 2wc0 s TRP 695 Cb -0.05 -2.43 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 2wc0 s TRP 695 CO -0.16 0.30 1.03 0.95 0.02 0.00 0.00 176.95 179.09 2wc0 s THR 696 N 0.17 4.31 0.28 2.01 -4.23 -1.26 -4.86 115.64 112.06 2wc0 s THR 696 Ca 0.23 0.93 0.01 0.00 -1.18 0.00 0.00 61.69 61.68 2wc0 s THR 696 Cb -0.15 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.36 2wc0 s THR 696 CO 0.09 -0.81 1.68 0.11 -0.54 0.00 0.00 174.62 175.15 2wc0 h LYS 697 N 0.12 0.29 -0.74 3.99 1.79 -1.97 -0.93 116.57 119.12 2wc0 h LYS 697 Ca -0.45 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 57.96 2wc0 h LYS 697 Cb 1.20 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 2wc0 h LYS 697 CO 0.60 0.19 0.30 -0.44 -1.08 0.00 0.00 179.45 179.02 2wc0 h ASP 698 N 0.30 1.02 0.58 0.86 3.45 -1.94 0.16 116.42 120.84 2wc0 h ASP 698 Ca 0.52 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.80 2wc0 h ASP 698 Cb 1.00 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 2wc0 h ASP 698 CO -0.57 0.91 -0.44 -0.33 -1.57 0.00 0.00 179.24 177.24 2wc0 h GLU 699 N 1.06 -0.95 -0.67 3.56 5.08 -1.79 -0.28 114.58 120.59 2wc0 h GLU 699 Ca 0.25 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 2wc0 h GLU 699 Cb 0.20 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2wc0 h GLU 699 CO -0.02 -0.63 0.36 -0.07 -1.00 0.00 0.00 179.01 177.65 2wc0 h LEU 700 N -0.99 0.53 -1.16 1.33 3.38 -1.08 -2.35 115.31 114.98 2wc0 h LEU 700 Ca -0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wc0 h LEU 700 Cb 0.83 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2wc0 h LEU 700 CO 0.02 0.34 0.45 0.50 0.09 0.00 0.00 178.44 179.84 2wc0 h LYS 701 N 0.66 1.03 0.01 1.13 3.64 -0.39 -2.30 116.57 120.35 2wc0 h LYS 701 Ca 0.30 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2wc0 h LYS 701 Cb 0.21 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wc0 h LYS 701 CO -0.20 0.72 -0.00 1.49 -2.27 0.00 0.00 179.45 179.19 2wc0 h GLU 702 N 1.05 -0.01 -0.01 1.90 4.81 -0.57 -3.21 114.58 118.53 2wc0 h GLU 702 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2wc0 h GLU 702 Cb -0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2wc0 h GLU 702 CO -0.05 0.23 0.03 0.00 -0.73 0.00 0.00 179.01 178.49 2wc0 h ALA 703 N 0.74 1.19 -0.37 2.92 0.00 -1.26 -2.81 119.26 119.66 2wc0 h ALA 703 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2wc0 h ALA 703 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wc0 h ALA 703 CO 0.00 -0.03 -0.14 1.25 0.00 0.00 0.00 179.25 180.33 2wc0 h LEU 704 N 0.00 0.66 -2.03 0.00 5.85 -1.42 -2.63 115.31 115.74 2wc0 h LEU 704 Ca 0.00 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.66 2wc0 h LEU 704 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2wc0 h LEU 704 CO -0.00 0.82 0.38 0.44 -0.34 0.00 0.00 178.44 179.74 2wc0 h ASP 705 N 0.61 0.00 0.51 1.25 3.45 -1.65 -1.55 116.42 119.04 2wc0 h ASP 705 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 2wc0 h ASP 705 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2wc0 h ASP 705 CO 0.04 0.00 -0.72 0.47 -1.57 0.00 0.00 179.24 177.46 2wc0 n ASP 706 N -4.08 0.61 -4.63 6.45 10.43 -1.00 -4.87 116.55 119.47 2wc0 n ASP 706 Ca 0.08 -0.22 -0.43 0.00 2.57 0.00 0.00 54.79 56.79 2wc0 n ASP 706 Cb 0.58 0.45 -0.03 0.00 1.84 0.00 0.00 41.12 43.97 2wc0 n ASP 706 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wc0 s VAL 707 N -3.09 3.41 0.26 2.53 1.01 -0.58 -4.95 120.40 118.99 2wc0 s VAL 707 Ca 0.08 0.46 0.11 0.00 0.00 0.00 0.00 61.98 62.63 2wc0 s VAL 707 Cb 0.16 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2wc0 s VAL 707 CO 0.75 -0.16 -0.14 0.42 0.00 0.00 0.00 175.10 175.97 2wc0 s THR 708 N 5.62 2.82 0.18 3.92 -4.23 -1.26 -5.01 115.64 117.68 2wc0 s THR 708 Ca 0.81 -2.16 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 2wc0 s THR 708 Cb -0.31 -2.47 0.12 0.00 1.34 0.00 0.00 72.50 71.18 2wc0 s THR 708 CO 0.33 -0.34 1.59 0.25 -0.54 0.00 0.00 174.62 175.91 2wc0 h LEU 709 N 2.30 -1.15 -0.13 4.79 5.85 -1.99 -0.66 115.31 124.31 2wc0 h LEU 709 Ca -0.42 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2wc0 h LEU 709 Cb 1.25 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2wc0 h LEU 709 CO 0.58 -0.31 0.07 -0.65 -0.34 0.00 0.00 178.44 177.80 2wc0 h PRO 710 N -0.17 0.15 -0.29 5.25 0.11 -2.00 -1.51 132.00 133.55 2wc0 h PRO 710 Ca 0.23 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.41 2wc0 h PRO 710 Cb 0.55 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2wc0 h PRO 710 CO -0.66 0.10 0.29 0.00 -0.21 0.00 0.00 178.00 177.51 2wc0 h ARG 711 N 0.15 0.00 0.04 1.05 -0.00 -1.54 -1.17 114.38 112.91 2wc0 h ARG 711 Ca 0.05 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.46 2wc0 h ARG 711 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 29.97 29.98 2wc0 h ARG 711 CO -0.03 0.00 -0.33 1.25 0.00 0.00 0.00 179.97 180.87 2wc0 h LEU 712 N 0.00 0.21 -0.45 3.04 6.46 -0.53 -0.47 115.31 123.56 2wc0 h LEU 712 Ca 0.14 -0.91 0.08 0.00 -0.12 0.00 0.00 57.88 57.06 2wc0 h LEU 712 Cb 0.70 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.50 2wc0 h LEU 712 CO -0.00 1.11 0.06 0.11 -0.62 0.00 0.00 178.44 179.10 2wc0 h LYS 713 N -0.65 0.18 -0.49 1.25 1.57 -0.93 -0.60 116.57 116.89 2wc0 h LYS 713 Ca -0.05 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2wc0 h LYS 713 Cb 1.20 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.39 2wc0 h LYS 713 CO 0.06 0.12 0.01 0.00 -0.57 0.00 0.00 179.45 179.07 2wc0 h ALA 714 N 1.37 0.48 -0.69 3.86 0.00 -1.29 -3.17 119.26 119.82 2wc0 h ALA 714 Ca 0.23 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2wc0 h ALA 714 Cb 0.31 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2wc0 h ALA 714 CO -0.32 -0.38 0.33 0.35 0.00 0.00 0.00 179.25 179.23 2wc0 h PHE 715 N 0.13 0.58 0.27 0.00 3.57 0.47 -3.26 116.94 118.70 2wc0 h PHE 715 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2wc0 h PHE 715 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2wc0 h PHE 715 CO -0.30 0.20 -0.28 0.82 -2.23 0.00 0.00 178.31 176.52 2wc0 h ILE 716 N 0.56 0.41 -0.87 1.41 2.04 -1.33 0.26 117.51 119.97 2wc0 h ILE 716 Ca 0.34 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.20 2wc0 h ILE 716 Cb 0.38 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2wc0 h ILE 716 CO -0.28 0.00 0.53 -0.65 0.00 0.00 0.00 178.15 177.75 2wc0 h PRO 717 N -0.58 1.18 -0.14 2.37 0.11 -1.71 0.13 132.00 133.36 2wc0 h PRO 717 Ca -0.01 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.05 2wc0 h PRO 717 Cb 0.54 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.34 2wc0 h PRO 717 CO -0.07 0.82 -0.29 1.96 -0.21 0.00 0.00 178.00 180.22 2wc0 h GLN 718 N 1.20 -0.34 -0.90 1.05 7.50 -1.51 0.09 115.11 122.20 2wc0 h GLN 718 Ca 0.31 0.02 0.15 0.00 0.50 0.00 0.00 58.65 59.64 2wc0 h GLN 718 Cb -0.06 0.08 -0.07 0.00 0.05 0.00 0.00 27.48 27.47 2wc0 h GLN 718 CO -0.06 -0.23 0.58 1.25 -1.50 0.00 0.00 178.83 178.87 2wc0 h LEU 719 N -0.35 0.66 0.00 1.46 7.12 0.12 -3.08 115.31 121.24 2wc0 h LEU 719 Ca 0.10 0.04 -0.13 0.00 0.13 0.00 0.00 57.88 58.02 2wc0 h LEU 719 Cb 0.51 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.53 2wc0 h LEU 719 CO -0.34 0.33 -1.21 -0.07 -0.13 0.00 0.00 178.44 177.02 2wc0 h LEU 720 N 0.70 0.00 -1.82 2.25 3.38 0.52 -3.39 115.31 116.95 2wc0 h LEU 720 Ca 0.46 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.44 2wc0 h LEU 720 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2wc0 h LEU 720 CO -0.22 0.47 0.15 0.77 0.09 0.00 0.00 178.44 179.70 2wc0 h SER 721 N 0.00 0.21 -3.73 -0.43 4.64 -0.94 -3.40 113.55 109.91 2wc0 h SER 721 Ca -0.11 -0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.81 2wc0 h SER 721 Cb 1.46 -0.05 -0.31 0.00 -0.31 0.00 0.00 62.40 63.18 2wc0 h SER 721 CO 0.04 0.15 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.25 2wc0 s ARG 722 N -5.26 0.74 0.01 4.77 3.00 -1.26 -0.86 118.95 120.09 2wc0 s ARG 722 Ca -0.06 -0.20 -0.11 0.00 0.00 0.00 0.00 55.73 55.36 2wc0 s ARG 722 Cb 0.17 -0.72 0.01 0.00 0.00 0.00 0.00 34.95 34.41 2wc0 s ARG 722 CO 0.70 0.05 0.22 -0.51 0.00 0.00 0.00 175.30 175.76 2wc0 s LEU 723 N 0.35 1.21 0.19 2.53 1.43 -1.20 -4.69 118.68 118.50 2wc0 s LEU 723 Ca -0.05 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 2wc0 s LEU 723 Cb -0.09 1.01 -0.04 0.00 0.03 0.00 0.00 46.19 47.09 2wc0 s LEU 723 CO 0.00 -0.46 -0.17 -2.28 0.23 0.00 0.00 176.35 173.66 2wc0 s HIS 724 N -1.76 2.45 -0.11 0.29 5.65 -1.18 -3.22 115.29 117.41 2wc0 s HIS 724 Ca -0.11 -0.30 -0.00 0.00 0.25 0.00 0.00 55.06 54.90 2wc0 s HIS 724 Cb -0.05 -1.20 0.02 0.00 -1.18 0.00 0.00 32.58 30.18 2wc0 s HIS 724 CO 0.01 0.52 -0.07 0.42 -0.65 0.00 0.00 174.74 174.96 2wc0 s ILE 725 N -1.73 0.99 -0.09 0.89 1.01 -0.61 -0.79 121.20 120.87 2wc0 s ILE 725 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 2wc0 s ILE 725 Cb -0.08 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2wc0 s ILE 725 CO 0.12 0.36 -0.01 -0.70 0.00 0.00 0.00 174.94 174.71 2wc0 s GLU 726 N 1.65 3.03 -0.00 2.79 2.12 -0.21 -0.85 118.70 127.23 2wc0 s GLU 726 Ca 0.04 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 2wc0 s GLU 726 Cb -0.13 -2.78 -0.00 0.00 0.26 0.00 0.00 34.13 31.48 2wc0 s GLU 726 CO -0.07 0.65 0.02 0.00 -0.54 0.00 0.00 175.26 175.31 2wc0 s ALA 727 N -0.73 -0.03 -0.18 6.30 0.00 -0.72 0.31 121.76 126.70 2wc0 s ALA 727 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2wc0 s ALA 727 Cb -0.12 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2wc0 s ALA 727 CO 0.02 -0.06 -0.14 -1.17 0.00 0.00 0.00 175.76 174.42 2wc0 s LEU 728 N -0.40 2.48 -0.17 0.00 0.20 0.82 -0.16 118.68 121.44 2wc0 s LEU 728 Ca -0.05 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.28 2wc0 s LEU 728 Cb -0.03 -1.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2wc0 s LEU 728 CO -0.00 0.03 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.14 2wc0 s LEU 729 N 1.12 2.18 -0.02 -0.68 1.43 -0.73 0.35 118.68 122.33 2wc0 s LEU 729 Ca 0.00 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2wc0 s LEU 729 Cb -0.14 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.62 2wc0 s LEU 729 CO -0.05 0.02 0.03 -2.28 0.23 0.00 0.00 176.35 174.30 2wc0 s HIS 730 N 1.20 0.03 -5.00 0.29 2.46 0.08 -1.77 115.29 112.58 2wc0 s HIS 730 Ca 0.03 0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.70 2wc0 s HIS 730 Cb -0.14 -0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.07 2wc0 s HIS 730 CO -0.10 -0.10 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 2wc0 n GLY 731 N 4.24 0.08 3.47 1.59 0.00 -0.98 0.36 105.19 113.95 2wc0 n GLY 731 Ca -0.27 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.09 2wc0 n GLY 731 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wc0 s ASN 732 N -4.00 6.97 -0.00 1.61 2.47 -0.93 0.19 114.94 121.25 2wc0 s ASN 732 Ca 0.00 -2.77 -0.28 0.00 0.42 0.00 0.00 52.86 50.23 2wc0 s ASN 732 Cb 0.00 -2.41 0.06 0.00 -1.45 0.00 0.00 41.25 37.45 2wc0 s ASN 732 CO 0.00 -0.84 0.62 -0.63 -3.72 0.00 0.00 177.10 172.53 2wc0 s ILE 733 N 2.00 0.01 0.17 -5.21 1.09 -1.26 -4.82 121.20 113.17 2wc0 s ILE 733 Ca 0.42 -0.06 0.04 0.00 -1.10 0.00 0.00 60.65 59.95 2wc0 s ILE 733 Cb -0.03 -0.97 -0.04 0.00 -1.06 0.00 0.00 42.46 40.36 2wc0 s ILE 733 CO -0.01 -0.03 0.21 0.42 -0.10 0.00 0.00 174.94 175.42 2wc0 s THR 734 N -1.74 4.85 0.29 2.92 -4.23 -1.26 -4.36 115.64 112.10 2wc0 s THR 734 Ca -0.09 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 2wc0 s THR 734 Cb -0.01 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.64 2wc0 s THR 734 CO 0.05 -0.12 1.66 0.50 -0.54 0.00 0.00 174.62 176.17 2wc0 h LYS 735 N 2.21 0.27 0.00 3.99 3.64 -1.99 0.15 116.57 124.83 2wc0 h LYS 735 Ca -0.48 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.71 2wc0 h LYS 735 Cb 1.