#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc0 s ASN 44 N 0.00 1.48 0.46 1.20 3.84 -1.26 -5.06 114.94 115.59 2wc0 s ASN 44 Ca 0.00 -0.12 0.19 0.00 0.21 0.00 0.00 52.86 53.14 2wc0 s ASN 44 Cb 0.00 -0.49 1.10 0.00 -0.55 0.00 0.00 41.25 41.31 2wc0 s ASN 44 CO 0.00 -0.15 1.98 1.55 -2.79 0.00 0.00 177.10 177.69 2wc0 h PRO 45 N 7.99 0.00 0.00 0.43 0.13 -2.05 -3.13 132.00 135.37 2wc0 h PRO 45 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 2wc0 h PRO 45 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2wc0 h PRO 45 CO 0.34 0.21 -0.22 0.00 -0.23 0.00 0.00 178.00 178.09 2wc0 h ALA 46 N 1.79 0.94 -2.94 -0.56 0.00 -2.00 -3.43 119.26 113.07 2wc0 h ALA 46 Ca -0.00 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 54.06 2wc0 h ALA 46 Cb 0.42 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.97 2wc0 h ALA 46 CO 0.03 0.28 -0.58 0.42 0.00 0.00 0.00 179.25 179.40 2wc0 s ILE 47 N -3.43 4.75 0.32 0.00 1.01 -1.18 0.13 121.20 122.80 2wc0 s ILE 47 Ca 0.02 -0.02 0.37 0.00 0.00 0.00 0.00 60.65 61.02 2wc0 s ILE 47 Cb 0.09 -3.24 0.40 0.00 0.01 0.00 0.00 42.46 39.71 2wc0 s ILE 47 CO 0.66 0.30 2.12 0.50 0.00 0.00 0.00 174.94 178.52 2wc0 h LYS 48 N 8.26 0.00 -1.62 2.79 3.64 -0.75 -3.42 116.57 125.47 2wc0 h LYS 48 Ca -0.37 0.00 0.37 0.00 -1.27 0.00 0.00 60.65 59.38 2wc0 h LYS 48 Cb 1.18 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.90 2wc0 h LYS 48 CO 0.57 0.02 0.94 -0.98 -2.27 0.00 0.00 179.45 177.72 2wc0 s ARG 49 N -3.88 0.21 0.04 1.90 1.70 -1.12 -4.97 118.95 112.82 2wc0 s ARG 49 Ca -0.01 -0.12 0.08 0.00 -0.47 0.00 0.00 55.73 55.20 2wc0 s ARG 49 Cb 0.11 0.06 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2wc0 s ARG 49 CO 0.50 -0.10 -0.22 0.42 -1.08 0.00 0.00 175.30 174.83 2wc0 s ILE 50 N -2.11 1.76 0.82 4.99 1.09 -1.26 -3.63 121.20 122.87 2wc0 s ILE 50 Ca 0.22 -1.20 -0.07 0.00 -1.10 0.00 0.00 60.65 58.51 2wc0 s ILE 50 Cb 0.03 -1.52 0.16 0.00 -1.06 0.00 0.00 42.46 40.07 2wc0 s ILE 50 CO -0.04 0.28 1.13 -0.83 -0.10 0.00 0.00 174.94 175.38 2wc0 s GLY 51 N -1.09 1.77 0.83 6.18 0.00 -0.86 -4.95 107.32 109.20 2wc0 s GLY 51 Ca 0.08 -1.52 -0.14 0.00 0.00 0.00 0.00 44.72 43.14 2wc0 s GLY 51 CO 0.01 -0.88 0.84 0.70 0.00 0.00 0.00 173.10 173.78 2wc0 n ASN 52 N -3.20 -1.21 -4.53 1.64 5.03 -1.26 -4.82 115.26 106.90 2wc0 n ASN 52 Ca 0.15 -1.09 -0.53 0.00 0.87 0.00 0.00 54.58 53.98 2wc0 n ASN 52 Cb 0.60 -0.72 -0.06 0.00 -1.02 0.00 0.00 39.78 38.58 2wc0 n ASN 52 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2wc0 n HIS 53 N -3.92 0.90 -3.45 3.10 -0.00 -1.26 -4.74 115.22 105.84 2wc0 n HIS 53 Ca 0.11 0.83 -0.38 0.00 -0.00 0.00 0.00 57.72 58.28 2wc0 n HIS 53 Cb 0.42 -2.19 -0.09 0.00 -0.00 0.00 0.00 29.99 28.13 2wc0 n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2wc0 s ILE 54 N -0.09 5.22 0.04 3.57 1.09 -1.26 -4.73 121.20 125.04 2wc0 s ILE 54 Ca 0.80 0.50 -0.30 0.00 -1.10 0.00 0.00 60.65 60.55 2wc0 s ILE 54 Cb -1.02 -3.66 -0.07 0.00 -1.06 0.00 0.00 42.46 36.65 2wc0 s ILE 54 CO 0.53 0.22 1.61 -0.89 -0.10 0.00 0.00 174.94 176.31 2wc0 s THR 55 N 1.71 3.23 0.24 2.92 2.01 -0.94 -4.96 115.64 119.85 2wc0 s THR 55 Ca 0.14 0.62 0.05 0.00 0.31 0.00 0.00 61.69 62.81 2wc0 s THR 55 Cb -0.15 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 2wc0 s THR 55 CO 0.09 -0.01 -0.05 -1.59 -0.69 0.00 0.00 174.62 172.36 2wc0 s LYS 56 N 2.80 1.39 0.56 4.92 -2.85 -1.26 -4.44 119.74 120.87 2wc0 s LYS 56 Ca 0.72 -1.69 -0.19 0.00 -1.00 0.00 0.00 55.97 53.82 2wc0 s LYS 56 Cb -0.37 -0.90 -0.05 0.00 -2.06 0.00 0.00 37.83 34.44 2wc0 s LYS 56 CO 0.31 0.01 1.16 0.45 0.10 0.00 0.00 175.35 177.38 2wc0 s SER 57 N -3.35 5.50 0.00 0.03 0.15 -1.26 -4.88 113.70 109.89 2wc0 s SER 57 Ca 0.27 2.26 0.19 0.00 0.70 0.00 0.00 55.95 59.36 2wc0 s SER 57 Cb 0.04 -2.59 0.81 0.00 -1.71 0.00 0.00 66.02 62.57 2wc0 s SER 57 CO 0.09 -1.37 1.61 -0.81 1.20 0.00 0.00 173.24 173.95 2wc0 n PRO 58 N -1.43 0.00 0.13 5.44 -0.05 -1.26 -0.89 135.00 136.94 2wc0 n PRO 58 Ca 0.12 0.17 0.12 0.00 -0.05 0.00 0.00 63.50 63.87 2wc0 n PRO 58 Cb 0.50 -1.50 0.47 0.00 -0.05 0.00 0.00 33.50 32.92 2wc0 n PRO 58 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2wc0 n GLU 59 N -1.50 0.22 -2.83 0.54 -0.58 -1.26 -4.83 120.64 110.41 2wc0 n GLU 59 Ca 0.05 0.36 -0.42 0.00 -0.42 0.00 0.00 57.16 56.73 2wc0 n GLU 59 Cb 0.22 -1.87 -0.04 0.00 -0.57 0.00 0.00 31.44 29.19 2wc0 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wc0 s ASP 60 N -4.38 6.74 0.06 1.62 -1.08 -0.07 -4.87 116.67 114.69 2wc0 s ASP 60 Ca 0.06 0.73 0.25 0.00 -0.52 0.00 0.00 52.55 53.07 2wc0 s ASP 60 Cb 0.10 -2.46 0.42 0.00 -1.46 0.00 0.00 42.92 39.52 2wc0 s ASP 60 CO 0.46 -0.75 1.36 0.29 0.52 0.00 0.00 175.17 177.05 2wc0 n LYS 61 N 6.53 0.17 -0.72 4.34 5.02 -1.26 -4.84 118.16 127.39 2wc0 n LYS 61 Ca 0.07 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 2wc0 n LYS 61 Cb 0.48 -1.60 0.16 0.00 -0.02 0.00 0.00 35.03 34.05 2wc0 n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wc0 s ARG 62 N -3.10 1.07 0.08 1.97 0.52 -1.26 -5.01 118.95 113.22 2wc0 s ARG 62 Ca 0.08 1.55 0.08 0.00 -0.52 0.00 0.00 55.73 56.92 2wc0 s ARG 62 Cb 0.15 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 33.86 2wc0 s ARG 62 CO 0.71 -2.60 -0.21 -2.00 0.02 0.00 0.00 175.30 171.22 2wc0 s GLU 63 N -4.64 1.25 -0.02 3.54 2.12 0.47 -4.97 118.70 116.46 2wc0 s GLU 63 Ca 0.67 -1.07 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 2wc0 s GLU 63 Cb -0.23 -1.46 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2wc0 s GLU 63 CO 0.58 0.35 0.05 0.71 -0.54 0.00 0.00 175.26 176.41 2wc0 s TYR 64 N -1.00 -0.04 -0.09 5.30 1.51 -1.26 0.02 117.35 121.78 2wc0 s TYR 64 Ca 0.07 