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2wc0 h LYS 735 CO 0.65 0.18 -0.81 -0.56 -2.27 0.00 0.00 179.45 176.63 2wc0 h GLN 736 N 0.27 0.00 -0.03 1.90 -0.00 -1.99 -0.64 115.11 114.63 2wc0 h GLN 736 Ca 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 59.11 2wc0 h GLN 736 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.59 2wc0 h GLN 736 CO -0.61 0.81 -0.44 0.00 -0.00 0.00 0.00 178.83 178.59 2wc0 h ALA 737 N 1.19 1.22 0.05 0.06 0.00 -1.29 -1.21 119.26 119.28 2wc0 h ALA 737 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wc0 h ALA 737 Cb 1.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2wc0 h ALA 737 CO 0.11 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 2wc0 h ALA 738 N 1.50 -0.07 -0.89 0.00 0.00 -0.04 -0.62 119.26 119.14 2wc0 h ALA 738 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2wc0 h ALA 738 Cb 0.80 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 2wc0 h ALA 738 CO 0.06 -0.41 0.51 -0.07 0.00 0.00 0.00 179.25 179.35 2wc0 h LEU 739 N -0.33 0.70 -1.24 0.00 3.38 -1.02 -0.14 115.31 116.66 2wc0 h LEU 739 Ca -0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2wc0 h LEU 739 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wc0 h LEU 739 CO 0.01 0.34 0.20 1.23 0.09 0.00 0.00 178.44 180.31 2wc0 h GLY 740 N 0.78 0.77 0.82 0.83 0.00 -0.54 -0.11 103.07 105.63 2wc0 h GLY 740 Ca 0.46 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2wc0 h GLY 740 CO -0.30 0.36 -0.02 -2.22 0.00 0.00 0.00 176.54 174.36 2wc0 h ILE 741 N 0.72 1.09 -0.38 2.60 1.08 0.49 -1.54 117.51 121.57 2wc0 h ILE 741 Ca 0.17 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 2wc0 h ILE 741 Cb 0.15 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2wc0 h ILE 741 CO -0.02 0.11 0.15 -0.03 -0.69 0.00 0.00 178.15 177.67 2wc0 h MET 742 N -0.23 0.58 -0.51 2.37 4.05 -1.05 0.10 114.93 120.24 2wc0 h MET 742 Ca -0.00 -0.11 0.08 0.00 -0.28 0.00 0.00 59.70 59.38 2wc0 h MET 742 Cb 0.21 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.85 2wc0 h MET 742 CO 0.01 0.56 0.16 0.37 0.23 0.00 0.00 176.91 178.23 2wc0 h GLN 743 N 0.47 0.31 -0.36 0.39 5.75 -0.98 0.11 115.11 120.80 2wc0 h GLN 743 Ca 0.13 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2wc0 h GLN 743 Cb 0.20 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2wc0 h GLN 743 CO -0.01 0.20 0.20 1.98 -2.65 0.00 0.00 178.83 178.55 2wc0 h MET 744 N 0.32 0.39 0.32 1.69 4.05 -0.69 0.49 114.93 121.50 2wc0 h MET 744 Ca 0.25 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2wc0 h MET 744 Cb 0.30 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 2wc0 h MET 744 CO -0.28 0.26 -0.50 0.28 0.23 0.00 0.00 176.91 176.90 2wc0 h VAL 745 N 0.40 0.03 -0.23 -5.77 2.07 -0.02 0.55 116.25 113.29 2wc0 h VAL 745 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 2wc0 h VAL 745 Cb 0.03 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.76 2wc0 h VAL 745 CO -0.08 0.00 -0.44 -0.33 0.02 0.00 0.00 177.57 176.73 2wc0 h GLU 746 N -0.87 -0.43 -0.77 1.57 5.08 -0.79 -2.35 114.58 116.01 2wc0 h GLU 746 Ca -0.03 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2wc0 h GLU 746 Cb 0.81 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 2wc0 h GLU 746 CO -0.16 -0.29 0.47 -0.44 -1.00 0.00 0.00 179.01 177.59 2wc0 h ASP 747 N -0.45 0.74 -0.63 1.42 3.45 0.25 0.14 116.42 121.33 2wc0 h ASP 747 Ca 0.09 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 2wc0 h ASP 747 Cb 0.62 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 2wc0 h ASP 747 CO -0.47 0.48 0.10 0.74 -1.57 0.00 0.00 179.24 178.52 2wc0 h THR 748 N 0.87 1.26 -0.19 0.35 2.02 -0.73 -0.86 112.91 115.64 2wc0 h THR 748 Ca 0.33 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 2wc0 h THR 748 Cb 0.13 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2wc0 h THR 748 CO -0.16 0.38 0.01 -0.07 0.37 0.00 0.00 175.52 176.05 2wc0 h LEU 749 N 0.96 0.31 0.37 2.58 3.38 -0.60 -2.11 115.31 120.21 2wc0 h LEU 749 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2wc0 h LEU 749 Cb 0.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2wc0 h LEU 749 CO 0.01 0.53 -0.36 0.40 0.09 0.00 0.00 178.44 179.11 2wc0 h ILE 750 N 0.09 0.00 -1.08 1.22 2.04 -0.66 0.61 117.51 119.73 2wc0 h ILE 750 Ca 0.05 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.26 2wc0 h ILE 750 Cb 0.36 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.36 2wc0 h ILE 750 CO 0.01 0.00 0.73 -0.62 0.00 0.00 0.00 178.15 178.27 2wc0 n GLU 751 N -4.59 -0.01 0.00 2.37 -0.58 -0.34 0.06 120.64 117.54 2wc0 n GLU 751 Ca -0.09 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 2wc0 n GLU 751 Cb 0.33 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2wc0 n GLU 751 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2wc0 n HIS 752 N -3.74 0.00 -0.02 -0.32 8.25 -0.78 -4.76 115.22 113.86 2wc0 n HIS 752 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2wc0 n HIS 752 Cb 1.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.28 2wc0 n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wc0 n ALA 753 N -0.91 1.48 -2.53 -1.41 0.00 0.21 -4.84 120.51 112.50 2wc0 n ALA 753 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2wc0 n ALA 753 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wc0 n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wc0 n HIS 754 N -0.68 -1.17 -1.69 0.00 -0.00 0.11 -4.41 115.22 107.38 2wc0 n HIS 754 Ca 0.00 0.13 -0.44 0.00 -0.00 0.00 0.00 57.72 57.42 2wc0 n HIS 754 Cb 0.00 -3.90 -0.03 0.00 -0.00 0.00 0.00 29.99 26.07 2wc0 n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2wc0 n THR 755 N -4.13 0.77 -4.27 1.59 -1.04 -1.23 -4.83 114.28 101.12 2wc0 n THR 755 Ca -0.20 -0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 61.43 2wc0 n THR 755 Cb 0.66 -1.65 -0.11 0.00 -1.82 0.00 0.00 70.33 67.41 2wc0 n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wc0 s LYS 756 N -0.14 1.11 0.69 -2.82 1.02 -0.04 -4.63 119.74 114.93 2wc0 s LYS 756 Ca 0.69 -1.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 2wc0 s LYS 756 Cb -0.60 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2wc0 s LYS 756 CO 0.46 0.21 1.16 -2.14 -0.92 0.00 0.00 175.35 174.13 2wc0 s PRO 757 N -2.69 2.50 0.60 -1.68 0.02 -1.26 -3.24 135.00 129.24 2wc0 s PRO 757 Ca 0.11 1.60 -0.10 0.00 0.02 0.00 0.00 61.00 62.63 2wc0 s PRO 757 Cb -0.05 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 2wc0 s PRO 757 CO 0.04 -1.52 0.99 -1.17 -0.33 0.00 0.00 177.00 175.01 2wc0 s LEU 758 N -4.92 3.28 0.17 -5.54 2.96 -1.20 -4.79 118.68 108.65 2wc0 s LEU 758 Ca 0.71 1.33 -0.29 0.00 -0.22 0.00 0.00 54.13 55.67 2wc0 s LEU 758 Cb -0.25 -4.36 -0.08 0.00 0.50 0.00 0.00 46.19 42.00 2wc0 s LEU 758 CO 0.42 -0.84 0.90 -0.76 -1.32 0.00 0.00 176.35 174.75 2wc0 s LEU 759 N -5.12 4.58 0.25 -0.68 1.02 -1.26 -4.94 118.68 112.53 2wc0 s LEU 759 Ca 0.54 1.81 -0.13 0.00 0.02 0.00 0.00 54.13 56.37 2wc0 s LEU 759 Cb -0.11 -3.52 0.34 0.00 0.02 0.00 0.00 46.19 42.92 2wc0 s LEU 759 CO 0.52 0.09 1.56 -0.65 0.02 0.00 0.00 176.35 177.90 2wc0 h PRO 760 N 4.70 -0.01 0.00 1.29 0.11 -1.97 0.41 132.00 136.54 2wc0 h PRO 760 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wc0 h PRO 760 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wc0 h PRO 760 CO 0.69 -0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 2wc0 n SER 761 N -5.54 0.41 -0.19 -2.05 3.41 -1.26 -1.09 113.62 107.31 2wc0 n SER 761 Ca 0.13 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 2wc0 n SER 761 Cb 0.44 -0.72 0.63 0.00 -0.26 0.00 0.00 64.21 64.30 2wc0 n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wc0 n GLN 762 N -2.01 0.97 -1.46 4.33 6.02 0.15 -4.40 117.38 120.98 2wc0 n GLN 762 Ca 0.00 -0.37 -0.26 0.00 -0.01 0.00 0.00 57.00 56.36 2wc0 n GLN 762 Cb 0.10 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.80 2wc0 n GLN 762 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wc0 n LEU 763 N -0.69 6.41 -4.70 1.08 4.77 -0.25 -4.82 117.00 118.79 2wc0 n LEU 763 Ca 0.17 -4.00 -0.42 0.00 -0.03 0.00 0.00 56.01 51.72 2wc0 n LEU 763 Cb 0.27 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 2wc0 n LEU 763 CO 0.21 1.74 1.11 0.54 -1.33 0.00 0.00 177.39 179.67 2wc0 s VAL 764 N -1.85 3.58 0.44 4.08 0.11 -1.26 -5.05 120.40 120.45 2wc0 s VAL 764 Ca 0.60 1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 60.65 2wc0 s VAL 764 Cb 0.37 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2wc0 s VAL 764 CO -0.20 0.02 0.70 -0.13 -3.33 0.00 0.00 175.10 172.16 2wc0 s ARG 765 N 2.07 3.41 0.39 1.54 1.81 -1.26 -5.07 118.95 121.84 2wc0 s ARG 765 Ca 0.65 -0.09 -0.03 0.00 -1.72 0.00 0.00 55.73 54.54 2wc0 s ARG 765 Cb -0.33 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.64 2wc0 s ARG 765 CO 0.28 -0.13 0.65 0.71 -0.68 0.00 0.00 175.30 176.12 2wc0 s TYR 766 N -2.59 3.52 0.21 -0.53 1.51 -1.26 -5.06 117.35 113.15 2wc0 s TYR 766 Ca 0.45 0.58 0.07 0.00 -1.01 0.00 0.00 57.07 57.16 2wc0 s TYR 766 Cb -0.10 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2wc0 s TYR 766 CO 0.41 -0.03 0.12 1.03 -1.11 0.00 0.00 175.55 175.97 2wc0 s ARG 767 N -4.37 2.76 0.07 -0.62 0.52 -1.26 -4.86 118.95 111.19 2wc0 s ARG 767 Ca 0.44 -1.03 -0.19 0.00 -0.52 0.00 0.00 55.73 54.43 2wc0 s ARG 767 Cb -0.10 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.79 2wc0 s ARG 767 CO 0.38 0.44 0.55 -2.00 0.02 0.00 0.00 175.30 174.69 2wc0 s GLU 768 N -3.38 4.16 0.27 3.54 2.12 -1.26 -0.70 118.70 123.44 2wc0 s GLU 768 Ca 0.31 0.69 -0.29 0.00 0.36 0.00 0.00 54.97 56.03 2wc0 s GLU 768 Cb -0.09 -3.22 -0.14 0.00 0.26 0.00 0.00 34.13 30.94 2wc0 s GLU 768 CO 0.23 0.64 1.15 0.28 -0.54 0.00 0.00 175.26 177.01 2wc0 n VAL 769 N 1.68 1.62 -3.66 3.70 0.31 -0.88 0.52 118.33 121.62 2wc0 n VAL 769 Ca -0.11 -0.40 -0.39 0.00 -0.01 0.00 0.00 64.34 63.43 2wc0 n VAL 769 Cb 0.51 -1.14 -0.11 0.00 -0.91 0.00 0.00 33.84 32.19 2wc0 n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2wc0 s GLN 770 N -1.20 2.62 0.41 5.55 0.74 0.76 -4.67 119.66 123.87 2wc0 s GLN 770 Ca 0.62 -1.32 -0.25 0.00 0.05 0.00 0.00 55.36 54.46 2wc0 s GLN 770 Cb -0.70 -3.66 -0.08 0.00 1.10 