0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.21 2wc0 s TYR 64 Cb -0.09 0.01 0.05 0.00 -0.11 0.00 0.00 41.96 41.81 2wc0 s TYR 64 CO 0.03 -0.04 0.18 0.50 -1.11 0.00 0.00 175.55 175.12 2wc0 s ARG 65 N -0.04 0.10 0.21 -0.62 3.52 -0.87 -4.63 118.95 116.62 2wc0 s ARG 65 Ca -0.01 0.51 0.04 0.00 -0.13 0.00 0.00 55.73 56.14 2wc0 s ARG 65 Cb -0.01 -0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 2wc0 s ARG 65 CO 0.00 -0.23 0.34 0.20 -0.81 0.00 0.00 175.30 174.81 2wc0 s GLY 66 N 1.71 1.39 0.01 8.12 0.00 -1.26 0.59 107.32 117.88 2wc0 s GLY 66 Ca -0.04 -1.14 -0.29 0.00 0.00 0.00 0.00 44.72 43.24 2wc0 s GLY 66 CO -0.07 -1.15 1.11 0.48 0.00 0.00 0.00 173.10 173.47 2wc0 s LEU 67 N -3.74 -0.15 -0.12 0.66 2.34 0.77 -2.02 118.68 116.41 2wc0 s LEU 67 Ca 0.35 -0.17 0.01 0.00 0.06 0.00 0.00 54.13 54.37 2wc0 s LEU 67 Cb -0.10 1.72 0.02 0.00 -0.56 0.00 0.00 46.19 47.27 2wc0 s LEU 67 CO 0.29 -0.52 -0.13 -0.70 -1.06 0.00 0.00 176.35 174.23 2wc0 s GLU 68 N -2.79 2.09 0.86 1.48 2.12 -1.24 -0.51 118.70 120.72 2wc0 s GLU 68 Ca 0.11 -0.49 -0.11 0.00 0.36 0.00 0.00 54.97 54.84 2wc0 s GLU 68 Cb 0.01 -1.90 0.11 0.00 0.26 0.00 0.00 34.13 32.61 2wc0 s GLU 68 CO -0.03 -0.17 1.09 -0.51 -0.54 0.00 0.00 175.26 175.10 2wc0 s LEU 69 N 1.33 2.47 0.30 2.70 1.43 -0.03 -0.27 118.68 126.61 2wc0 s LEU 69 Ca 0.00 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2wc0 s LEU 69 Cb -0.14 -4.07 0.59 0.00 0.03 0.00 0.00 46.19 42.61 2wc0 s LEU 69 CO -0.07 -2.46 1.87 0.00 0.23 0.00 0.00 176.35 175.93 2wc0 h ALA 70 N -1.42 1.57 0.00 4.21 0.00 0.81 0.14 119.26 124.57 2wc0 h ALA 70 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wc0 h ALA 70 Cb 1.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wc0 h ALA 70 CO 0.54 0.22 0.00 0.27 0.00 0.00 0.00 179.25 180.28 2wc0 n ASN 71 N -4.56 0.00 0.00 0.00 0.23 -1.26 -4.86 115.26 104.81 2wc0 n ASN 71 Ca 0.17 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 2wc0 n ASN 71 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.92 0.51 3.72 4.83 0.00 0.50 -3.67 105.19 112.01 2wc0 n GLY 72 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2wc0 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc0 s ILE 73 N -2.00 3.14 -0.01 -0.61 1.01 -1.21 -4.66 121.20 116.85 2wc0 s ILE 73 Ca 0.00 0.84 -0.22 0.00 0.00 0.00 0.00 60.65 61.27 2wc0 s ILE 73 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2wc0 s ILE 73 CO 0.00 0.08 0.67 -0.54 0.00 0.00 0.00 174.94 175.14 2wc0 s LYS 74 N 0.84 4.40 -0.07 2.79 1.02 -0.77 -0.85 119.74 127.10 2wc0 s LYS 74 Ca 0.64 0.85 0.01 0.00 0.02 0.00 0.00 55.97 57.49 2wc0 s LYS 74 Cb -0.38 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 2wc0 s LYS 74 CO 0.32 0.25 -0.09 0.08 -0.92 0.00 0.00 175.35 174.99 2wc0 s VAL 75 N 0.17 0.95 -0.16 3.17 1.01 0.34 -0.77 120.40 125.10 2wc0 s VAL 75 Ca 0.35 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 2wc0 s VAL 75 Cb -0.19 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2wc0 s VAL 75 CO 0.19 0.32 0.09 -0.22 0.00 0.00 0.00 175.10 175.48 2wc0 s LEU 76 N 0.98 4.03 -0.13 3.92 1.98 -0.56 -0.16 118.68 128.73 2wc0 s LEU 76 Ca -0.09 0.21 -0.03 0.00 -2.89 0.00 0.00 54.13 51.33 2wc0 s LEU 76 Cb -0.15 -2.01 -0.03 0.00 0.66 0.00 0.00 46.19 44.67 2wc0 s LEU 76 CO 0.00 0.25 -0.04 -0.76 -1.89 0.00 0.00 176.35 173.91 2wc0 s LEU 77 N -0.05 3.29 -0.15 -0.68 1.43 0.20 -2.06 118.68 120.66 2wc0 s LEU 77 Ca 0.08 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2wc0 s LEU 77 Cb -0.12 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2wc0 s LEU 77 CO 0.00 0.23 -0.16 -0.63 0.23 0.00 0.00 176.35 176.03 2wc0 s ILE 78 N 0.01 1.68 -0.21 -0.59 1.01 0.11 -2.05 121.20 121.16 2wc0 s ILE 78 Ca 0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 2wc0 s ILE 78 Cb -0.13 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 2wc0 s ILE 78 CO 0.03 0.48 0.01 -0.55 0.00 0.00 0.00 174.94 174.91 2wc0 s SER 79 N 1.42 4.88 -0.40 3.58 0.15 0.10 -1.68 113.70 121.75 2wc0 s SER 79 Ca 0.04 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.50 2wc0 s SER 79 Cb -0.13 -1.84 0.14 0.00 -1.71 0.00 0.00 66.02 62.48 2wc0 s SER 79 CO -0.11 0.04 0.25 -0.62 1.20 0.00 0.00 173.24 174.01 2wc0 s ASP 80 N 1.13 3.03 0.18 5.45 -1.08 -0.94 -0.39 116.67 124.05 2wc0 s ASP 80 Ca 0.03 -2.53 0.18 0.00 -0.52 0.00 0.00 52.55 49.71 2wc0 s ASP 80 Cb -0.14 -0.67 0.82 0.00 -1.46 0.00 0.00 42.92 41.47 2wc0 s ASP 80 CO 0.02 -0.26 1.56 -2.65 0.52 0.00 0.00 175.17 174.35 2wc0 n PRO 81 N 3.61 0.11 0.00 4.34 -0.02 -1.26 -1.08 135.00 140.70 2wc0 n PRO 81 Ca 0.14 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2wc0 n PRO 81 Cb 0.38 -1.76 0.30 0.00 -0.02 0.00 0.00 33.50 32.40 2wc0 n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wc0 n THR 82 N -1.98 0.00 -2.39 3.45 -2.24 -1.26 -4.87 114.28 104.99 2wc0 n THR 82 Ca 0.01 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 2wc0 n THR 82 Cb 0.15 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 2wc0 n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wc0 s THR 83 N -2.21 3.37 -0.06 4.28 -1.32 -0.24 -4.97 115.64 114.49 2wc0 s THR 83 Ca 0.29 1.12 -0.21 0.00 -1.21 0.00 0.00 61.69 61.67 2wc0 s THR 83 Cb 0.20 -3.61 -0.30 0.00 -1.51 0.00 0.00 72.50 67.28 2wc0 s THR 83 CO 0.41 0.07 0.82 0.44 -2.21 0.00 0.00 174.62 174.15 2wc0 h ASP 84 N 2.61 0.43 -3.53 8.08 3.32 -1.94 -3.46 116.42 121.94 2wc0 h ASP 84 Ca -0.48 -0.93 -0.67 0.00 0.02 0.00 0.00 57.03 54.96 2wc0 h ASP 84 Cb 1.23 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.48 2wc0 h ASP 84 CO 0.62 1.42 -0.69 -0.54 -1.72 0.00 0.00 179.24 178.34 2wc0 s LYS 85 N -2.43 2.57 0.42 3.56 1.02 -1.26 -1.99 119.74 121.64 2wc0 s LYS 85 Ca -0.15 -0.73 0.08 0.00 0.02 0.00 0.00 55.97 55.18 2wc0 s LYS 85 Cb 0.01 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2wc0 s LYS 85 CO 0.81 0.59 0.52 -1.12 -0.92 0.00 0.00 175.35 175.24 2wc0 s SER 86 N -1.60 5.48 0.01 2.83 0.01 0.14 -4.78 113.70 115.80 2wc0 s SER 86 Ca 0.19 -0.52 -0.26 0.00 1.31 0.00 0.00 55.95 56.66 2wc0 s SER 86 Cb -0.11 -0.60 0.06 0.00 0.21 0.00 0.00 66.02 65.58 2wc0 s SER 86 CO 0.10 -0.75 0.60 -0.55 0.41 0.00 0.00 173.24 173.04 2wc0 s SER 87 N -4.30 -0.55 0.11 2.44 0.15 -0.65 -0.76 113.70 110.13 2wc0 s SER 87 Ca 0.53 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.52 2wc0 s SER 87 Cb -0.08 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2wc0 s SER 87 CO 0.32 -0.69 0.16 0.00 1.20 0.00 0.00 173.24 174.23 2wc0 s ALA 88 N -1.99 0.09 0.06 5.45 0.00 -0.85 -1.20 121.76 123.33 2wc0 s ALA 88 Ca -0.07 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 2wc0 s ALA 88 Cb -0.01 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2wc0 s ALA 88 CO 0.02 -0.52 0.26 0.00 0.00 0.00 0.00 175.76 175.52 2wc0 s ALA 89 N -3.92 -0.50 -0.01 0.00 0.00 -0.74 -1.57 121.76 115.02 2wc0 s ALA 89 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2wc0 s ALA 89 Cb 0.05 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2wc0 s ALA 89 CO -0.06 -0.45 -0.00 -1.17 0.00 0.00 0.00 175.76 174.08 2wc0 s LEU 90 N -2.37 1.72 -0.10 0.00 0.20 0.69 -1.64 118.68 117.18 2wc0 s LEU 90 Ca -0.01 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.81 2wc0 s LEU 90 Cb 0.01 -0.08 0.01 0.00 -0.43 0.00 0.00 46.19 45.70 2wc0 s LEU 90 CO -0.06 -0.03 -0.15 -0.62 -0.29 0.00 0.00 176.35 175.20 2wc0 s ASP 91 N 0.31 2.38 -0.19 3.68 2.15 0.50 -0.62 116.67 124.88 2wc0 s ASP 91 Ca -0.03 -0.41 -0.08 0.00 0.43 0.00 0.00 52.55 52.46 2wc0 s ASP 91 Cb -0.04 -1.06 -0.04 0.00 -0.30 0.00 0.00 42.92 41.47 2wc0 s ASP 91 CO -0.01 0.02 0.07 -0.69 -0.17 0.00 0.00 175.17 174.39 2wc0 s VAL 92 N 0.94 4.77 0.00 1.11 1.01 0.17 -1.16 120.40 127.26 2wc0 s VAL 92 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2wc0 s VAL 92 Cb -0.15 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 2wc0 s VAL 92 CO -0.01 0.44 2.40 1.57 0.00 0.00 0.00 175.10 179.50 2wc0 n HIS 93 N 3.73 0.00 -4.10 5.22 -0.00 -0.02 -0.06 115.22 119.99 2wc0 n HIS 93 Ca -0.16 -1.01 -0.15 0.00 0.46 0.00 0.00 57.72 56.86 2wc0 n HIS 93 Cb 0.52 -0.99 -0.14 0.00 -0.12 0.00 0.00 29.99 29.26 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 1.09 0.39 0.00 3.57 -1.09 -0.84 -4.71 121.20 119.61 2wc0 s ILE 94 Ca 0.32 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 2wc0 s ILE 94 Cb 0.15 -0.37 0.00 0.00 -1.58 0.00 0.00 42.46 40.67 2wc0 s ILE 94 CO 0.00 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 2wc0 n GLY 95 N 2.60 3.57 0.24 6.18 0.00 -1.21 -1.89 105.19 114.68 2wc0 n GLY 95 Ca -0.15 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 0.29 1.61 4.64 -1.09 0.17 113.55 119.17 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 -0.07 -0.87 0.00 0.00 176.83 175.89 2wc0 h LEU 97 N 0.00 0.00 -3.12 5.97 4.07 -1.55 -0.15 115.31 120.53 2wc0 h LEU 97 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wc0 h LEU 97 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2wc0 h LEU 97 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 2wc0 n SER 98 N -2.87 4.75 -4.77 -0.43 7.64 0.58 -4.90 113.62 113.62 2wc0 n SER 98 Ca -0.01 -2.43 -0.37 0.00 1.01 0.00 0.00 58.87 57.06 2wc0 n SER 98 Cb 0.13 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.92 6.40 0.34 6.43 -0.00 -0.07 -4.96 116.67 123.88 2wc0 s ASP 99 Ca 0.51 2.26 -0.28 0.00 -0.00 0.00 0.00 52.55 55.03 2wc0 s ASP 99 Cb 0.33 -2.60 -0.12 0.00 -0.00 0.00 0.00 42.92 40.52 2wc0 s ASP 99 CO 0.25 -0.75 1.35 -2.65 -0.00 0.00 0.00 175.17 173.37 2wc0 n PRO 100 N -0.24 2.24 0.31 8.23 -0.02 -1.26 -4.78 135.00 139.49 2wc0 n PRO 100 Ca 0.06 0.79 0.20 0.00 -2.02 0.00 0.00 63.50 62.52 2wc0 n PRO 100 Cb 0.48 -2.41 1.05 0.00 -0.02 0.00 0.00 33.50 32.60 2wc0 n PRO 100 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wc0 h PRO 101 N 2.89 0.00 -0.42 0.52 0.11 -1.98 -1.39 132.00 131.73 2wc0 h PRO 101 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wc0 h PRO 101 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wc0 h PRO 101 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 2wc0 n ASN 102 N -2.91 4.61 -2.95 -2.05 2.04 -1.26 -4.60 115.26 108.15 2wc0 n ASN 102 Ca -0.03 -2.87 -0.15 0.00 -0.44 0.00 0.00 54.58 51.09 2wc0 n ASN 102 Cb 0.13 -0.58 -0.00 0.00 -2.53 0.00 0.00 39.78 36.79 2wc0 n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2wc0 n ILE 103 N 0.13 -0.31 -1.86 1.53 5.41 -0.52 -4.93 119.36 118.81 2wc0 n ILE 103 Ca 0.24 -2.57 -0.41 0.00 1.00 0.00 0.00 62.75 61.00 2wc0 n ILE 103 Cb 0.98 -0.01 -0.02 0.00 -0.71 0.00 0.00 39.64 39.88 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 -0.09 3.68 0.00 -1.39 0.00 -1.26 -1.76 121.76 120.94 2wc0 s ALA 104 Ca 0.33 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2wc0 s ALA 104 Cb 0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2wc0 s ALA 104 CO -0.19 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.07 2wc0 n GLY 105 N 1.86 0.65 0.37 0.00 0.00 -1.22 -4.32 105.19 102.52 2wc0 n GLY 105 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 0.73 -0.04 0.99 5.85 -1.65 -0.08 115.31 121.10 2wc0 h LEU 106 Ca 0.00 0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 2wc0 h LEU 106 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2wc0 h LEU 106 CO 0.00 0.39 -1.05 0.77 -0.34 0.00 0.00 178.44 178.21 2wc0 h SER 107 N 0.78 0.22 -0.92 1.25 4.64 -1.90 0.34 113.55 117.96 2wc0 h SER 107 Ca 0.44 -0.22 0.06 0.00 -0.47 