0.00 0.00 33.01 29.67 2wc0 s GLN 770 CO 0.57 -0.82 1.19 -0.51 -0.55 0.00 0.00 175.29 175.17 2wc0 s LEU 771 N 1.42 4.18 0.41 3.68 2.01 -1.26 -4.24 118.68 124.89 2wc0 s LEU 771 Ca 0.01 2.39 -0.24 0.00 0.01 0.00 0.00 54.13 56.31 2wc0 s LEU 771 Cb -0.21 -4.02 -0.08 0.00 0.01 0.00 0.00 46.19 41.88 2wc0 s LEU 771 CO 0.03 -0.73 1.10 -2.16 1.01 0.00 0.00 176.35 175.60 2wc0 s PRO 772 N -2.32 4.04 -0.06 1.29 0.04 -1.26 -4.97 135.00 131.75 2wc0 s PRO 772 Ca 0.58 1.64 -0.39 0.00 0.04 0.00 0.00 61.00 62.87 2wc0 s PRO 772 Cb -0.32 -2.53 -0.17 0.00 0.04 0.00 0.00 34.50 31.52 2wc0 s PRO 772 CO 0.40 -0.28 1.43 -0.25 0.04 0.00 0.00 177.00 178.34 2wc0 n ASP 773 N -0.15 1.61 -0.15 6.66 10.43 -1.26 -0.98 116.55 132.70 2wc0 n ASP 773 Ca 0.05 1.12 -0.02 0.00 2.57 0.00 0.00 54.79 58.51 2wc0 n ASP 773 Cb 0.49 -1.12 -0.01 0.00 1.84 0.00 0.00 41.12 42.32 2wc0 n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wc0 n ARG 774 N 3.27 -1.04 -1.56 -1.24 1.74 0.64 -4.94 116.66 113.53 2wc0 n ARG 774 Ca 0.22 0.38 -0.31 0.00 -0.77 0.00 0.00 57.85 57.37 2wc0 n ARG 774 Cb 0.14 -4.23 0.06 0.00 -1.02 0.00 0.00 32.46 27.41 2wc0 n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wc0 s GLY 775 N -2.15 1.66 -0.23 -0.13 0.00 -0.15 -4.96 107.32 101.35 2wc0 s GLY 775 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 2wc0 s GLY 775 CO 0.00 0.36 0.40 0.86 0.00 0.00 0.00 173.10 174.72 2wc0 s TRP 776 N -3.06 -0.86 0.12 1.90 -0.00 -1.25 -2.79 118.94 112.99 2wc0 s TRP 776 Ca 0.59 1.06 0.09 0.00 -0.00 0.00 0.00 56.10 57.84 2wc0 s TRP 776 Cb -0.14 0.12 -0.04 0.00 -0.00 0.00 0.00 33.47 33.41 2wc0 s TRP 776 CO 0.55 -0.67 -0.19 -0.06 -0.00 0.00 0.00 176.95 176.59 2wc0 s PHE 777 N 2.58 2.52 -0.08 5.86 0.40 -0.99 -1.59 117.98 126.69 2wc0 s PHE 777 Ca 0.09 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2wc0 s PHE 777 Cb -0.15 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 42.05 2wc0 s PHE 777 CO -0.15 0.38 -0.16 0.08 0.70 0.00 0.00 175.22 176.07 2wc0 s VAL 778 N -1.13 1.44 -0.08 -0.44 1.01 -0.95 -0.51 120.40 119.74 2wc0 s VAL 778 Ca 0.18 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2wc0 s VAL 778 Cb -0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2wc0 s VAL 778 CO 0.10 0.42 -0.09 -0.47 0.00 0.00 0.00 175.10 175.06 2wc0 s TYR 779 N 0.59 2.89 -0.06 5.22 5.04 -0.19 -1.06 117.35 129.79 2wc0 s TYR 779 Ca -0.15 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.37 2wc0 s TYR 779 Cb -0.16 -1.74 0.02 0.00 0.35 0.00 0.00 41.96 40.42 2wc0 s TYR 779 CO 0.05 0.20 -0.10 -1.14 -1.34 0.00 0.00 175.55 173.22 2wc0 s GLN 780 N -0.52 1.44 0.29 4.97 0.74 -1.26 -1.10 119.66 124.22 2wc0 s GLN 780 Ca 0.07 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.19 2wc0 s GLN 780 Cb -0.12 -1.23 -0.04 0.00 1.10 0.00 0.00 33.01 32.72 2wc0 s GLN 780 CO 0.02 0.00 0.17 -0.65 -0.55 0.00 0.00 175.29 174.28 2wc0 s GLN 781 N 0.70 1.54 -0.11 1.67 -1.52 -0.13 -4.99 119.66 116.82 2wc0 s GLN 781 Ca -0.13 -1.87 0.03 0.00 -1.95 0.00 0.00 55.36 51.44 2wc0 s GLN 781 Cb -0.15 0.02 0.00 0.00 -0.22 0.00 0.00 33.01 32.67 2wc0 s GLN 781 CO 0.03 -0.46 -0.22 0.50 -0.25 0.00 0.00 175.29 174.88 2wc0 s ARG 782 N -3.83 2.92 0.02 2.91 3.52 -1.26 -0.28 118.95 122.95 2wc0 s ARG 782 Ca 0.37 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.84 2wc0 s ARG 782 Cb 0.05 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 2wc0 s ARG 782 CO 0.18 0.09 1.22 1.21 -0.81 0.00 0.00 175.30 177.19 2wc0 s ASN 783 N 0.55 7.05 0.00 -2.12 2.47 -0.20 -4.90 114.94 117.78 2wc0 s ASN 783 Ca -0.14 1.96 0.19 0.00 0.42 0.00 0.00 52.86 55.29 2wc0 s ASN 783 Cb -0.17 -2.57 0.60 0.00 -1.45 0.00 0.00 41.25 37.66 2wc0 s ASN 783 CO 0.05 -0.53 1.46 -0.62 -3.72 0.00 0.00 177.10 173.74 2wc0 n GLU 784 N 4.47 1.89 0.00 0.43 1.02 -1.26 -2.63 120.64 124.55 2wc0 n GLU 784 Ca 0.10 -1.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2wc0 n GLU 784 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2wc0 n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wc0 n VAL 785 N 0.57 0.00 -2.89 2.62 0.31 -1.26 -4.88 118.33 112.80 2wc0 n VAL 785 Ca 0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.08 2wc0 n VAL 785 Cb 0.37 -1.03 -0.04 0.00 -0.91 0.00 0.00 33.84 32.23 2wc0 n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2wc0 s HIS 786 N -1.98 3.70 -0.09 3.52 3.76 -1.26 -4.87 115.29 118.06 2wc0 s HIS 786 Ca 0.00 1.53 -0.03 0.00 -0.15 0.00 0.00 55.06 56.41 2wc0 s HIS 786 Cb 0.00 -2.92 -0.06 0.00 1.11 0.00 0.00 32.58 30.71 2wc0 s HIS 786 CO 0.00 0.16 2.69 -1.71 -0.85 0.00 0.00 174.74 175.03 2wc0 n ASN 787 N 3.25 5.58 -4.42 1.40 5.15 -1.26 -1.29 115.26 123.67 2wc0 n ASN 787 Ca 0.00 -2.61 -0.21 0.00 -0.60 0.00 0.00 54.58 51.16 2wc0 n ASN 787 Cb 0.50 -1.24 -0.10 0.00 -0.53 0.00 0.00 39.78 38.41 2wc0 n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wc0 s ASN 788 N 1.57 2.64 0.23 1.20 0.01 -1.26 -4.78 114.94 114.55 2wc0 s ASN 788 Ca 0.35 -1.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.32 2wc0 s ASN 788 Cb 0.19 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 2wc0 s ASN 788 CO -0.03 -0.39 0.37 -0.44 -1.51 0.00 0.00 177.10 175.11 2wc0 s SER 789 N -3.44 6.33 0.20 -1.22 0.01 0.24 -3.13 113.70 112.69 2wc0 s SER 789 Ca 0.30 0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.75 2wc0 s SER 789 Cb 0.04 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 2wc0 s SER 789 CO 0.12 -0.07 0.01 -0.83 0.41 0.00 0.00 173.24 172.88 2wc0 s GLY 790 N -3.74 1.40 -0.26 3.44 0.00 -0.76 -0.22 107.32 107.18 2wc0 s GLY 790 Ca 0.35 -1.69 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 2wc0 s GLY 790 CO 0.30 -1.58 0.71 -1.50 0.00 0.00 0.00 173.10 171.02 2wc0 s ILE 791 N -3.59 -0.00 -0.05 0.90 2.07 -0.93 -0.10 121.20 119.51 2wc0 s ILE 791 Ca 0.27 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.58 2wc0 s ILE 791 Cb 0.06 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 2wc0 s ILE 791 CO 0.07 0.00 -0.24 -0.70 -1.91 0.00 0.00 174.94 172.16 2wc0 s GLU 792 N 0.39 2.34 -0.10 3.50 2.12 -0.82 -2.52 118.70 123.61 2wc0 s GLU 792 Ca -0.00 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.49 2wc0 s GLU 792 Cb -0.05 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2wc0 s GLU 792 CO 0.01 0.41 -0.21 0.42 -0.54 0.00 0.00 175.26 175.34 2wc0 s ILE 793 N -0.25 1.85 -0.07 -3.70 1.01 -0.00 -1.22 121.20 118.82 2wc0 s ILE 793 Ca -0.00 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2wc0 s ILE 793 Cb -0.12 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2wc0 s ILE 793 CO 0.02 0.51 -0.08 -0.47 0.00 0.00 0.00 174.94 174.93 2wc0 s TYR 794 N 0.46 1.21 -0.50 3.97 5.04 -0.18 -1.56 117.35 125.80 2wc0 s TYR 794 Ca -0.17 -0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 53.93 2wc0 s TYR 794 Cb -0.17 -0.98 0.13 0.00 0.35 0.00 0.00 41.96 41.29 2wc0 s TYR 794 CO 0.07 -0.31 0.35 0.71 -1.34 0.00 0.00 175.55 175.03 2wc0 s TYR 795 N 1.07 3.49 0.01 4.97 1.51 0.12 -1.06 117.35 127.45 2wc0 s TYR 795 Ca -0.08 -2.16 -0.30 0.00 -1.01 0.00 0.00 57.07 53.52 2wc0 s TYR 795 Cb -0.14 -3.40 -0.05 0.00 -0.11 0.00 0.00 41.96 38.25 2wc0 s TYR 795 CO -0.01 -0.96 1.31 -1.14 -1.11 0.00 0.00 175.55 173.63 2wc0 s GLN 796 N 1.00 4.33 0.00 -0.62 0.74 -0.35 0.29 119.66 125.05 2wc0 s GLN 796 Ca 0.09 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.36 2wc0 s GLN 796 Cb -0.23 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.38 2wc0 s GLN 796 CO -0.03 -0.47 0.00 0.25 -0.55 0.00 0.00 175.29 174.50 2wc0 n THR 797 N 4.45 0.00 -3.81 -0.34 -2.24 -0.57 -4.16 114.28 107.60 2wc0 n THR 797 Ca 0.12 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 2wc0 n THR 797 Cb 0.45 -0.71 0.03 0.00 -2.10 0.00 0.00 70.33 67.99 2wc0 n THR 797 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wc0 s ASP 798 N -1.00 0.08 0.72 3.42 -1.08 -1.23 -5.01 116.67 112.57 2wc0 s ASP 798 Ca 0.00 -1.23 -0.16 0.00 -0.52 0.00 0.00 52.55 50.64 2wc0 s ASP 798 Cb 0.00 0.86 0.03 0.00 -1.46 0.00 0.00 42.92 42.35 2wc0 s ASP 798 CO 0.00 -1.72 1.26 -0.32 0.52 0.00 0.00 175.17 174.91 2wc0 s MET 799 N -2.14 2.15 0.27 4.34 0.00 -1.26 -2.71 119.30 119.96 2wc0 s MET 799 Ca 0.17 1.94 -0.30 0.00 0.00 0.00 0.00 55.69 57.50 2wc0 s MET 799 Cb -0.05 -1.81 -0.09 0.00 0.00 0.00 0.00 34.83 32.87 2wc0 s MET 799 CO 0.12 -1.87 1.08 -0.65 0.00 0.00 0.00 175.02 173.71 2wc0 s GLN 800 N -3.70 4.66 0.19 4.11 -0.21 0.19 -4.82 119.66 120.08 2wc0 s GLN 800 Ca 0.79 1.77 -0.21 0.00 0.02 0.00 0.00 55.36 57.72 2wc0 s GLN 800 Cb -0.34 -3.20 0.05 0.00 1.00 0.00 0.00 33.01 30.52 2wc0 s GLN 800 CO 0.44 0.23 0.61 -1.54 -2.12 0.00 0.00 175.29 172.92 2wc0 s SER 801 N -0.86 -0.43 0.26 5.90 1.04 -1.26 -4.98 113.70 113.37 2wc0 s SER 801 Ca 0.44 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.62 2wc0 s SER 801 Cb -0.31 0.63 0.52 0.00 0.10 0.00 0.00 66.02 66.95 2wc0 s SER 801 CO 0.40 -1.08 1.78 0.74 0.98 0.00 0.00 173.24 176.06 2wc0 h THR 802 N 2.04 0.77 -0.03 2.02 2.02 -1.99 0.17 112.91 117.92 2wc0 h THR 802 Ca -0.29 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 2wc0 h THR 802 Cb 1.29 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2wc0 h THR 802 CO 0.34 0.13 -0.36 0.77 0.37 0.00 0.00 175.52 176.77 2wc0 h SER 803 N 0.69 0.38 -0.46 4.18 4.64 -1.98 -2.85 113.55 118.14 2wc0 h SER 803 Ca 0.46 -0.71 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2wc0 h SER 803 Cb 0.60 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2wc0 h SER 803 CO -0.33 1.03 0.18 -0.33 -0.87 0.00 0.00 176.83 176.50 2wc0 h GLU 804 N -0.25 0.69 -0.93 4.77 4.39 -1.78 -1.13 114.58 120.33 2wc0 h GLU 804 Ca -0.04 -0.13 0.16 0.00 0.34 0.00 0.00 59.36 59.70 2wc0 h GLU 804 Cb 1.06 -0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.50 2wc0 h GLU 804 CO 0.07 0.63 0.53 -0.91 -1.16 0.00 0.00 179.01 178.18 2wc0 h ASN 805 N 0.59 0.69 0.39 1.42 -0.26 -0.76 -2.71 115.58 114.94 2wc0 h ASN 805 Ca 0.15 0.09 -0.32 0.00 -0.56 0.00 0.00 56.30 55.66 2wc0 h ASN 805 Cb 0.20 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 2wc0 h ASN 805 CO -0.01 0.28 -1.64 0.24 -1.06 0.00 0.00 177.43 175.24 2wc0 h MET 806 N 0.73 0.22 -0.64 0.81 2.86 -0.99 -1.72 114.93 116.19 2wc0 h MET 806 Ca 0.52 -0.38 0.12 0.00 -2.06 0.00 0.00 59.70 57.90 2wc0 h MET 806 Cb 0.73 0.14 -0.12 0.00 0.06 0.00 0.00 31.60 32.41 2wc0 h MET 806 CO -0.36 1.05 -0.29 0.74 1.06 0.00 0.00 176.91 179.11 2wc0 h PHE 807 N 0.06 -0.77 0.44 -0.22 -1.00 -1.36 0.17 116.94 114.27 2wc0 h PHE 807 Ca -0.28 0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.55 2wc0 h PHE 807 Cb 2.02 0.43 0.00 0.00 3.61 0.00 0.00 35.95 42.02 2wc0 h PHE 807 CO 0.06 -0.36 -0.21 1.25 -1.61 0.00 0.00 178.31 177.43 2wc0 h LEU 808 N -0.11 -0.50 -1.07 1.54 5.85 -1.42 0.14 115.31 119.73 2wc0 h LEU 808 Ca 0.27 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2wc0 h LEU 808 Cb 0.55 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2wc0 h LEU 808 CO -0.71 -0.22 0.42 -0.33 -0.34 0.00 0.00 178.44 177.27 2wc0 h GLU 809 N -0.80 1.07 0.18 1.25 5.08 -1.20 0.28 114.58 120.45 2wc0 h GLU 809 Ca -0.06 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2wc0 h GLU 809 Cb 0.55 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wc0 h GLU 809 CO 0.10 0.78 -0.09 1.25 -1.00 0.00 0.00 179.01 180.05 2wc0 h LEU 810 N 1.08 -0.21 -0.82 1.33 6.46 -0.47 -1.87 115.31 120.81 2wc0 h LEU 810 Ca 0.27 -0.29 0.11 0.00 -0.12 0.00 0.00 57.88 57.85 2wc0 h LEU 810 Cb 0.02 0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 39.88 2wc0 h LEU 810 CO -0.04 0.22 -0.47 0.15 -0.62 0.00 0.00 178.44 177.68 2wc0 h PHE 811 N -0.68 -1.41 -0.70 1.25 3.04 -0.47 -0.56 116.94 117.41 2wc0 h PHE 811 Ca -0.02 0.10 0.15 0.00 3.98 0.00 0.00 57.97 62.18 2wc0 h PHE 811 Cb 0.49 0.73 -0.04 0.00 2.56 0.00 0.00 35.95 39.69 2wc0 h PHE 811 CO 0.05 -0.40 0.48 0.00 -2.02 0.00 0.00 178.31 176.41 2wc0 h ALA 812 N 0.80 2.23 -0.10 2.41 0.00 -0.28 -0.31 119.26 124.01 2wc0 h ALA 812 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2wc0 h ALA 812 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wc0 h ALA 812 CO -0.85 -0.42 -0.22 0.37 0.00 0.00 0.00 179.25 178.13 2wc0 h GLN 813 N 0.30 0.33 -0.39 0.00 5.75 -0.35 -1.11 115.11 119.63 2wc0 h GLN 813 Ca 0.34 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.67 2wc0 h GLN 813 Cb 0.91 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.45 2wc0 h GLN 813 CO -0.08 0.82 0.14 0.82 -2.65 0.00 0.00 178.83 177.87 2wc0 h ILE 814 N -0.12 0.89 -0.00 2.39 2.04 0.39 -2.68 117.51 120.42 2wc0 h ILE 814 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2wc0 h ILE 814 Cb 0.81 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2wc0 h ILE 814 CO 0.05 0.05 -0.44 2.30 0.00 0.00 0.00 178.15 180.11 2wc0 n ILE 815 N -5.01 0.00 -0.03 -0.67 -5.35 -0.83 -4.41 119.36 103.06 2wc0 n ILE 815 Ca 0.02 -0.02 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 2wc0 n ILE 815 Cb 0.14 0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.26 2wc0 n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2wc0 h SER 816 N 0.17 -0.44 -0.15 7.28 0.87 -0.84 0.13 113.55 120.58 2wc0 h SER 816 Ca 0.00 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.42 2wc0 h SER 816 Cb 0.50 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2wc0 h SER 816 CO 0.00 -0.09 -0.66 1.05 -0.53 0.00 0.00 176.83 176.60 2wc0 h GLU 817 N -0.09 0.71 -1.08 2.24 -0.00 -1.78 -2.86 114.58 111.72 2wc0 h GLU 817 Ca 0.02 -0.56 0.30 0.00 -0.00 0.00 0.00 59.36 59.11 2wc0 h GLU 817 Cb 0.14 0.11 -0.11 0.00 -0.00 0.00 0.00 28.75 28.89 2wc0 h GLU 817 CO -0.14 1.18 0.68 -1.35 -0.00 0.00 0.00 179.01 179.37 2wc0 h PRO 818 N 0.41 0.35 0.17 1.06 0.11 -1.77 0.66 132.00 132.99 2wc0 h PRO 818 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2wc0 h PRO 818 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wc0 h PRO 818 CO 0.14 0.23 -0.08 0.00 -0.21 0.00 0.00 178.00 178.08 2wc0 h ALA 819 N 1.66 -0.23 -0.16 -0.75 0.00 -0.75 0.65 119.26 119.69 2wc0 h ALA 819 Ca 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2wc0 h ALA 819 Cb 1.67 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2wc0 h ALA 819 CO -0.38 -0.56 0.06 0.35 0.00 0.00 0.00 179.25 178.72 2wc0 h PHE 820 N -0.36 0.24 0.17 0.00 3.57 -1.05 -1.11 116.94 118.39 2wc0 h PHE 820 Ca -0.02 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wc0 h PHE 820 Cb 0.28 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2wc0 h PHE 820 CO -0.03 0.30 -0.18 -0.97 -2.23 0.00 0.00 178.31 175.21 2wc0 h ASN 821 N 0.10 -0.49 0.75 0.41 -0.73 0.90 0.29 115.58 116.81 2wc0 h ASN 821 Ca 0.05 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 2wc0 h ASN 821 Cb 0.16 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 2wc0 h ASN 821 CO -0.00 -0.27 -0.49 0.74 -0.37 0.00 0.00 177.43 177.03 2wc0 h THR 822 N -0.39 0.02 0.05 -3.57 2.02 0.28 0.29 112.91 111.61 2wc0 h THR 822 Ca 0.01 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.95 2wc0 h THR 822 Cb 0.37 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2wc0 h THR 822 CO -0.05 0.00 -1.13 -0.07 0.37 0.00 0.00 175.52 174.64 2wc0 h LEU 823 N -1.17 0.18 0.00 2.58 4.07 -1.10 0.41 115.31 120.27 2wc0 h LEU 823 Ca -0.10 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2wc0 h LEU 823 Cb 0.95 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.63 2wc0 h LEU 823 CO 0.08 1.16 -0.24 -1.14 -1.08 0.00 0.00 178.44 177.21 2wc0 n ARG 824 N -3.42 0.17 0.08 1.13 0.63 0.05 -0.93 116.66 114.37 2wc0 n ARG 824 Ca -0.04 0.27 -0.13 0.00 -0.92 0.00 0.00 57.85 57.02 2wc0 n ARG 824 Cb 0.98 -1.02 -0.08 0.00 0.45 0.00 0.00 32.46 32.79 2wc0 n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wc0 h THR 825 N -0.37 0.97 0.26 5.15 2.02 -0.87 0.34 112.91 120.41 2wc0 h THR 825 Ca 0.00 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2wc0 h THR 825 Cb 0.24 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2wc0 h THR 825 CO 0.00 0.11 -0.13 0.11 0.37 0.00 0.00 175.52 175.98 2wc0 h LYS 826 N -0.41 -0.34 -0.00 6.66 1.57 -0.34 -3.38 116.57 120.33 2wc0 h LYS 826 Ca -0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wc0 h LYS 826 Cb 0.33 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wc0 h LYS 826 CO 0.03 -0.23 -0.10 0.39 -0.57 0.00 0.00 179.45 178.98 2wc0 n GLU 827 N -3.53 0.05 -4.09 3.15 1.02 0.14 -4.95 120.64 112.44 2wc0 n GLU 827 Ca -0.04 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 2wc0 n GLU 827 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 2wc0 n GLU 827 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wc0 n GLN 828 N -1.47 -0.82 0.05 3.49 1.13 0.12 -4.88 117.38 115.00 2wc0 n GLN 828 Ca 0.07 0.15 -0.06 0.00 -1.94 0.00 0.00 57.00 55.22 2wc0 n GLN 828 Cb 0.33 -3.17 0.11 0.00 0.11 0.00 0.00 30.24 27.63 2wc0 n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wc0 h LEU 829 N -2.26 0.41 0.00 1.08 3.38 -1.21 -3.48 115.31 113.23 2wc0 h LEU 829 Ca -0.69 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2wc0 h LEU 829 Cb 1.40 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wc0 h LEU 829 CO 0.58 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2wc0 n GLY 830 N 0.17 0.95 0.36 0.83 0.00 -1.26 -3.79 105.19 102.45 2wc0 n GLY 830 Ca -0.02 -0.70 0.18 0.00 0.00 0.00 0.00 46.02 45.48 2wc0 n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wc0 h TYR 831 N 0.00 0.00 -3.37 1.61 3.20 -1.82 -3.41 116.97 113.18 2wc0 h TYR 831 Ca 0.00 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.21 2wc0 h TYR 831 Cb 0.00 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.01 2wc0 h TYR 831 CO 0.00 0.00 -0.75 0.42 -1.64 0.00 0.00 178.16 176.19 2wc0 s ILE 832 N -4.51 3.14 -0.27 1.81 1.01 -1.26 -5.02 121.20 116.10 2wc0 s ILE 832 Ca -0.04 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 2wc0 s ILE 832 Cb 0.14 -2.32 0.10 0.00 0.01 0.00 0.00 42.46 40.39 2wc0 s ILE 832 CO 0.49 0.53 0.63 -0.69 0.00 0.00 0.00 174.94 175.90 2wc0 s VAL 833 N 0.26 -0.38 -0.06 2.92 1.01 -1.26 -2.33 120.40 120.56 2wc0 s VAL 833 Ca -0.09 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 2wc0 s VAL 833 Cb -0.15 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.31 2wc0 s VAL 833 CO 0.05 0.01 0.24 0.12 0.00 0.00 0.00 175.10 175.52 2wc0 s PHE 834 N 2.11 -0.21 0.33 5.22 5.36 0.01 -4.88 117.98 125.92 2wc0 s PHE 834 Ca -0.08 0.47 0.07 0.00 -0.96 0.00 0.00 56.93 56.43 2wc0 s PHE 834 Cb -0.08 0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 2wc0 s PHE 834 CO -0.18 -0.20 0.29 -1.54 -1.46 0.00 0.00 175.22 172.12 2wc0 s SER 835 N -0.37 1.63 0.00 6.13 1.04 -1.26 -1.35 113.70 119.52 2wc0 s SER 835 Ca -0.05 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.64 2wc0 s SER 835 Cb -0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2wc0 s SER 835 CO 0.01 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2wc0 n GLY 836 N -0.62 3.27 3.54 7.32 0.00 -1.11 -4.97 105.19 112.63 2wc0 n GLY 836 Ca 0.07 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 2wc0 n GLY 836 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wc0 n PRO 837 N -1.36 0.81 -4.60 1.61 -0.02 -1.26 -2.51 135.00 127.65 2wc0 n PRO 837 Ca 0.00 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 2wc0 n PRO 837 Cb 0.00 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 2wc0 n PRO 837 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wc0 s ARG 838 N -2.17 3.14 -0.15 -0.52 3.52 0.52 -4.75 118.95 118.55 2wc0 s ARG 838 Ca 0.69 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 2wc0 s ARG 838 Cb -0.48 -2.55 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 2wc0 s ARG 838 CO 0.53 0.01 -0.17 1.03 -0.81 0.00 0.00 175.30 175.90 2wc0 s ARG 839 N 0.80 2.51 -0.10 5.12 3.00 -1.26 -1.55 118.95 127.47 2wc0 s ARG 839 Ca -0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 55.73 54.96 2wc0 s ARG 839 Cb -0.15 -2.20 0.04 0.00 0.00 0.00 0.00 34.95 32.64 2wc0 s ARG 839 CO -0.00 -0.17 0.24 0.00 0.00 0.00 0.00 175.30 175.37 2wc0 s ALA 840 N 1.27 -0.56 -0.50 2.13 0.00 -0.73 -4.94 121.76 118.44 2wc0 s ALA 840 Ca 0.01 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2wc0 s ALA 840 Cb -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2wc0 s ALA 840 CO -0.08 -0.18 0.00 0.09 0.00 0.00 0.00 175.76 175.59 2wc0 n ASN 841 N 3.95 -5.49 0.00 0.00 3.02 -1.26 -0.73 115.26 114.75 2wc0 n ASN 841 Ca -0.23 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2wc0 n ASN 841 Cb 0.54 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 2wc0 n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wc0 n GLY 842 N 0.15 1.48 4.00 7.41 0.00 -1.26 -4.61 105.19 112.36 2wc0 n GLY 842 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2wc0 n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc0 s ILE 843 N -2.16 2.51 0.34 -0.61 -1.09 0.10 0.53 121.20 120.82 2wc0 s ILE 843 Ca 0.00 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.42 2wc0 s ILE 843 Cb 0.00 -2.68 0.04 0.00 -1.58 0.00 0.00 42.46 38.24 2wc0 s ILE 843 CO 0.00 0.00 0.74 0.00 -1.23 0.00 0.00 174.94 174.45 2wc0 s GLN 844 N -4.70 2.05 0.00 2.79 -2.07 -1.10 -1.77 119.66 114.87 2wc0 s GLN 844 Ca 0.60 -1.30 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 2wc0 s GLN 844 Cb -0.08 0.61 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 2wc0 s GLN 844 CO 0.38 -0.95 0.00 0.41 -1.32 0.00 0.00 175.29 173.81 2wc0 n GLY 845 N -0.50 -0.51 3.37 2.60 0.00 -0.60 -1.52 105.19 108.03 2wc0 n GLY 845 Ca -0.06 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 2wc0 n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wc0 s LEU 846 N 0.00 2.44 0.09 0.99 1.98 0.15 -0.36 118.68 123.97 2wc0 s LEU 846 Ca 0.00 -0.36 0.03 0.00 -2.89 0.00 0.00 54.13 50.91 2wc0 s LEU 846 Cb 0.00 -1.48 -0.04 0.00 0.66 0.00 0.00 46.19 45.33 2wc0 s LEU 846 CO 0.00 0.27 -0.08 0.00 -1.89 0.00 0.00 176.35 174.65 2wc0 s ARG 847 N -0.29 0.81 0.02 1.98 1.70 -1.05 0.11 118.95 122.23 2wc0 