0.00 0.00 61.79 61.60 2wc0 h SER 107 Cb 0.59 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 2wc0 h SER 107 CO -0.20 1.12 0.58 -0.74 -0.87 0.00 0.00 176.83 176.72 2wc0 h HIS 108 N 0.06 1.07 -0.30 4.77 -0.00 -1.65 -1.87 115.15 117.23 2wc0 h HIS 108 Ca -0.06 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.21 2wc0 h HIS 108 Cb 1.76 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.82 2wc0 h HIS 108 CO 0.03 0.54 -0.32 0.35 -0.00 0.00 0.00 177.93 178.54 2wc0 h PHE 109 N 1.05 0.90 -1.00 5.26 3.57 -0.81 -1.54 116.94 124.37 2wc0 h PHE 109 Ca 0.40 -0.28 0.15 0.00 3.53 0.00 0.00 57.97 61.77 2wc0 h PHE 109 Cb 0.18 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 2wc0 h PHE 109 CO -0.02 1.04 0.62 1.25 -2.23 0.00 0.00 178.31 178.97 2wc0 h LEU 110 N 0.51 0.85 -0.62 0.59 6.46 -0.68 -1.39 115.31 121.02 2wc0 h LEU 110 Ca 0.05 0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.74 2wc0 h LEU 110 Cb 0.90 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2wc0 h LEU 110 CO 0.08 0.40 -0.29 -0.61 -0.62 0.00 0.00 178.44 177.39 2wc0 h GLN 111 N 0.88 0.77 -0.43 1.25 -0.00 -0.47 -0.32 115.11 116.79 2wc0 h GLN 111 Ca 0.53 -0.35 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2wc0 h GLN 111 Cb 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 2wc0 h GLN 111 CO -0.31 0.96 0.26 0.45 0.00 0.00 0.00 178.83 180.20 2wc0 h HIS 112 N 0.66 0.57 -0.36 3.99 3.86 -0.49 -3.18 115.15 120.19 2wc0 h HIS 112 Ca 0.08 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 2wc0 h HIS 112 Cb 0.82 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 2wc0 h HIS 112 CO 0.04 0.40 -0.04 0.52 0.86 0.00 0.00 177.93 179.71 2wc0 h MET 113 N 0.57 0.59 -0.18 2.45 2.86 -0.22 -2.72 114.93 118.28 2wc0 h MET 113 Ca 0.15 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2wc0 h MET 113 Cb -0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2wc0 h MET 113 CO -0.03 0.64 0.23 -0.07 1.06 0.00 0.00 176.91 178.74 2wc0 h LEU 114 N 0.55 0.00 0.00 1.22 3.38 -1.09 -0.93 115.31 118.45 2wc0 h LEU 114 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wc0 h LEU 114 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2wc0 h LEU 114 CO 0.02 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.04 2wc0 n PHE 115 N -3.69 0.00 -1.53 1.13 3.01 -1.02 -4.07 117.46 111.29 2wc0 n PHE 115 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 2wc0 n PHE 115 Cb 0.35 -0.10 0.20 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.10 3.66 0.00 4.37 4.77 -0.35 -4.70 117.00 123.65 2wc0 n LEU 116 Ca 0.18 -3.86 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 2wc0 n LEU 116 Cb 0.13 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2wc0 n LEU 116 CO 0.17 1.34 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 2wc0 n GLY 117 N -1.12 4.04 3.36 -0.72 0.00 -1.25 -4.53 105.19 104.98 2wc0 n GLY 117 Ca 0.29 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.99 0.85 0.25 2.61 -4.23 -0.36 -0.54 115.64 113.24 2wc0 s THR 118 Ca 0.00 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2wc0 s THR 118 Cb 0.00 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.44 2wc0 s THR 118 CO 0.00 -0.07 1.72 0.50 -0.54 0.00 0.00 174.62 176.23 2wc0 h LYS 119 N 2.32 0.41 0.04 3.99 3.64 -1.50 -0.70 116.57 124.76 2wc0 h LYS 119 Ca -0.39 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 58.74 2wc0 h LYS 119 Cb 1.24 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2wc0 h LYS 119 CO 0.64 0.27 -1.00 0.87 -2.27 0.00 0.00 179.45 177.97 2wc0 h LYS 120 N 0.42 0.20 -2.70 1.90 1.57 -1.96 -3.38 116.57 112.62 2wc0 h LYS 120 Ca 0.43 -0.27 -0.60 0.00 -1.87 0.00 0.00 60.65 58.34 2wc0 h LYS 120 Cb 0.69 0.09 -0.40 0.00 0.08 0.00 0.00 32.23 32.69 2wc0 h LYS 120 CO -0.43 1.04 -0.79 0.71 -0.57 0.00 0.00 179.45 179.42 2wc0 s TYR 121 N -2.98 2.26 -0.15 -1.35 1.51 -0.83 -4.96 117.35 110.85 2wc0 s TYR 121 Ca -0.03 -2.81 0.30 0.00 -1.01 0.00 0.00 57.07 53.52 2wc0 s TYR 121 Cb 0.09 -1.76 1.12 0.00 -0.11 0.00 0.00 41.96 41.30 2wc0 s TYR 121 CO 0.84 -0.69 1.86 -1.00 -1.11 0.00 0.00 175.55 175.46 2wc0 h PRO 122 N 5.52 0.00 -6.67 -1.71 0.13 -1.34 -0.95 132.00 126.97 2wc0 h PRO 122 Ca 0.21 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.82 2wc0 h PRO 122 Cb 0.84 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.03 2wc0 h PRO 122 CO 0.53 0.00 0.99 0.21 -0.23 0.00 0.00 178.00 179.50 2wc0 s LYS 123 N -3.50 4.13 0.30 0.86 2.20 -1.26 -4.63 119.74 117.84 2wc0 s LYS 123 Ca 0.03 2.58 0.07 0.00 -0.36 0.00 0.00 55.97 58.29 2wc0 s LYS 123 Cb 0.09 -3.07 0.78 0.00 -1.51 0.00 0.00 37.83 34.11 2wc0 s LYS 123 CO 0.53 -0.72 1.75 1.49 -0.36 0.00 0.00 175.35 178.03 2wc0 h GLU 124 N 6.56 0.61 -0.08 4.03 4.81 -1.87 -1.01 114.58 127.63 2wc0 h GLU 124 Ca -0.43 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2wc0 h GLU 124 Cb 1.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2wc0 h GLU 124 CO 0.93 0.41 -0.19 0.27 -0.73 0.00 0.00 179.01 179.70 2wc0 n ASN 125 N -4.86 2.31 -0.24 1.04 2.04 -1.26 -3.83 115.26 110.46 2wc0 n ASN 125 Ca 0.24 -3.47 0.04 0.00 -0.44 0.00 0.00 54.58 50.95 2wc0 n ASN 125 Cb 0.64 -0.51 0.16 0.00 -2.53 0.00 0.00 39.78 37.55 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 0.70 0.29 -0.02 -3.83 4.57 -1.51 -0.53 114.58 114.25 2wc0 h GLU 126 Ca 0.03 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2wc0 h GLU 126 Cb 1.15 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2wc0 h GLU 126 CO 0.08 0.19 0.00 -0.92 -1.18 0.00 0.00 179.01 177.19 2wc0 h TYR 127 N 0.30 0.04 -0.06 0.92 5.03 -1.85 0.14 116.97 121.49 2wc0 h TYR 127 Ca 0.39 -0.01 -0.19 0.00 2.58 0.00 0.00 58.73 61.51 2wc0 h TYR 127 Cb 0.64 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.90 2wc0 h TYR 127 CO -0.24 0.27 -0.76 0.66 -1.32 0.00 0.00 178.16 176.77 2wc0 h SER 128 N -0.21 0.46 -0.83 -2.11 4.64 -1.80 -2.08 113.55 111.63 2wc0 h SER 128 Ca 0.01 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 2wc0 h SER 128 Cb 0.25 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 2wc0 h SER 128 CO 0.00 1.06 0.52 -0.61 -0.87 0.00 0.00 176.83 176.93 2wc0 h GLN 129 N 0.25 0.97 -0.82 4.77 4.15 -1.09 -1.02 115.11 122.32 2wc0 h GLN 129 Ca -0.04 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2wc0 h GLN 129 Cb 1.34 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.77 2wc0 h GLN 129 CO 0.13 0.64 0.52 0.35 -1.93 0.00 0.00 178.83 178.54 2wc0 h PHE 130 N 1.00 1.06 0.22 3.99 3.57 -0.39 -1.88 116.94 124.51 2wc0 h PHE 130 Ca 0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2wc0 h PHE 130 Cb 0.05 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2wc0 h PHE 130 CO -0.03 0.69 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.56 2wc0 h LEU 131 N 1.12 -0.25 -0.96 0.59 3.38 -0.86 -2.84 115.31 115.48 2wc0 h LEU 131 Ca 0.30 -0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2wc0 h LEU 131 Cb -0.08 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.63 2wc0 h LEU 131 CO -0.06 0.08 0.56 -1.28 0.09 0.00 0.00 178.44 177.83 2wc0 h SER 132 N -0.61 0.69 0.34 -0.43 0.87 -1.14 0.46 113.55 113.73 2wc0 h SER 132 Ca -0.03 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wc0 h SER 132 Cb 0.44 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2wc0 h SER 132 CO 0.05 0.23 0.00 -0.62 -0.53 0.00 0.00 176.83 175.96 2wc0 n GLU 133 N -4.82 0.57 -1.05 2.24 1.02 -0.71 -3.43 120.64 114.46 2wc0 n GLU 133 Ca 0.22 0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.43 2wc0 n GLU 133 Cb 0.56 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.19 0.00 -3.28 -0.32 8.25 0.14 -4.67 115.22 114.16 2wc0 n HIS 134 Ca 0.16 -0.96 -0.24 0.00 -0.26 0.00 0.00 57.72 56.42 2wc0 n HIS 134 Cb 0.18 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.28 -1.07 -4.21 -1.41 0.00 -0.81 -0.91 120.51 111.81 2wc0 n ALA 135 Ca 0.12 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 2wc0 n ALA 135 Cb 0.92 -3.87 -0.02 0.00 0.00 0.00 0.00 19.45 16.49 2wc0 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wc0 n GLY 136 N -1.51 4.00 2.77 0.00 0.00 -0.04 -4.22 105.19 106.19 2wc0 n GLY 136 Ca -0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 2wc0 n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wc0 n SER 137 N -1.13 -1.37 -3.60 1.61 3.41 -0.82 -3.97 113.62 107.76 2wc0 n SER 137 Ca -0.06 -1.79 -0.12 0.00 -0.26 0.00 0.00 58.87 56.64 2wc0 n SER 137 Cb 0.20 2.24 -0.06 0.00 -0.26 0.00 0.00 64.21 66.32 2wc0 n SER 137 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wc0 s SER 138 N -2.70 -0.52 0.16 4.04 0.15 -1.26 -1.15 113.70 112.42 2wc0 s SER 138 Ca 0.15 0.83 -0.03 0.00 0.70 0.00 0.00 55.95 57.61 2wc0 s SER 138 Cb -0.02 0.79 0.01 0.00 -1.71 0.00 0.00 66.02 65.08 2wc0 s SER 138 CO 0.05 -0.29 0.25 -3.20 1.20 0.00 0.00 173.24 171.26 2wc0 n ASN 139 N 1.72 -0.72 -3.59 5.45 2.85 0.12 -4.99 115.26 116.10 2wc0 n ASN 139 Ca -0.13 -1.76 -0.12 0.00 -0.11 0.00 0.00 54.58 52.46 2wc0 n ASN 139 Cb 0.56 1.28 -0.06 0.00 1.24 0.00 0.00 39.78 42.80 2wc0 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wc0 s ALA 140 N -1.86 -1.91 0.04 5.20 0.00 -1.26 -0.86 121.76 121.11 2wc0 s ALA 140 Ca 0.10 1.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.74 2wc0 s ALA 140 Cb -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2wc0 s ALA 140 CO 0.08 -0.30 -0.02 -0.59 0.00 0.00 0.00 175.76 174.93 2wc0 s PHE 141 N -0.54 0.38 -0.17 0.00 -0.71 -0.07 -4.98 117.98 111.89 2wc0 s PHE 141 Ca -0.01 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 55.10 2wc0 s PHE 141 Cb -0.02 -0.28 0.02 0.00 -1.21 0.00 0.00 43.02 41.52 2wc0 s PHE 141 CO 0.00 -0.29 -0.19 0.99 -1.34 0.00 0.00 175.22 174.39 2wc0 s THR 142 N -2.73 1.96 0.21 -4.49 2.01 -1.26 -1.14 115.64 110.19 2wc0 s THR 142 Ca -0.04 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.09 2wc0 s THR 142 Cb -0.01 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.74 2wc0 s THR 142 CO -0.06 0.53 0.11 -1.54 -0.69 0.00 0.00 174.62 172.97 2wc0 n SER 143 N 4.56 1.94 0.27 3.53 3.41 0.23 -4.94 113.62 122.60 2wc0 n SER 143 Ca -0.20 -1.77 0.10 0.00 -0.26 0.00 0.00 58.87 56.73 2wc0 n SER 143 Cb 0.50 0.03 0.69 0.00 -0.26 0.00 0.00 64.21 65.18 2wc0 n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wc0 h GLY 144 N 0.32 0.00 -0.02 5.00 0.00 -1.95 -2.59 103.07 103.84 2wc0 h GLY 144 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2wc0 h GLY 144 CO 0.23 0.00 -0.01 1.18 0.00 0.00 0.00 176.54 177.94 2wc0 n GLU 145 N -4.33 1.93 -3.82 4.80 1.02 -1.26 -1.54 120.64 117.44 2wc0 n GLU 145 Ca -0.03 -1.20 -0.12 0.00 -0.02 0.00 0.00 57.16 55.79 2wc0 n GLU 145 Cb 0.11 -0.85 -0.11 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.72 -0.12 -0.13 -0.32 3.76 -1.17 -1.98 115.29 114.61 2wc0 s HIS 146 Ca 0.01 0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2wc0 s HIS 146 Cb 0.01 0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.76 2wc0 s HIS 146 CO 0.00 -0.20 -0.10 0.99 -0.85 0.00 0.00 174.74 174.58 2wc0 s THR 147 N -0.60 1.23 -0.12 1.30 2.01 0.91 -0.60 115.64 119.77 2wc0 s THR 147 Ca -0.07 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.51 2wc0 s THR 147 Cb -0.04 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.25 2wc0 s THR 147 CO 0.01 0.38 -0.20 0.21 -0.69 0.00 0.00 174.62 174.33 2wc0 s ASN 148 N 1.62 2.86 -0.10 3.53 2.47 -0.29 -0.65 114.94 124.38 2wc0 s ASN 148 Ca 0.05 -0.53 0.02 0.00 