s ARG 847 Ca 0.01 -1.20 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 2wc0 s ARG 847 Cb -0.13 -0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 33.90 2wc0 s ARG 847 CO 0.03 0.03 -0.09 -0.06 -1.08 0.00 0.00 175.30 174.12 2wc0 s PHE 848 N -2.93 0.82 -0.05 5.89 0.40 -0.60 -2.74 117.98 118.76 2wc0 s PHE 848 Ca 0.07 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 2wc0 s PHE 848 Cb 0.00 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 43.05 2wc0 s PHE 848 CO -0.02 -0.02 -0.11 0.42 0.70 0.00 0.00 175.22 176.20 2wc0 s ILE 849 N -0.65 0.98 0.02 0.64 1.01 -0.46 -0.82 121.20 121.93 2wc0 s ILE 849 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2wc0 s ILE 849 Cb -0.06 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2wc0 s ILE 849 CO 0.00 0.32 -0.06 -0.63 0.00 0.00 0.00 174.94 174.57 2wc0 s ILE 850 N 0.60 0.42 -0.06 2.92 1.01 -1.05 -0.81 121.20 124.23 2wc0 s ILE 850 Ca -0.12 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.85 2wc0 s ILE 850 Cb -0.14 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2wc0 s ILE 850 CO 0.03 -0.22 -0.23 -1.58 0.00 0.00 0.00 174.94 172.94 2wc0 s GLN 851 N -1.04 2.39 0.28 2.79 0.74 -0.98 -2.19 119.66 121.66 2wc0 s GLN 851 Ca -0.06 -0.81 -0.11 0.00 0.05 0.00 0.00 55.36 54.42 2wc0 s GLN 851 Cb -0.07 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.04 2wc0 s GLN 851 CO 0.00 0.31 0.51 0.45 -0.55 0.00 0.00 175.29 176.02 2wc0 s SER 852 N -0.03 0.15 -0.08 6.67 0.15 0.70 -4.03 113.70 117.23 2wc0 s SER 852 Ca -0.06 -1.08 0.15 0.00 0.70 0.00 0.00 55.95 55.66 2wc0 s SER 852 Cb -0.14 0.63 -0.22 0.00 -1.71 0.00 0.00 66.02 64.58 2wc0 s SER 852 CO 0.04 -1.24 0.22 1.21 1.20 0.00 0.00 173.24 174.67 2wc0 n GLU 853 N -0.44 0.96 -1.77 5.44 2.13 -1.25 -0.59 120.64 125.12 2wc0 n GLU 853 Ca -0.02 -0.08 -0.39 0.00 0.66 0.00 0.00 57.16 57.33 2wc0 n GLU 853 Cb 0.62 -1.39 0.03 0.00 0.27 0.00 0.00 31.44 30.97 2wc0 n GLU 853 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2wc0 s LYS 854 N -2.78 3.31 0.52 5.31 -0.14 -1.26 -4.76 119.74 119.94 2wc0 s LYS 854 Ca -0.07 2.32 -0.21 0.00 -1.36 0.00 0.00 55.97 56.65 2wc0 s LYS 854 Cb 0.08 -2.39 -0.08 0.00 -1.68 0.00 0.00 37.83 33.76 2wc0 s LYS 854 CO 0.65 -1.08 0.88 -0.35 -0.76 0.00 0.00 175.35 174.69 2wc0 n PRO 855 N -0.76 0.99 0.24 -1.68 -0.04 -1.26 -4.62 135.00 127.86 2wc0 n PRO 855 Ca 0.09 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2wc0 n PRO 855 Cb 0.44 -2.01 0.59 0.00 -0.04 0.00 0.00 33.50 32.48 2wc0 n PRO 855 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2wc0 h PRO 856 N 0.85 0.00 -0.09 0.54 0.11 -1.93 -1.95 132.00 129.54 2wc0 h PRO 856 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2wc0 h PRO 856 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 2wc0 h PRO 856 CO 0.52 0.19 -0.16 1.12 -0.21 0.00 0.00 178.00 179.47 2wc0 h HIS 857 N 0.00 0.14 0.04 0.65 2.07 -1.99 -1.01 115.15 115.04 2wc0 h HIS 857 Ca -0.00 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2wc0 h HIS 857 Cb 0.47 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.41 2wc0 h HIS 857 CO 0.00 0.29 -0.02 -0.92 -3.07 0.00 0.00 177.93 174.21 2wc0 h TYR 858 N 0.13 -0.04 -0.80 6.12 3.20 -1.75 -2.64 116.97 121.19 2wc0 h TYR 858 Ca 0.03 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2wc0 h TYR 858 Cb 0.36 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 2wc0 h TYR 858 CO 0.00 0.37 0.42 -0.07 -1.64 0.00 0.00 178.16 177.25 2wc0 h LEU 859 N -0.47 0.57 -0.86 2.82 4.07 -1.22 -0.52 115.31 119.70 2wc0 h LEU 859 Ca -0.00 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.07 2wc0 h LEU 859 Cb 0.43 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.08 2wc0 h LEU 859 CO 0.01 0.30 0.54 -0.08 -1.08 0.00 0.00 178.44 178.13 2wc0 h GLU 860 N 0.69 0.99 -0.18 1.13 4.57 -1.10 -0.86 114.58 119.82 2wc0 h GLU 860 Ca 0.40 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.33 2wc0 h GLU 860 Cb 0.44 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2wc0 h GLU 860 CO -0.28 0.66 -0.64 0.66 -1.18 0.00 0.00 179.01 178.23 2wc0 h SER 861 N 1.02 0.87 -0.20 1.04 4.64 -0.73 -2.06 113.55 118.13 2wc0 h SER 861 Ca 0.36 -0.60 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 2wc0 h SER 861 Cb 0.08 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 61.86 2wc0 h SER 861 CO -0.14 1.32 -0.20 0.03 -0.87 0.00 0.00 176.83 176.97 2wc0 h ARG 862 N 0.47 -0.21 -0.84 4.77 2.47 -1.05 0.34 114.38 120.33 2wc0 h ARG 862 Ca -0.03 0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.88 2wc0 h ARG 862 Cb 1.26 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 29.52 2wc0 h ARG 862 CO 0.13 -0.14 0.37 0.28 0.56 0.00 0.00 179.97 181.17 2wc0 h VAL 863 N -0.22 0.61 -0.15 2.04 2.07 -1.16 0.71 116.25 120.15 2wc0 h VAL 863 Ca 0.12 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 2wc0 h VAL 863 Cb 0.40 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2wc0 h VAL 863 CO -0.33 0.09 -0.44 -0.33 0.02 0.00 0.00 177.57 176.57 2wc0 h GLU 864 N 0.48 0.35 -0.15 1.57 4.39 -0.42 -1.40 114.58 119.40 2wc0 h GLU 864 Ca 0.48 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2wc0 h GLU 864 Cb 0.80 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2wc0 h GLU 864 CO -0.44 0.73 0.03 0.00 -1.16 0.00 0.00 179.01 178.17 2wc0 h ALA 865 N 1.24 0.20 -0.74 3.43 0.00 0.14 -2.54 119.26 120.99 2wc0 h ALA 865 Ca 0.02 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.95 2wc0 h ALA 865 Cb 0.90 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2wc0 h ALA 865 CO 0.07 -0.16 0.12 0.35 0.00 0.00 0.00 179.25 179.63 2wc0 h PHE 866 N 0.04 0.16 -0.80 0.00 3.57 0.60 -1.38 116.94 119.13 2wc0 h PHE 866 Ca 0.05 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2wc0 h PHE 866 Cb 0.27 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2wc0 h PHE 866 CO 0.01 -0.15 0.53 -0.07 -2.23 0.00 0.00 178.31 176.40 2wc0 h LEU 867 N 0.20 0.85 0.76 0.59 4.07 -0.85 -0.22 115.31 120.70 2wc0 h LEU 867 Ca 0.41 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.33 2wc0 h LEU 867 Cb 0.73 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 42.28 2wc0 h LEU 867 CO -0.56 0.58 -0.36 0.40 -1.08 0.00 0.00 178.44 177.41 2wc0 h ILE 868 N 0.98 0.00 -1.72 1.22 1.08 -0.98 -1.93 117.51 116.17 2wc0 h ILE 868 Ca 0.32 -0.17 0.51 0.00 -0.39 0.00 0.00 64.86 65.13 2wc0 h ILE 868 Cb 0.05 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.72 2wc0 h ILE 868 CO -0.09 0.00 1.22 0.41 -0.69 0.00 0.00 178.15 179.00 2wc0 n THR 869 N -5.20 -0.04 0.06 -0.27 -1.04 -0.97 0.55 114.28 107.38 2wc0 n THR 869 Ca -0.13 1.41 -0.12 0.00 -2.04 0.00 0.00 64.05 63.18 2wc0 n THR 869 Cb 0.40 -2.35 -0.13 0.00 -1.82 0.00 0.00 70.33 66.43 2wc0 n THR 869 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2wc0 h MET 870 N 0.00 0.13 -0.25 -2.82 -1.53 -0.53 -1.38 114.93 108.55 2wc0 h MET 870 Ca 0.85 -0.22 0.01 0.00 -3.44 0.00 0.00 59.70 56.90 2wc0 h MET 870 Cb 3.32 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 34.43 2wc0 h MET 870 CO -0.08 1.03 0.15 1.49 0.14 0.00 0.00 176.91 179.63 2wc0 h GLU 871 N 0.03 0.29 -0.32 0.39 4.81 0.87 -2.24 114.58 118.42 2wc0 h GLU 871 Ca -0.12 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 2wc0 h GLU 871 Cb 1.90 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 2wc0 h GLU 871 CO 0.15 0.19 -0.27 -0.22 -0.73 0.00 0.00 179.01 178.14 2wc0 h LYS 872 N 0.30 0.75 -0.70 1.92 3.64 -1.26 -1.37 116.57 119.86 2wc0 h LYS 872 Ca 0.10 -0.38 0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2wc0 h LYS 872 Cb -0.01 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2wc0 h LYS 872 CO -0.04 1.00 0.47 1.03 -2.27 0.00 0.00 179.45 179.63 2wc0 h SER 873 N 0.52 0.36 0.81 4.20 0.87 -0.79 0.11 113.55 119.62 2wc0 h SER 873 Ca 0.06 0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.39 2wc0 h SER 873 Cb 0.84 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2wc0 h SER 873 CO 0.07 0.20 -1.14 0.40 -0.53 0.00 0.00 176.83 175.83 2wc0 h ILE 874 N 0.39 1.59 -0.74 2.23 2.04 -1.13 -1.97 117.51 119.92 2wc0 h ILE 874 Ca 0.34 -3.23 0.17 0.00 1.00 0.00 0.00 64.86 63.13 2wc0 h ILE 874 Cb 0.77 2.88 -0.12 0.00 -0.74 0.00 0.00 36.82 39.61 2wc0 h ILE 874 CO -0.10 0.93 0.11 -0.08 0.00 0.00 0.00 178.15 179.01 2wc0 h GLU 875 N 0.03 0.19 -0.17 2.37 4.57 0.35 -2.96 114.58 118.96 2wc0 h GLU 875 Ca -0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2wc0 h GLU 875 Cb 1.87 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 2wc0 h GLU 875 CO 0.16 0.13 0.00 -0.25 -1.18 0.00 0.00 179.01 177.87 2wc0 n ASP 876 N -5.23 2.52 -4.73 1.04 10.43 -0.91 -4.90 116.55 114.78 2wc0 n ASP 876 Ca 0.14 -1.73 -0.41 0.00 2.57 0.00 0.00 54.79 55.35 2wc0 n ASP 876 Cb 0.47 -0.11 -0.04 0.00 1.84 0.00 0.00 41.12 43.29 2wc0 n ASP 876 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 2wc0 s MET 877 N -1.10 4.55 0.74 -1.24 1.75 -0.75 -5.01 119.30 118.24 2wc0 s MET 877 Ca 0.21 1.67 -0.11 0.00 -1.25 0.00 0.00 55.69 56.21 2wc0 s MET 877 Cb 0.13 -3.33 0.04 0.00 2.84 0.00 0.00 34.83 34.50 2wc0 s MET 877 CO 0.18 -0.04 1.08 0.95 -0.65 0.00 0.00 175.02 176.54 2wc0 s THR 878 N 0.37 3.55 0.34 10.11 -4.23 -1.26 -4.85 115.64 119.67 2wc0 s THR 878 Ca 0.53 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 2wc0 s THR 878 Cb -0.28 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.58 2wc0 s THR 878 CO 0.32 -0.66 1.94 -0.08 -0.54 0.00 0.00 174.62 175.60 2wc0 h GLU 879 N -0.89 0.85 0.18 3.99 4.57 -1.99 0.82 114.58 122.11 2wc0 h GLU 879 Ca -0.45 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2wc0 h GLU 879 Cb 1.24 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2wc0 h GLU 879 CO 0.58 0.56 -0.12 0.93 -1.18 0.00 0.00 179.01 179.79 2wc0 h GLU 880 N 0.87 -0.28 0.25 1.92 4.39 -2.00 -2.26 114.58 117.48 2wc0 h GLU 880 Ca 0.34 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.06 2wc0 h GLU 880 Cb 0.21 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2wc0 h GLU 880 CO -0.12 -0.19 -0.31 0.00 -1.16 0.00 0.00 179.01 177.23 2wc0 h ALA 881 N 0.52 -0.62 -1.10 3.43 0.00 -1.74 -2.38 119.26 117.37 2wc0 h ALA 881 Ca -0.02 -0.09 0.35 0.00 0.00 0.00 0.00 54.91 55.16 2wc0 h ALA 881 Cb 0.25 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 2wc0 h ALA 881 CO 0.01 -0.89 0.66 0.35 0.00 0.00 0.00 179.25 179.39 2wc0 h PHE 882 N -0.61 0.77 0.00 0.00 3.57 -0.77 -1.95 116.94 117.95 2wc0 h PHE 882 Ca -0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2wc0 h PHE 882 Cb 0.59 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2wc0 h PHE 882 CO -0.22 -0.16 -1.18 1.96 -2.23 0.00 0.00 178.31 176.48 2wc0 h GLN 883 N 0.26 0.00 -0.79 1.11 1.08 -0.98 -2.31 115.11 113.47 2wc0 h GLN 883 Ca 0.74 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.93 2wc0 h GLN 883 Cb 1.92 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.31 2wc0 h GLN 883 CO -0.51 0.26 0.46 0.87 -0.95 0.00 0.00 178.83 178.97 2wc0 h LYS 884 N 0.00 1.07 0.21 1.46 