0.42 0.00 0.00 52.86 52.81 2wc0 s ASN 148 Cb -0.13 -1.31 0.01 0.00 -1.45 0.00 0.00 41.25 38.37 2wc0 s ASN 148 CO -0.09 0.07 -0.15 -0.31 -3.72 0.00 0.00 177.10 172.91 2wc0 s TYR 149 N 0.77 1.84 0.01 0.43 1.51 0.21 -0.89 117.35 121.23 2wc0 s TYR 149 Ca -0.09 -0.81 -0.07 0.00 -1.01 0.00 0.00 57.07 55.09 2wc0 s TYR 149 Cb -0.16 -1.33 -0.00 0.00 -0.11 0.00 0.00 41.96 40.36 2wc0 s TYR 149 CO 0.00 -0.42 0.13 1.52 -1.11 0.00 0.00 175.55 175.67 2wc0 s TYR 150 N 0.89 0.08 0.08 2.71 -0.85 -0.04 -0.22 117.35 120.00 2wc0 s TYR 150 Ca -0.09 -0.24 -0.00 0.00 -0.52 0.00 0.00 57.07 56.22 2wc0 s TYR 150 Cb -0.15 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 2wc0 s TYR 150 CO 0.00 -0.31 -0.02 -0.59 -1.52 0.00 0.00 175.55 173.11 2wc0 s PHE 151 N -1.75 0.70 0.33 -3.49 -0.12 -0.61 -0.70 117.98 112.35 2wc0 s PHE 151 Ca -0.12 -1.07 0.06 0.00 -0.05 0.00 0.00 56.93 55.75 2wc0 s PHE 151 Cb -0.06 -0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 41.82 2wc0 s PHE 151 CO -0.00 -0.35 -0.01 0.16 -0.05 0.00 0.00 175.22 174.96 2wc0 s ASP 152 N -2.99 2.96 0.13 1.98 1.47 -0.30 -2.01 116.67 117.92 2wc0 s ASP 152 Ca 0.12 -1.29 -0.25 0.00 1.18 0.00 0.00 52.55 52.32 2wc0 s ASP 152 Cb 0.07 -0.21 0.07 0.00 -0.34 0.00 0.00 42.92 42.51 2wc0 s ASP 152 CO -0.06 -0.43 0.78 0.54 0.68 0.00 0.00 175.17 176.68 2wc0 s VAL 153 N -3.00 0.00 0.37 2.11 0.11 0.06 -1.94 120.40 118.11 2wc0 s VAL 153 Ca 0.33 -0.33 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 2wc0 s VAL 153 Cb 0.06 -1.41 -0.12 0.00 -1.53 0.00 0.00 36.38 33.39 2wc0 s VAL 153 CO 0.15 0.00 1.11 -0.24 -3.33 0.00 0.00 175.10 172.79 2wc0 n SER 154 N -0.38 1.80 0.28 3.54 2.88 -0.09 0.27 113.62 121.92 2wc0 n SER 154 Ca -0.10 1.12 0.17 0.00 -1.33 0.00 0.00 58.87 58.74 2wc0 n SER 154 Cb 0.62 -1.39 0.67 0.00 -0.75 0.00 0.00 64.21 63.36 2wc0 n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2wc0 h HIS 155 N 1.97 0.00 0.00 0.66 2.07 -1.70 0.03 115.15 118.18 2wc0 h HIS 155 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2wc0 h HIS 155 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 2wc0 h HIS 155 CO 0.47 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.72 2wc0 n GLU 156 N -3.10 0.04 -1.38 5.12 1.02 -1.26 -3.74 120.64 117.34 2wc0 n GLU 156 Ca 0.01 0.28 -0.02 0.00 -0.02 0.00 0.00 57.16 57.41 2wc0 n GLU 156 Cb 0.31 -1.57 0.11 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.64 0.74 -0.05 -0.32 8.25 -0.00 -4.81 115.22 117.39 2wc0 n HIS 157 Ca 0.03 -1.50 -0.09 0.00 -0.26 0.00 0.00 57.72 55.91 2wc0 n HIS 157 Cb 0.19 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 2wc0 n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wc0 h LEU 158 N 1.44 -0.83 -0.78 2.41 6.46 -1.68 -1.80 115.31 120.53 2wc0 h LEU 158 Ca 0.01 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2wc0 h LEU 158 Cb 1.36 0.39 -0.04 0.00 -0.73 0.00 0.00 40.66 41.64 2wc0 h LEU 158 CO 0.21 -0.29 0.35 -0.08 -0.62 0.00 0.00 178.44 178.01 2wc0 h GLU 159 N -0.27 1.14 -0.31 1.25 4.81 -1.91 1.00 114.58 120.29 2wc0 h GLU 159 Ca 0.13 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2wc0 h GLU 159 Cb 0.48 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2wc0 h GLU 159 CO -0.39 0.90 0.06 0.78 -0.73 0.00 0.00 179.01 179.62 2wc0 h GLY 160 N 1.11 0.55 0.88 1.92 0.00 -1.88 0.28 103.07 105.92 2wc0 h GLY 160 Ca 0.26 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2wc0 h GLY 160 CO -0.03 0.33 -0.01 0.00 0.00 0.00 0.00 176.54 176.83 2wc0 h ALA 161 N 0.89 0.40 -0.45 3.60 0.00 -0.87 -2.88 119.26 119.95 2wc0 h ALA 161 Ca 0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2wc0 h ALA 161 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wc0 h ALA 161 CO 0.00 0.16 -0.07 1.25 0.00 0.00 0.00 179.25 180.60 2wc0 h LEU 162 N 0.32 0.85 0.00 0.00 5.85 0.16 -1.65 115.31 120.84 2wc0 h LEU 162 Ca 0.08 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2wc0 h LEU 162 Cb 0.45 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2wc0 h LEU 162 CO 0.02 0.99 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.24 2wc0 h ASP 163 N 0.69 -0.25 -0.94 1.25 -0.00 -0.52 0.16 116.42 116.80 2wc0 h ASP 163 Ca 0.12 0.04 0.13 0.00 -0.00 0.00 0.00 57.03 57.32 2wc0 h ASP 163 Cb 0.60 0.11 -0.09 0.00 -0.00 0.00 0.00 39.33 39.95 2wc0 h ASP 163 CO 0.04 -0.13 0.56 0.03 -0.00 0.00 0.00 179.24 179.74 2wc0 h ARG 164 N -0.16 0.84 -0.40 0.28 3.08 -1.21 -2.17 114.38 114.64 2wc0 h ARG 164 Ca 0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2wc0 h ARG 164 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2wc0 h ARG 164 CO -0.09 0.55 -0.25 0.35 -1.07 0.00 0.00 179.97 179.47 2wc0 h PHE 165 N 0.86 0.94 0.00 3.04 3.04 -0.37 -2.80 116.94 121.65 2wc0 h PHE 165 Ca 0.48 -0.23 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 2wc0 h PHE 165 Cb 0.54 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 2wc0 h PHE 165 CO -0.03 0.98 -0.16 0.00 -2.02 0.00 0.00 178.31 177.08 2wc0 h ALA 166 N 1.01 1.53 0.00 2.41 0.00 -0.06 -2.29 119.26 121.86 2wc0 h ALA 166 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2wc0 h ALA 166 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wc0 h ALA 166 CO 0.06 0.20 -0.17 1.96 0.00 0.00 0.00 179.25 181.30 2wc0 h GLN 167 N 0.00 0.00 -1.17 0.00 1.08 -1.41 0.38 115.11 113.99 2wc0 h GLN 167 Ca -0.00 0.00 0.33 0.00 -1.45 0.00 0.00 58.65 57.53 2wc0 h GLN 167 Cb 0.32 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 2wc0 h GLN 167 CO 0.02 0.17 0.83 0.74 -0.95 0.00 0.00 178.83 179.63 2wc0 h PHE 168 N 0.00 0.12 -0.64 2.96 -1.00 -1.53 -1.33 116.94 115.52 2wc0 h PHE 168 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2wc0 h PHE 168 Cb 0.48 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2wc0 h PHE 168 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 2wc0 n PHE 169 N -4.26 0.98 0.05 -0.55 3.72 0.13 -4.39 117.46 113.14 2wc0 n PHE 169 Ca 0.26 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2wc0 n PHE 169 Cb 1.19 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.68 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 1.31 0.31 -2.82 4.37 4.77 -0.62 -4.81 117.00 119.52 2wc0 n LEU 170 Ca 0.22 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 2wc0 n LEU 170 Cb 0.64 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.75 2wc0 n LEU 170 CO 0.16 -0.50 0.13 -1.54 -1.33 0.00 0.00 177.39 174.32 2wc0 n SER 171 N -3.16 -2.43 -4.77 -1.43 3.41 -0.60 -5.08 113.62 99.56 2wc0 n SER 171 Ca 0.00 -3.23 -0.40 0.00 -0.26 0.00 0.00 58.87 54.98 2wc0 n SER 171 Cb 0.15 1.47 0.01 0.00 -0.26 0.00 0.00 64.21 65.58 2wc0 n SER 171 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2wc0 s PRO 172 N 0.40 3.82 0.30 4.33 0.04 -1.24 -1.31 135.00 141.33 2wc0 s PRO 172 Ca 0.32 2.40 0.16 0.00 0.04 0.00 0.00 61.00 63.92 2wc0 s PRO 172 Cb 0.22 -2.73 0.29 0.00 0.04 0.00 0.00 34.50 32.32 2wc0 s PRO 172 CO -0.22 -0.71 1.55 -0.07 0.04 0.00 0.00 177.00 177.59 2wc0 h LEU 173 N 2.52 0.00 -3.43 -3.56 3.38 -1.12 -3.45 115.31 109.66 2wc0 h LEU 173 Ca -0.51 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.14 2wc0 h LEU 173 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2wc0 h LEU 173 CO 0.62 0.51 -0.54 0.49 0.09 0.00 0.00 178.44 179.61 2wc0 n PHE 174 N -3.38 -0.72 -1.58 1.13 3.01 -1.26 -4.82 117.46 109.85 2wc0 n PHE 174 Ca 0.01 0.08 -0.46 0.00 1.01 0.00 0.00 57.45 58.08 2wc0 n PHE 174 Cb 0.66 -1.47 -0.02 0.00 -0.01 0.00 0.00 39.48 38.64 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 -0.83 1.27 -0.14 4.37 2.03 -1.26 -4.81 116.55 117.18 2wc0 n ASP 175 Ca -0.08 1.16 0.06 0.00 0.52 0.00 0.00 54.79 56.45 2wc0 n ASP 175 Cb 0.31 -1.26 0.37 0.00 -0.72 0.00 0.00 41.12 39.82 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 2.46 0.69 0.08 -0.67 4.57 -2.00 0.22 114.58 119.94 2wc0 h GLU 176 Ca -0.40 -0.04 -0.35 0.00 -1.18 0.00 0.00 59.36 57.38 2wc0 h GLU 176 Cb 1.34 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2wc0 h GLU 176 CO 0.64 0.46 -2.02 0.45 -1.18 0.00 0.00 179.01 177.36 2wc0 n SER 177 N -4.47 1.80 -0.16 1.04 2.88 -1.26 -2.24 113.62 111.21 2wc0 n SER 177 Ca 0.09 0.20 -0.03 0.00 -1.33 0.00 0.00 58.87 57.80 2wc0 n SER 177 Cb 0.18 -0.60 0.04 0.00 -0.75 0.00 0.00 64.21 63.08 2wc0 n SER 177 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wc0 h ALA 178 N 0.27 0.38 -0.76 -1.46 0.00 -1.89 -1.04 119.26 114.76 2wc0 h ALA 178 Ca -0.42 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2wc0 h ALA 178 Cb 2.02 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 20.13 2wc0 h ALA 178 CO 0.06 -0.43 0.30 -0.22 0.00 0.00 0.00 179.25 178.97 2wc0 h LYS 179 N 0.03 1.13 -0.36 0.00 3.64 -0.51 0.14 116.57 120.64 2wc0 h LYS 179 Ca 0.25 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2wc0 h LYS 179 Cb 0.38 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2wc0 h LYS 179 CO -0.49 0.92 0.12 -0.44 -2.27 0.00 0.00 179.45 177.29 2wc0 h ASP 180 N 1.09 0.47 0.02 4.20 3.32 -1.13 -2.74 116.42 121.66 2wc0 h ASP 180 Ca 0.25 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2wc0 h ASP 180 Cb 0.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2wc0 h ASP 180 CO -0.02 0.45 -0.16 0.03 -1.72 0.00 0.00 179.24 177.82 2wc0 h ARG 181 N 0.51 0.06 0.00 3.56 3.08 0.05 -3.37 114.38 118.28 2wc0 h ARG 181 Ca 0.12 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2wc0 h ARG 181 Cb 0.15 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2wc0 h ARG 181 CO -0.01 1.02 -0.18 1.49 -1.07 0.00 0.00 179.97 181.22 2wc0 h GLU 182 N -0.84 0.00 -0.23 0.04 4.57 -0.72 0.93 114.58 118.33 2wc0 h GLU 182 Ca -0.03 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 2wc0 h GLU 182 Cb 1.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2wc0 h GLU 182 CO 0.03 0.18 0.42 -0.24 -1.18 0.00 0.00 179.01 178.22 2wc0 h VAL 183 N 0.00 0.20 0.09 0.32 3.04 -1.65 0.45 116.25 118.70 2wc0 h VAL 183 Ca -0.00 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.42 2wc0 h VAL 183 Cb 0.38 0.63 0.01 0.00 -2.01 0.00 0.00 31.29 30.31 2wc0 h VAL 183 CO 0.02 0.00 -1.16 0.78 -1.01 0.00 0.00 177.57 176.20 2wc0 h ASN 184 N 0.00 0.65 0.13 3.17 4.21 -1.03 -2.40 115.58 120.30 2wc0 h ASN 184 Ca 0.11 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 57.02 2wc0 h ASN 184 Cb 0.95 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 2wc0 h ASN 184 CO -0.00 1.43 -0.10 0.00 -1.29 0.00 0.00 177.43 177.46 2wc0 h ALA 185 N 0.51 -0.22 -0.49 -0.83 0.00 -1.04 0.21 119.26 117.39 2wc0 h ALA 185 Ca -0.14 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wc0 h ALA 185 Cb 1.84 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 2wc0 h ALA 185 CO 0.21 -0.64 0.27 0.28 0.00 0.00 0.00 179.25 179.37 2wc0 h VAL 186 N -0.24 0.99 -0.79 0.00 2.07 -1.53 -0.68 116.25 116.07 2wc0 h VAL 186 Ca -0.00 -0.18 0.18 0.00 0.82 0.00 0.00 66.70 67.52 2wc0 h VAL 186 Cb 0.22 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 30.29 2wc0 h VAL 186 CO -0.01 0.10 0.20 -0.78 0.02 0.00 0.00 177.57 177.09 2wc0 h ASP 187 N 0.53 0.01 -0.28 0.57 3.58 -1.05 -1.43 116.42 118.36 2wc0 h ASP 187 Ca 0.21 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 2wc0 h ASP 187 Cb 0.08 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2wc0 h ASP 187 CO -0.13 -0.07 0.15 -1.28 -2.88 0.00 0.00 179.24 175.03 2wc0 h SER 188 N 0.26 0.35 -0.59 2.28 0.87 -0.16 -0.38 113.55 116.18 2wc0 h SER 188 Ca 0.46 -0.10 