1.57 -0.87 0.46 116.57 120.47 2wc0 h LYS 884 Ca -0.11 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2wc0 h LYS 884 Cb 1.44 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wc0 h LYS 884 CO 0.04 0.75 -0.10 0.45 -0.57 0.00 0.00 179.45 180.03 2wc0 h HIS 885 N 1.08 -0.26 -0.76 -1.35 3.86 -1.33 0.47 115.15 116.87 2wc0 h HIS 885 Ca 0.28 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.66 2wc0 h HIS 885 Cb -0.03 0.08 -0.12 0.00 1.06 0.00 0.00 27.41 28.40 2wc0 h HIS 885 CO 0.00 0.14 0.15 0.82 0.86 0.00 0.00 177.93 179.91 2wc0 h ILE 886 N -0.78 0.45 -0.14 2.45 2.04 -1.25 0.57 117.51 120.84 2wc0 h ILE 886 Ca -0.03 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2wc0 h ILE 886 Cb 0.51 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2wc0 h ILE 886 CO 0.05 0.04 -0.28 -0.61 0.00 0.00 0.00 178.15 177.34 2wc0 h GLN 887 N 0.22 0.26 0.06 2.37 5.75 0.32 -0.31 115.11 123.78 2wc0 h GLN 887 Ca 0.43 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.74 2wc0 h GLN 887 Cb 0.77 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.31 2wc0 h GLN 887 CO -0.56 0.53 -0.43 0.00 -2.65 0.00 0.00 178.83 175.72 2wc0 h ALA 888 N 1.47 -0.02 -0.55 3.38 0.00 0.49 -1.26 119.26 122.77 2wc0 h ALA 888 Ca 0.03 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.46 2wc0 h ALA 888 Cb 0.63 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 2wc0 h ALA 888 CO 0.05 0.20 -0.41 1.25 0.00 0.00 0.00 179.25 180.33 2wc0 h LEU 889 N -0.56 -1.40 -0.51 0.00 5.85 -0.58 -1.72 115.31 116.39 2wc0 h LEU 889 Ca -0.07 0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.99 2wc0 h LEU 889 Cb 1.28 0.64 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 2wc0 h LEU 889 CO 0.08 -0.33 -0.23 0.00 -0.34 0.00 0.00 178.44 177.62 2wc0 h ALA 890 N 0.68 0.13 -0.72 1.25 0.00 -1.02 -0.54 119.26 119.05 2wc0 h ALA 890 Ca 0.19 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2wc0 h ALA 890 Cb 0.56 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2wc0 h ALA 890 CO -0.67 -0.57 0.45 0.82 0.00 0.00 0.00 179.25 179.29 2wc0 h ILE 891 N -0.12 1.20 -0.26 0.00 2.04 -0.48 -2.17 117.51 117.73 2wc0 h ILE 891 Ca 0.23 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2wc0 h ILE 891 Cb 0.48 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2wc0 h ILE 891 CO -0.58 0.20 0.11 0.03 0.00 0.00 0.00 178.15 177.91 2wc0 h ARG 892 N 0.99 0.38 -0.16 2.37 3.08 -0.40 -2.58 114.38 118.06 2wc0 h ARG 892 Ca 0.26 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 2wc0 h ARG 892 Cb -0.06 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2wc0 h ARG 892 CO -0.05 0.41 -0.65 0.00 -1.07 0.00 0.00 179.97 178.60 2wc0 h ARG 893 N 0.27 0.60 -0.00 0.04 2.47 -0.98 -3.20 114.38 113.57 2wc0 h ARG 893 Ca 0.09 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2wc0 h ARG 893 Cb 0.16 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2wc0 h ARG 893 CO -0.01 1.05 -0.01 1.28 0.56 0.00 0.00 179.97 182.84 2wc0 n LEU 894 N -3.92 0.02 -4.61 3.04 4.77 -0.83 -4.88 117.00 110.59 2wc0 n LEU 894 Ca -0.05 0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 55.98 2wc0 n LEU 894 Cb 0.67 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2wc0 n LEU 894 CO 0.49 0.00 1.71 -0.62 -1.33 0.00 0.00 177.39 177.64 2wc0 s ASP 895 N -2.97 5.71 0.19 -1.43 2.15 -0.98 -4.93 116.67 114.42 2wc0 s ASP 895 Ca 0.15 1.77 -0.30 0.00 0.43 0.00 0.00 52.55 54.60 2wc0 s ASP 895 Cb 0.19 -2.52 -0.17 0.00 -0.30 0.00 0.00 42.92 40.13 2wc0 s ASP 895 CO 0.53 -1.78 0.71 0.29 -0.17 0.00 0.00 175.17 174.76 2wc0 n LYS 896 N 8.50 0.33 -2.10 4.34 4.01 -1.26 -4.96 118.16 127.02 2wc0 n LYS 896 Ca 0.26 0.11 -0.42 0.00 -0.51 0.00 0.00 58.31 57.76 2wc0 n LYS 896 Cb 0.45 -1.27 -0.03 0.00 -0.51 0.00 0.00 35.03 33.67 2wc0 n LYS 896 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 2wc0 s PRO 897 N -0.95 4.28 0.04 1.97 0.02 -1.26 -4.97 135.00 134.13 2wc0 s PRO 897 Ca 0.67 2.14 0.20 0.00 0.02 0.00 0.00 61.00 64.03 2wc0 s PRO 897 Cb -0.92 -3.34 -0.17 0.00 0.02 0.00 0.00 34.50 30.09 2wc0 s PRO 897 CO 0.57 -0.54 0.69 1.63 -0.33 0.00 0.00 177.00 179.02 2wc0 n LYS 898 N 4.45 0.64 -4.46 5.54 5.02 -1.26 -4.87 118.16 123.22 2wc0 n LYS 898 Ca 0.13 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.24 2wc0 n LYS 898 Cb 0.42 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 2wc0 n LYS 898 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wc0 s LYS 899 N -3.11 1.67 0.15 1.97 -2.85 -1.26 -4.22 119.74 112.08 2wc0 s LYS 899 Ca -0.05 -1.72 -0.27 0.00 -1.00 0.00 0.00 55.97 52.93 2wc0 s LYS 899 Cb 0.10 -1.79 -0.01 0.00 -2.06 0.00 0.00 37.83 34.07 2wc0 s LYS 899 CO 0.83 0.34 1.58 1.25 0.10 0.00 0.00 175.35 179.45 2wc0 h LEU 900 N 2.41 -1.34 -0.93 2.77 5.85 -1.96 -1.99 115.31 120.12 2wc0 h LEU 900 Ca -0.41 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2wc0 h LEU 900 Cb 1.25 0.58 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2wc0 h LEU 900 CO 0.58 -0.38 0.00 0.77 -0.34 0.00 0.00 178.44 179.07 2wc0 h SER 901 N -0.37 0.00 -0.07 1.25 4.64 -1.98 -0.35 113.55 116.68 2wc0 h SER 901 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2wc0 h SER 901 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2wc0 h SER 901 CO -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.43 2wc0 h ALA 902 N 2.20 0.10 -0.26 5.18 0.00 -1.77 -2.32 119.26 122.38 2wc0 h ALA 902 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2wc0 h ALA 902 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2wc0 h ALA 902 CO 0.00 -0.19 -0.00 1.49 0.00 0.00 0.00 179.25 180.55 2wc0 h GLU 903 N -0.20 0.08 -1.00 0.00 4.81 -1.01 -2.25 114.58 115.01 2wc0 h GLU 903 Ca 0.02 -0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 2wc0 h GLU 903 Cb 0.40 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.67 2wc0 h GLU 903 CO 0.01 0.05 0.62 0.77 -0.73 0.00 0.00 179.01 179.73 2wc0 h SER 904 N 0.08 0.81 -0.31 1.04 0.02 -1.36 -1.44 113.55 112.39 2wc0 h SER 904 Ca 0.13 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2wc0 h SER 904 Cb 0.16 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2wc0 h SER 904 CO -0.21 0.33 0.15 0.00 -1.14 0.00 0.00 176.83 175.96 2wc0 h ALA 905 N 1.61 0.40 -0.40 3.77 0.00 -1.07 0.48 119.26 124.06 2wc0 h ALA 905 Ca 0.55 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.44 2wc0 h ALA 905 Cb 0.80 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2wc0 h ALA 905 CO -0.34 -0.03 -0.02 -0.22 0.00 0.00 0.00 179.25 178.64 2wc0 h LYS 906 N 0.37 0.08 -0.03 0.00 3.64 -0.92 -0.68 116.57 119.03 2wc0 h LYS 906 Ca 0.11 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2wc0 h LYS 906 Cb 0.12 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2wc0 h LYS 906 CO -0.01 0.05 -0.17 1.88 -2.27 0.00 0.00 179.45 178.92 2wc0 h TYR 907 N 0.08 0.23 -0.93 1.91 0.99 -0.84 -3.14 116.97 115.27 2wc0 h TYR 907 Ca 0.20 -0.11 0.28 0.00 2.00 0.00 0.00 58.73 61.10 2wc0 h TYR 907 Cb 0.29 -0.03 -0.16 0.00 1.00 0.00 0.00 36.73 37.82 2wc0 h TYR 907 CO -0.29 0.83 0.27 2.35 -0.00 0.00 0.00 178.16 181.32 2wc0 h TRP 908 N -0.43 0.40 0.01 4.88 -0.00 0.05 -0.73 115.95 120.13 2wc0 h TRP 908 Ca -0.01 0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.96 2wc0 h TRP 908 Cb 0.85 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 29.93 2wc0 h TRP 908 CO 0.15 -0.29 -0.42 0.78 -0.00 0.00 0.00 178.44 178.66 2wc0 h GLY 909 N 0.15 -0.79 0.55 2.65 0.00 -1.07 0.92 103.07 105.48 2wc0 h GLY 909 Ca 0.62 0.51 0.12 0.00 0.00 0.00 0.00 47.33 48.58 2wc0 h GLY 909 CO -0.72 -0.25 0.61 0.83 0.00 0.00 0.00 176.54 177.01 2wc0 h GLU 910 N -0.58 0.90 0.29 4.80 4.39 -1.28 0.74 114.58 123.83 2wc0 h GLU 910 Ca 0.04 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2wc0 h GLU 910 Cb 0.66 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2wc0 h GLU 910 CO -0.31 0.59 -0.14 0.82 -1.16 0.00 0.00 179.01 178.81 2wc0 h ILE 911 N 0.92 0.13 0.00 3.13 2.04 -0.57 0.43 117.51 123.60 2wc0 h ILE 911 Ca 0.47 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2wc0 h ILE 911 Cb 0.50 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2wc0 h ILE 911 CO -0.23 0.04 -0.14 0.16 0.00 0.00 0.00 178.15 177.97 2wc0 h ILE 912 N -1.08 0.80 -0.00 -0.67 -2.65 -0.82 0.23 117.51 113.32 2wc0 h ILE 912 Ca -0.04 -0.55 0.00 0.00 1.03 0.00 0.00 64.86 65.30 2wc0 h ILE 912 Cb 0.36 1.33 0.00 0.00 -2.05 0.00 0.00 36.82 36.45 2wc0 h ILE 912 CO 0.07 0.14 -0.01 -1.54 0.03 0.00 0.00 178.15 176.83 2wc0 n SER 913 N -3.93 0.09 -2.18 2.16 3.41 0.25 -4.91 113.62 108.51 2wc0 n SER 913 Ca -0.02 -0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 57.96 2wc0 n SER 913 Cb 0.23 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 2wc0 n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wc0 n GLN 914 N -1.12 -2.00 0.06 4.33 6.02 0.80 -4.81 117.38 120.65 2wc0 n GLN 914 Ca 0.18 0.62 0.11 0.00 -0.01 0.00 0.00 57.00 57.90 2wc0 n GLN 914 Cb 0.21 -5.13 -0.03 0.00 1.02 0.00 0.00 30.24 26.30 2wc0 n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wc0 n GLN 915 N -2.57 0.56 -1.49 -1.09 6.02 -0.56 -4.00 117.38 114.26 2wc0 n GLN 915 Ca -0.14 0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 2wc0 n GLN 915 Cb 0.56 -1.71 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 2wc0 n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wc0 n TYR 916 N -2.45 -0.38 -2.17 1.08 4.02 0.03 -1.48 117.16 115.81 2wc0 n TYR 916 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2wc0 n TYR 916 Cb 0.53 -2.74 0.00 0.00 -0.02 0.00 0.00 39.34 37.11 2wc0 n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wc0 n ASN 917 N -0.73 5.87 0.28 7.72 5.15 -1.26 -4.79 115.26 127.49 2wc0 n ASN 917 Ca -0.15 -3.08 0.17 0.00 -0.60 0.00 0.00 54.58 50.92 2wc0 n ASN 917 Cb 0.48 -1.46 0.91 0.00 -0.53 0.00 0.00 39.78 39.18 2wc0 n ASN 917 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 2wc0 h PHE 918 N 5.45 0.00 -0.35 1.20 0.04 -1.97 -1.14 116.94 120.17 2wc0 h PHE 918 Ca 0.50 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 61.11 2wc0 h PHE 918 Cb 0.54 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.59 2wc0 h PHE 918 CO 1.38 0.00 -0.05 -3.47 -0.60 0.00 0.00 178.31 175.57 2wc0 n ASP 919 N -2.74 2.70 -0.09 2.17 4.64 -1.26 -4.80 116.55 117.17 2wc0 n ASP 919 Ca -0.02 -3.65 -0.00 0.00 -1.38 0.00 0.00 54.79 49.73 2wc0 n ASP 919 Cb 0.14 -0.62 0.27 0.00 -1.04 0.00 0.00 41.12 39.87 2wc0 n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2wc0 h ARG 920 N 1.10 0.72 -0.29 -0.67 2.43 -1.61 -2.79 114.38 113.27 2wc0 h ARG 920 Ca 0.20 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2wc0 h ARG 920 Cb 1.65 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 2wc0 h ARG 920 CO 0.37 0.60 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.81 2wc0 h ASP 921 N 0.72 0.66 -0.33 -3.80 3.32 -1.87 0.46 116.42 115.58 2wc0 h ASP 921 Ca 0.17 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2wc0 h ASP 921 Cb 0.16 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wc0 h ASP 921 CO -0.02 0.95 0.05 0.78 -1.72 0.00 0.00 179.24 179.29 2wc0 h ASN 922 N 0.38 0.52 -0.30 6.45 4.21 -1.92 0.09 115.58 125.01 2wc0 h ASN 922 Ca 0.06 -0.26 -0.18 0.00 1.21 0.00 0.00 56.30 57.12 2wc0 h ASN 922 Cb 0.73 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2wc0 h ASN 922 CO 0.05 0.65 -0.53 0.71 -1.29 0.00 0.00 177.43 177.02 2wc0 h THR 923 N 0.37 1.27 -0.65 2.81 1.35 -1.27 -1.55 112.91 115.25 2wc0 h THR 923 Ca 0.10 -1.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.20 2wc0 h THR 923 Cb 0.35 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 2wc0 h THR 923 CO 0.01 0.56 0.21 -0.33 -0.25 0.00 0.00 175.52 175.71 2wc0 h GLU 924 N 0.67 1.01 -0.22 4.72 5.08 -0.08 0.70 114.58 126.46 2wc0 h GLU 924 Ca 0.02 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2wc0 h GLU 924 Cb 1.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2wc0 h GLU 924 CO 0.12 0.88 -0.13 0.28 -1.00 0.00 0.00 179.01 179.16 2wc0 h VAL 925 N 0.94 1.31 0.32 3.13 2.07 -0.91 0.10 116.25 123.21 2wc0 h VAL 925 Ca 0.21 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2wc0 h VAL 925 Cb 0.29 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2wc0 h VAL 925 CO -0.01 0.38 -0.50 0.00 0.02 0.00 0.00 177.57 177.46 2wc0 h ALA 926 N 0.70 -1.04 -0.12 1.67 0.00 -1.20 -0.04 119.26 119.23 2wc0 h ALA 926 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wc0 h ALA 926 Cb 0.64 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2wc0 h ALA 926 CO 0.04 -1.14 -0.40 -0.92 0.00 0.00 0.00 179.25 176.83 2wc0 h TYR 927 N -0.87 -1.14 -0.63 0.00 3.20 -0.75 -2.71 116.97 114.06 2wc0 h TYR 927 Ca -0.03 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.94 2wc0 h TYR 927 Cb 0.81 0.52 -0.08 0.00 1.54 0.00 0.00 36.73 39.52 2wc0 h TYR 927 CO -0.34 -0.46 -0.37 -0.11 -1.64 0.00 0.00 178.16 175.24 2wc0 n LEU 928 N -5.43 -0.67 -0.33 2.82 0.00 0.34 -0.18 117.00 113.54 2wc0 n LEU 928 Ca -0.04 1.15 0.31 0.00 0.00 0.00 0.00 56.01 57.43 2wc0 n LEU 928 Cb 0.36 -0.16 0.55 0.00 0.00 0.00 0.00 43.42 44.17 2wc0 n LEU 928 CO 0.13 -0.93 1.00 0.29 0.00 0.00 0.00 177.39 177.88 2wc0 n LYS 929 N -4.74 -0.05 0.05 1.96 5.02 -0.07 0.11 118.16 120.45 2wc0 n LYS 929 Ca 0.01 1.20 0.16 0.00 -2.02 0.00 0.00 58.31 57.66 2wc0 n LYS 929 Cb 0.16 -2.22 0.66 0.00 -0.02 0.00 0.00 35.03 33.61 2wc0 n LYS 929 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wc0 h THR 930 N 0.00 0.82 -3.43 -0.18 2.02 -0.61 -3.46 112.91 108.06 2wc0 h THR 930 Ca 0.77 -0.02 -0.52 0.00 0.77 0.00 0.00 66.41 67.41 2wc0 h THR 930 Cb 2.19 0.77 0.03 0.00 -1.74 0.00 0.00 68.15 69.40 2wc0 h THR 930 CO -0.60 0.01 0.63 -0.76 0.37 0.00 0.00 175.52 175.18 2wc0 s LEU 931 N -8.90 4.42 0.27 2.58 1.02 0.29 -5.03 118.68 113.34 2wc0 s LEU 931 Ca -0.05 2.39 0.02 0.00 0.02 0.00 0.00 54.13 56.50 2wc0 s LEU 931 Cb 0.19 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.75 2wc0 s LEU 931 CO 0.72 -0.50 0.43 0.42 0.02 0.00 0.00 176.35 177.44 2wc0 s THR 932 N 0.01 5.19 0.20 5.49 -4.23 -1.26 -4.96 115.64 116.08 2wc0 s THR 932 Ca 0.56 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 2wc0 s THR 932 Cb -0.36 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 69.80 2wc0 s THR 932 CO 0.39 -0.36 1.69 0.50 -0.54 0.00 0.00 174.62 176.29 2wc0 h LYS 933 N 1.27 0.17 -0.99 3.99 3.64 -1.97 0.19 116.57 122.86 2wc0 h LYS 933 Ca -0.50 -0.01 0.37 0.00 -1.27 0.00 0.00 60.65 59.24 2wc0 h LYS 933 Cb 1.21 -0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.83 2wc0 h LYS 933 CO 0.63 0.11 0.50 1.49 -2.27 0.00 0.00 179.45 179.91 2wc0 h GLU 934 N 0.17 0.12 0.39 1.90 4.57 -1.97 -1.05 114.58 118.72 2wc0 h GLU 934 Ca 0.28 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 2wc0 h GLU 934 Cb 0.41 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2wc0 h GLU 934 CO -0.41 0.08 -0.19 -0.44 -1.18 0.00 0.00 179.01 176.87 2wc0 h ASP 935 N 0.12 -0.45 -0.57 1.04 3.32 -1.01 -2.45 116.42 116.42 2wc0 h ASP 935 Ca 0.78 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.84 2wc0 h ASP 935 Cb 1.93 0.12 -0.11 0.00 0.22 0.00 0.00 39.33 41.49 2wc0 h ASP 935 CO -0.72 -0.01 -0.17 0.40 -1.72 0.00 0.00 179.24 177.01 2wc0 h ILE 936 N -1.02 0.38 -0.42 0.35 1.08 -1.30 -0.57 117.51 116.01 2wc0 h ILE 936 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2wc0 h ILE 936 Cb 0.52 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 34.56 2wc0 h ILE 936 CO 0.09 0.00 -0.18 0.40 -0.69 0.00 0.00 178.15 177.77 2wc0 h ILE 937 N -0.04 0.44 0.20 -0.67 2.04 -1.23 -0.87 117.51 117.39 2wc0 h ILE 937 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2wc0 h ILE 937 Cb 0.45 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2wc0 h ILE 937 CO -0.60 0.00 -0.20 0.50 0.00 0.00 0.00 178.15 177.84 2wc0 h LYS 938 N -0.09 -0.42 -0.31 2.37 3.64 -0.69 -1.02 116.57 120.05 2wc0 h LYS 938 Ca 0.21 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 2wc0 h LYS 938 Cb 0.41 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 2wc0 h LYS 938 CO -0.49 -0.28 -0.32 0.35 -2.27 0.00 0.00 179.45 176.44 2wc0 h PHE 939 N -0.44 -0.90 -0.97 1.91 3.57 -0.96 0.71 116.94 119.86 2wc0 h PHE 939 Ca 0.00 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.69 2wc0 h PHE 939 Cb 0.41 0.44 -0.15 0.00 2.79 0.00 0.00 35.95 39.45 2wc0 h PHE 939 CO -0.15 -0.39 -0.44 -0.92 -2.23 0.00 0.00 178.31 174.18 2wc0 h TYR 940 N -0.30 -1.28 0.00 0.41 5.03 -0.90 -0.62 116.97 119.30 2wc0 h TYR 940 Ca 0.15 0.11 -0.05 0.00 2.58 0.00 0.00 58.73 61.52 2wc0 h TYR 940 Cb 0.54 0.70 -0.01 0.00 1.55 0.00 0.00 36.73 39.51 2wc0 h TYR 940 CO -0.49 -0.40 -0.23 1.57 -1.32 0.00 0.00 178.16 177.28 2wc0 h LYS 941 N -0.01 0.00 0.00 1.82 5.09 -0.15 0.50 116.57 123.82 2wc0 h LYS 941 Ca 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.88 2wc0 h LYS 941 Cb 0.55 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.86 2wc0 h LYS 941 CO -0.96 0.23 -0.88 1.49 -2.09 0.00 0.00 179.45 177.24 2wc0 h GLU 942 N 0.00 0.00 0.00 0.07 4.81 -0.21 -3.39 114.58 115.86 2wc0 h GLU 942 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2wc0 h GLU 942 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2wc0 h GLU 942 CO 0.03 0.61 -1.17 -1.33 -0.73 0.00 0.00 179.01 176.42 2wc0 n MET 943 N -3.19 2.68 -0.01 1.92 0.00 -0.31 -2.00 117.12 116.21 2wc0 n MET 943 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 57.70 57.66 2wc0 n MET 943 Cb 0.83 -1.07 -0.02 0.00 0.00 0.00 0.00 33.22 32.97 2wc0 n MET 943 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wc0 n LEU 944 N -1.97 0.04 -4.74 4.03 4.77 0.08 -3.77 117.00 115.45 2wc0 n LEU 944 Ca -0.03 -0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.55 2wc0 n LEU 944 Cb 0.46 0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2wc0 n LEU 944 CO 0.06 0.06 0.98 0.00 -1.33 0.00 0.00 177.39 177.16 2wc0 n ALA 945 N -2.09 1.68 0.25 -1.18 0.00 -0.71 -4.79 120.51 113.66 2wc0 n ALA 945 Ca -0.04 0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.73 2wc0 n ALA 945 Cb 0.57 -2.34 0.38 0.00 0.00 0.00 0.00 19.45 18.06 2wc0 n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wc0 h VAL 946 N 2.03 0.03 -0.34 0.00 3.04 -1.95 0.10 116.25 119.16 2wc0 h VAL 946 Ca -0.50 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 64.93 2wc0 h VAL 946 Cb 1.29 0.27 -0.31 0.00 -2.01 0.00 0.00 31.29 30.52 2wc0 h VAL 946 CO 0.60 0.00 -0.87 -0.90 -1.01 0.00 0.00 177.57 175.39 2wc0 n ASP 947 N -2.81 2.50 -4.80 3.17 3.85 -1.26 -5.05 116.55 112.15 2wc0 n ASP 947 Ca 0.03 -2.98 -0.34 0.00 -0.71 0.00 0.00 54.79 50.79 2wc0 n ASP 947 Cb 0.84 -0.41 -0.04 0.00 -1.35 0.00 0.00 41.12 40.15 2wc0 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wc0 s ALA 948 N -2.84 2.93 0.14 2.12 0.00 0.35 -4.94 121.76 119.53 2wc0 s ALA 948 Ca 0.38 0.57 0.25 0.00 0.00 0.00 0.00 51.96 53.17 2wc0 s ALA 948 Cb 0.37 -3.23 1.00 0.00 0.00 0.00 0.00 23.12 21.26 2wc0 s ALA 948 CO -0.05 -0.20 1.86 -1.00 0.00 0.00 0.00 175.76 176.36 2wc0 h PRO 949 N 1.76 0.00 -0.26 0.00 0.13 -1.76 -3.19 132.00 128.68 2wc0 h PRO 949 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2wc0 h PRO 949 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2wc0 h PRO 949 CO 0.60 0.19 -0.12 0.54 -0.23 0.00 0.00 178.00 178.98 2wc0 n ARG 950 N -3.36 1.94 -2.00 0.86 1.74 -0.85 -4.06 116.66 110.93 2wc0 n ARG 950 Ca 0.00 -3.09 -0.42 0.00 -0.77 0.00 0.00 57.85 53.57 2wc0 n ARG 950 Cb 0.41 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2wc0 n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wc0 s ARG 951 N -3.14 4.22 -0.36 5.56 3.52 -1.21 -4.67 118.95 122.87 2wc0 s ARG 951 Ca 0.42 2.24 0.02 0.00 -0.13 0.00 0.00 55.73 58.28 2wc0 s ARG 951 Cb 0.38 -3.53 0.10 0.00 -1.56 0.00 0.00 34.95 30.34 2wc0 s ARG 951 CO 0.01 -0.67 0.10 -1.01 -0.81 0.00 0.00 175.30 172.91 2wc0 s HIS 952 N 2.35 3.69 -0.10 5.12 3.76 -1.26 -0.26 115.29 128.59 2wc0 s HIS 952 Ca 0.71 -2.77 0.01 0.00 -0.15 0.00 0.00 55.06 52.85 2wc0 s HIS 952 Cb -0.38 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.30 2wc0 s HIS 952 CO 0.31 -0.95 -0.11 0.21 -0.85 0.00 0.00 174.74 173.34 2wc0 s LYS 953 N 0.99 3.12 0.06 1.40 2.20 -1.12 -1.21 119.74 125.18 2wc0 s LYS 953 Ca 0.09 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.12 2wc0 s LYS 953 Cb -0.20 -2.60 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 2wc0 s LYS 953 CO -0.07 0.38 -0.19 0.08 -0.36 0.00 0.00 175.35 175.19 2wc0 s VAL 954 N -0.07 1.54 -0.02 4.02 1.01 -0.23 -2.35 120.40 124.30 2wc0 s VAL 954 Ca -0.02 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.71 2wc0 s VAL 954 Cb -0.14 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2wc0 s VAL 954 CO 0.04 0.07 -0.02 -0.44 0.00 0.00 0.00 175.10 174.75 2wc0 s SER 955 N -1.40 0.49 -0.23 3.32 0.01 0.34 -1.01 113.70 115.23 2wc0 s SER 955 Ca 0.05 -0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 2wc0 s SER 955 Cb -0.09 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2wc0 s SER 955 CO 0.02 -0.05 0.01 -0.69 0.41 0.00 0.00 173.24 172.95 2wc0 s VAL 956 N 0.67 3.88 -0.17 3.43 1.01 -0.35 -1.02 120.40 127.85 2wc0 s VAL 956 Ca -0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2wc0 s VAL 956 Cb -0.10 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2wc0 s VAL 956 CO -0.01 0.39 0.01 -1.00 0.00 0.00 0.00 175.10 174.49 2wc0 s HIS 957 N 1.43 3.12 -0.32 5.22 3.76 -0.26 -1.94 115.29 126.31 2wc0 s HIS 957 Ca 0.05 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 2wc0 s HIS 957 Cb -0.15 -2.02 0.09 0.00 1.11 0.00 0.00 32.58 31.62 2wc0 s HIS 957 CO 0.01 0.04 0.01 0.08 -0.85 0.00 0.00 174.74 174.02 2wc0 s VAL 958 N 0.39 2.21 0.51 -0.90 1.01 0.86 -0.96 120.40 123.52 2wc0 s VAL 958 Ca -0.01 -2.12 -0.22 0.00 0.00 0.00 0.00 61.98 59.63 2wc0 s VAL 958 Cb -0.13 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2wc0 s VAL 958 CO 0.02 -0.44 1.25 -0.76 0.00 0.00 0.00 175.10 175.17 2wc0 s LEU 959 N 0.98 3.90 0.74 3.92 1.43 0.61 -1.83 118.68 128.43 2wc0 s LEU 959 Ca 0.05 2.51 -0.15 0.00 -1.03 0.00 0.00 54.13 55.52 2wc0 s LEU 959 Cb -0.19 -4.30 0.04 0.00 0.03 0.00 0.00 46.19 41.77 2wc0 s LEU 959 CO -0.08 -1.29 1.20 0.00 0.23 0.00 0.00 176.35 176.42 2wc0 s ALA 960 N -1.45 2.10 0.36 4.21 0.00 -1.18 -1.04 121.76 124.76 2wc0 s ALA 960 Ca 0.69 0.86 0.23 0.00 0.00 0.00 0.00 51.96 53.74 2wc0 s ALA 960 Cb -0.34 -3.46 1.25 0.00 0.00 0.00 0.00 23.12 20.57 2wc0 s ALA 960 CO 0.40 -1.90 1.38 -2.13 0.00 0.00 0.00 175.76 173.51 2wc0 n ARG 961 N -2.78 -0.04 -3.64 0.00 0.63 -0.41 -3.00 116.66 107.42 2wc0 n ARG 961 Ca 0.13 1.16 -0.28 0.00 -0.92 0.00 0.00 57.85 57.94 2wc0 n ARG 961 Cb 0.50 -2.18 -0.11 0.00 0.45 0.00 0.00 32.46 31.12 2wc0 n ARG 961 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2wc0 s GLU 962 N -5.19 1.55 0.35 -0.14 -1.05 -1.26 -4.95 118.70 108.00 2wc0 s GLU 962 Ca -0.07 -2.54 0.04 0.00 -0.15 0.00 0.00 54.97 52.24 2wc0 s GLU 962 Cb 0.29 -2.32 -0.01 0.00 -0.44 0.00 0.00 34.13 31.64 2wc0 s GLU 962 CO 0.70 -1.31 0.13 -1.33 0.95 0.00 0.00 175.26 174.41 2wc0 n MET 963 N 2.66 0.62 0.00 -4.83 2.81 -1.16 -5.17 117.12 112.04 2wc0 n MET 963 Ca 0.22 -2.95 0.00 0.00 -1.81 0.00 0.00 57.70 53.16 2wc0 n MET 963 Cb 0.41 1.64 0.00 0.00 -0.71 0.00 0.00 33.22 34.56 2wc0 n MET 963 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wc0 n ASN 979 N -1.62 0.00 -4.34 7.83 5.15 -1.26 -5.08 115.26 115.95 2wc0 n ASN 979 Ca -0.04 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.75 2wc0 n ASN 979 Cb 0.52 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.67 2wc0 n ASN 979 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wc0 s LEU 980 N 0.00 2.53 0.49 1.20 1.43 -1.26 -5.15 118.68 117.92 2wc0 s LEU 980 Ca 0.00 -0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 51.88 2wc0 s LEU 980 Cb 0.00 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.46 2wc0 s LEU 980 CO 0.00 -0.14 1.32 -0.94 0.23 0.00 0.00 176.35 176.82 2wc0 s SER 981 N -3.17 5.73 0.11 2.29 1.04 -1.26 -4.98 113.70 113.46 2wc0 s SER 981 Ca 0.21 2.68 -0.26 0.00 0.48 0.00 0.00 55.95 59.05 2wc0 s SER 981 Cb -0.02 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 2wc0 s SER 981 CO 0.07 -1.25 0.81 -1.58 0.98 0.00 0.00 173.24 172.26 2wc0 s GLN 982 N -2.68 4.57 0.45 4.02 0.74 -1.26 -4.97 119.66 120.54 2wc0 s GLN 982 Ca 0.66 1.17 -0.20 0.00 0.05 0.00 0.00 55.36 57.04 2wc0 s GLN 982 Cb -0.38 -3.33 -0.10 0.00 1.10 0.00 0.00 33.01 30.30 2wc0 s GLN 982 CO 0.47 0.38 0.97 0.00 -0.55 0.00 0.00 175.29 176.56 2wc0 s ALA 983 N -0.48 3.01 0.86 1.58 0.00 -1.26 -4.65 121.76 120.81 2wc0 s ALA 983 Ca 0.39 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 2wc0 s ALA 983 Cb -0.22 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 19.85 2wc0 s ALA 983 CO 0.26 -0.00 1.22 -1.25 0.00 0.00 0.00 175.76 175.99 2wc0 s PRO 984 N -3.28 1.53 0.02 0.00 0.04 -1.26 -4.96 135.00 127.08 2wc0 s PRO 984 Ca 0.63 -0.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.42 2wc0 s PRO 984 Cb -0.11 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2wc0 s PRO 984 CO 0.16 -1.87 0.60 0.00 0.04 0.00 0.00 177.00 175.93 2wc0 s ALA 985 N -3.66 3.50 0.05 8.56 0.00 -1.26 -5.00 121.76 123.96 2wc0 s ALA 985 Ca 0.66 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.71 2wc0 s ALA 985 Cb -0.09 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2wc0 s ALA 985 CO 0.50 0.22 -0.06 -0.51 0.00 0.00 0.00 175.76 175.91 2wc0 s LEU 986 N -0.42 3.21 0.98 0.00 1.43 -1.26 -5.10 118.68 117.52 2wc0 s LEU 986 Ca 0.31 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2wc0 s LEU 986 Cb -0.19 -1.91 0.14 0.00 0.03 0.00 0.00 46.19 44.26 2wc0 s LEU 986 CO 0.18 0.23 0.88 -0.81 0.23 0.00 0.00 176.35 177.06 2wc0 n PRO 987 N 1.11 -0.78 -2.16 1.29 -0.04 -1.26 -4.96 135.00 128.19 2wc0 n PRO 987 Ca -0.14 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 2wc0 n PRO 987 Cb 0.52 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 2wc0 n PRO 987 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2wc0 s GLN 988 N -4.28 4.28 0.50 0.54 -1.52 -1.26 -5.01 119.66 112.91 2wc0 s GLN 988 Ca 0.64 2.05 -0.18 0.00 -1.95 0.00 0.00 55.36 55.92 2wc0 s GLN 988 Cb -0.22 -3.50 -0.08 0.00 -0.22 0.00 0.00 33.01 28.99 2wc0 s GLN 988 CO 0.62 -0.56 0.98 -1.25 -0.25 0.00 0.00 175.29 174.83 2wc0 s PRO 989 N 2.11 3.97 -0.08 2.91 0.04 -1.26 -4.90 135.00 137.79 2wc0 s PRO 989 Ca 0.66 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2wc0 s PRO 989 Cb -0.34 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2wc0 s PRO 989 CO 0.28 -0.25 0.98 -2.00 0.04 0.00 0.00 177.00 176.05 2wc0 s GLU 990 N -3.87 4.45 -0.31 4.56 2.12 -0.62 -4.90 118.70 120.14 2wc0 s GLU 990 Ca 0.60 1.37 -0.15 0.00 0.36 0.00 0.00 54.97 57.14 2wc0 s GLU 990 Cb -0.10 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 2wc0 s GLU 990 CO 0.28 -0.23 0.39 0.08 -0.54 0.00 0.00 175.26 175.23 2wc0 s VAL 991 N 1.71 5.15 -0.01 3.70 1.01 -1.26 -2.24 120.40 128.46 2wc0 s VAL 991 Ca 0.48 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 2wc0 s VAL 991 Cb -0.19 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2wc0 s VAL 991 CO 0.20 0.02 1.64 -0.63 0.00 0.00 0.00 175.10 176.34 2wc0 s ILE 992 N 2.09 3.43 -0.14 2.22 1.01 -0.22 -4.90 121.20 124.70 2wc0 s ILE 992 Ca 0.14 0.66 0.18 0.00 0.00 0.00 0.00 60.65 61.63 2wc0 s ILE 992 Cb -0.16 -3.43 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 2wc0 s ILE 992 CO 0.11 -0.04 0.79 0.00 0.00 0.00 0.00 174.94 175.81 2wc0 n GLN 993 N 6.56 0.62 -3.66 2.79 3.00 -1.26 -4.72 117.38 120.71 2wc0 n GLN 993 Ca 0.17 0.17 -0.08 0.00 -0.01 0.00 0.00 57.00 57.25 2wc0 n GLN 993 Cb 0.42 -1.78 -0.09 0.00 0.00 0.00 0.00 30.24 28.79 2wc0 n GLN 993 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2wc0 s ASN 994 N -5.62 -0.45 0.23 1.08 3.84 -1.26 -5.06 114.94 107.69 2wc0 s ASN 994 Ca -0.03 1.07 -0.08 0.00 0.21 0.00 0.00 52.86 54.02 2wc0 s ASN 994 Cb 0.09 1.34 0.20 0.00 -0.55 0.00 0.00 41.25 42.33 2wc0 s ASN 994 CO 0.82 -0.22 1.90 0.24 -2.79 0.00 0.00 177.10 177.04 2wc0 h MET 995 N 7.86 1.16 -0.03 0.43 2.86 -1.99 -0.87 114.93 124.35 2wc0 h MET 995 Ca -0.21 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2wc0 h MET 995 Cb 1.13 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 2wc0 h MET 995 CO 0.16 0.78 0.01 1.15 1.06 0.00 0.00 176.91 180.06 2wc0 h THR 996 N 1.19 1.21 -0.58 2.22 2.02 -1.97 0.64 112.91 117.64 2wc0 h THR 996 Ca 0.32 -0.62 0.12 0.00 0.77 0.00 0.00 66.41 66.99 2wc0 h THR 996 Cb -0.12 1.57 -0.11 0.00 -1.74 0.00 0.00 68.15 67.76 2wc0 h THR 996 CO -0.07 0.17 -0.12 -0.33 0.37 0.00 0.00 175.52 175.54 2wc0 h GLU 997 N -0.20 0.02 0.11 6.66 5.08 -1.92 -0.52 114.58 123.82 2wc0 h GLU 997 Ca 0.01 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2wc0 h GLU 997 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2wc0 h GLU 997 CO 0.00 0.01 -0.16 0.35 -1.00 0.00 0.00 179.01 178.21 2wc0 h PHE 998 N 0.02 -0.42 -0.76 4.33 3.57 -0.78 -1.57 116.94 121.32 2wc0 h PHE 998 Ca 0.28 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2wc0 h PHE 998 Cb 0.44 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 2wc0 h PHE 998 CO -0.45 -0.24 0.45 0.87 -2.23 0.00 0.00 178.31 176.71 2wc0 h LYS 999 N -0.33 0.81 -0.00 1.11 1.57 -0.53 -2.93 116.57 116.27 2wc0 h LYS 999 Ca 0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2wc0 h LYS 999 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2wc0 h LYS 999 CO -0.08 0.54 -0.29 0.00 -0.57 0.00 0.00 179.45 179.05 2wc0 h ARG 1000N 0.84 0.00 -0.13 3.15 3.08 -0.64 -2.34 114.38 118.33 2wc0 h ARG 1000Ca 0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2wc0 h ARG 1000Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wc0 h ARG 1000CO -0.17 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 2wc0 n GLY 1001N -0.71 -0.22 3.36 0.04 0.00 -0.63 -4.89 105.19 102.14 2wc0 n GLY 1001Ca -0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 2wc0 n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc0 s LEU 1002N -1.35 2.11 0.82 0.99 1.43 -0.88 -5.08 118.68 116.72 2wc0 s LEU 1002Ca 0.23 -1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 51.93 2wc0 s LEU 1002Cb 0.12 -0.27 0.08 0.00 0.03 0.00 0.00 46.19 46.15 2wc0 s LEU 1002CO 0.18 -0.56 1.11 -2.84 0.23 0.00 0.00 176.35 174.46 2wc0 s PRO 1003N -3.89 1.92 -0.05 1.29 0.02 -1.26 -4.84 135.00 128.18 2wc0 s PRO 1003Ca 0.32 0.56 -0.00 0.00 0.02 0.00 0.00 61.00 61.90 2wc0 s PRO 1003Cb 0.07 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 2wc0 s PRO 1003CO 0.11 -1.72 -0.01 -0.51 -0.33 0.00 0.00 177.00 174.55 2wc0 s LEU 1004N -5.82 3.51 0.92 -5.54 1.43 -1.26 -0.17 118.68 111.76 2wc0 s LEU 1004Ca 0.61 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.68 2wc0 s LEU 1004Cb -0.14 -1.87 0.15 0.00 0.03 0.00 0.00 46.19 44.35 2wc0 s LEU 1004CO 0.54 0.34 1.13 -0.36 0.23 0.00 0.00 176.35 178.23 2wc0 s PHE 1005N -0.95 1.68 0.97 0.29 0.40 0.18 -4.82 117.98 115.73 2wc0 s PHE 1005Ca 0.15 1.72 -0.11 0.00 -0.60 0.00 0.00 56.93 58.10 2wc0 s PHE 1005Cb -0.11 -3.30 0.17 0.00 0.51 0.00 0.00 43.02 40.28 2wc0 s PHE 1005CO 0.05 -2.82 1.05 -2.30 0.70 0.00 0.00 175.22 171.91 2wc0 n PRO 1006N -4.23 -0.85 -2.79 0.24 -0.02 -1.26 -4.70 135.00 121.39 2wc0 n PRO 1006Ca 0.11 -0.19 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 2wc0 n PRO 1006Cb 0.52 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 2wc0 n PRO 1006CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wc0 s LEU 1007N -6.27 4.40 0.88 2.45 2.01 -1.26 -4.85 118.68 116.03 2wc0 s LEU 1007Ca 0.66 1.84 -0.11 0.00 0.01 0.00 0.00 54.13 56.53 2wc0 s LEU 1007Cb -0.23 -3.92 0.12 0.00 0.01 0.00 0.00 46.19 42.17 2wc0 s LEU 1007CO 0.60 -0.02 1.16 0.52 1.01 0.00 0.00 176.35 179.62 2wc0 n VAL 1008N 0.75 0.78 -3.30 -1.59 0.31 -1.26 -4.98 118.33 109.04 2wc0 n VAL 1008Ca 0.01 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 2wc0 n VAL 1008Cb 0.49 -1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 2wc0 n VAL 1008CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wc0 s LYS 1009N -4.42 4.25 0.23 5.55 1.02 -1.26 -5.04 119.74 120.07 2wc0 s LYS 1009Ca 0.69 0.56 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 2wc0 s LYS 1009Cb -0.25 -3.36 -0.16 0.00 -0.52 0.00 0.00 37.83 33.55 2wc0 s LYS 1009CO 0.55 0.35 0.89 -2.30 -0.92 0.00 0.00 175.35 173.93 2wc0 n PRO 1010N 2.92 0.84 -1.95 -1.68 -0.02 -1.26 -4.80 135.00 129.05 2wc0 n PRO 1010Ca -0.08 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 2wc0 n PRO 1010Cb 0.51 -1.59 0.08 0.00 -0.02 0.00 0.00 33.50 32.49 2wc0 n PRO 1010CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2wc0 s HIS 1011N -0.82 3.02 0.00 6.00 2.46 -0.55 -5.03 115.29 120.37 2wc0 s HIS 1011Ca 0.65 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.93 2wc0 s HIS 1011Cb -0.83 -3.36 0.00 0.00 -0.13 0.00 0.00 32.58 28.26 2wc0 s HIS 1011CO 0.57 -1.60 0.00 1.51 -2.47 0.00 0.00 174.74 172.75