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 2wc0 h SER 188 Cb 0.84 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 62.59 2wc0 h SER 188 CO -0.56 0.36 -0.21 -0.33 -0.53 0.00 0.00 176.83 175.56 2wc0 h GLU 189 N 0.33 -0.06 -0.45 2.24 5.08 -0.40 -1.13 114.58 120.19 2wc0 h GLU 189 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2wc0 h GLU 189 Cb 0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2wc0 h GLU 189 CO -0.01 -0.04 -0.18 1.25 -1.00 0.00 0.00 179.01 179.02 2wc0 h HIS 190 N -0.07 1.05 -0.14 4.33 2.76 -1.11 -2.80 115.15 119.17 2wc0 h HIS 190 Ca 0.27 -0.25 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2wc0 h HIS 190 Cb 0.49 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 2wc0 h HIS 190 CO -0.54 1.04 -0.34 0.93 -1.30 0.00 0.00 177.93 177.73 2wc0 h GLU 191 N 0.75 -0.31 -0.59 5.26 4.39 0.02 0.53 114.58 124.64 2wc0 h GLU 191 Ca 0.10 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.96 2wc0 h GLU 191 Cb 0.75 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.36 2wc0 h GLU 191 CO 0.06 -0.20 -0.07 1.17 -1.16 0.00 0.00 179.01 178.81 2wc0 n LYS 192 N -4.33 -0.05 0.20 2.33 4.81 -0.53 -1.08 118.16 119.52 2wc0 n LYS 192 Ca -0.03 0.90 0.10 0.00 -0.87 0.00 0.00 58.31 58.41 2wc0 n LYS 192 Cb 0.22 -1.38 0.19 0.00 0.02 0.00 0.00 35.03 34.08 2wc0 n LYS 192 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2wc0 h ASN 193 N 0.00 0.00 -0.92 3.14 2.35 -0.71 -3.38 115.58 116.06 2wc0 h ASN 193 Ca 0.32 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.21 2wc0 h ASN 193 Cb 0.58 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.80 2wc0 h ASN 193 CO -0.58 0.14 -0.38 0.58 -1.65 0.00 0.00 177.43 175.54 2wc0 h VAL 194 N 0.00 0.03 -0.44 2.81 2.07 0.60 -2.25 116.25 119.07 2wc0 h VAL 194 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wc0 h VAL 194 Cb 1.04 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2wc0 h VAL 194 CO 0.02 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.84 2wc0 n MET 195 N -5.46 3.93 -4.13 1.57 2.81 -1.26 -4.75 117.12 109.83 2wc0 n MET 195 Ca 0.09 -2.38 -0.34 0.00 -1.81 0.00 0.00 57.70 53.25 2wc0 n MET 195 Cb 0.39 -2.07 -0.11 0.00 -0.71 0.00 0.00 33.22 30.72 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 -0.60 5.23 0.30 7.83 2.47 -0.85 -4.89 114.94 124.43 2wc0 s ASN 196 Ca 0.41 -0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.67 2wc0 s ASN 196 Cb 0.31 -1.89 0.55 0.00 -1.45 0.00 0.00 41.25 38.78 2wc0 s ASN 196 CO 0.12 0.14 1.88 0.44 -3.72 0.00 0.00 177.10 175.97 2wc0 h ASP 197 N 6.90 0.91 -0.37 -4.21 5.19 -1.90 -2.05 116.42 120.89 2wc0 h ASP 197 Ca -0.35 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.02 2wc0 h ASP 197 Cb 1.18 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2wc0 h ASP 197 CO 0.66 0.54 -0.05 0.00 -3.12 0.00 0.00 179.24 177.27 2wc0 h ALA 198 N 1.52 0.50 -0.23 3.45 0.00 -1.95 -0.76 119.26 121.80 2wc0 h ALA 198 Ca 0.44 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2wc0 h ALA 198 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wc0 h ALA 198 CO -0.19 0.31 -0.41 -1.49 0.00 0.00 0.00 179.25 177.47 2wc0 h TRP 199 N 0.48 0.63 -0.49 0.00 4.06 -1.68 0.13 115.95 119.08 2wc0 h TRP 199 Ca 0.10 -0.18 -0.11 0.00 2.06 0.00 0.00 58.89 60.76 2wc0 h TRP 199 Cb 0.53 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 2wc0 h TRP 199 CO 0.04 0.86 -0.11 0.00 -3.56 0.00 0.00 178.44 175.68 2wc0 h ARG 200 N 0.44 0.94 -0.55 0.49 3.08 -1.27 -2.25 114.38 115.26 2wc0 h ARG 200 Ca 0.04 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 2wc0 h ARG 200 Cb 0.90 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2wc0 h ARG 200 CO 0.08 1.02 0.02 -0.07 -1.07 0.00 0.00 179.97 179.95 2wc0 h LEU 201 N 0.80 0.93 -0.65 3.04 4.07 -0.81 -0.21 115.31 122.48 2wc0 h LEU 201 Ca 0.13 -0.30 0.06 0.00 0.08 0.00 0.00 57.88 57.85 2wc0 h LEU 201 Cb 0.66 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 42.10 2wc0 h LEU 201 CO 0.05 1.00 0.36 0.15 -1.08 0.00 0.00 178.44 178.91 2wc0 h PHE 202 N 0.83 0.66 0.22 1.13 3.04 -0.46 -1.25 116.94 121.11 2wc0 h PHE 202 Ca 0.16 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.82 2wc0 h PHE 202 Cb 0.51 -0.20 0.04 0.00 2.56 0.00 0.00 35.95 38.85 2wc0 h PHE 202 CO 0.04 0.32 -1.37 0.37 -2.02 0.00 0.00 178.31 175.65 2wc0 h GLN 203 N 0.67 0.53 -0.98 1.11 5.75 -1.28 -3.14 115.11 117.77 2wc0 h GLN 203 Ca 0.29 -0.87 0.14 0.00 -0.15 0.00 0.00 58.65 58.05 2wc0 h GLN 203 Cb 0.17 0.32 -0.09 0.00 1.07 0.00 0.00 27.48 28.95 2wc0 h GLN 203 CO -0.17 1.41 0.62 1.25 -2.65 0.00 0.00 178.83 179.29 2wc0 h LEU 204 N 0.11 0.84 -0.38 -2.39 5.85 -0.99 0.54 115.31 118.89 2wc0 h LEU 204 Ca -0.23 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2wc0 h LEU 204 Cb 2.07 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 2wc0 h LEU 204 CO 0.26 0.42 0.24 -0.08 -0.34 0.00 0.00 178.44 178.93 2wc0 h GLU 205 N 0.88 0.51 0.00 1.25 4.81 -1.18 -1.08 114.58 119.78 2wc0 h GLU 205 Ca 0.50 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2wc0 h GLU 205 Cb 0.62 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2wc0 h GLU 205 CO -0.27 0.37 -0.10 0.87 -0.73 0.00 0.00 179.01 179.14 2wc0 h LYS 206 N 0.50 0.00 0.00 1.92 1.57 -1.36 -2.58 116.57 116.62 2wc0 h LYS 206 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wc0 h LYS 206 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2wc0 h LYS 206 CO -0.03 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 2wc0 n ALA 207 N -2.20 2.20 -0.14 3.86 0.00 0.11 -3.51 120.51 120.83 2wc0 n ALA 207 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2wc0 n ALA 207 Cb 0.28 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.37 2wc0 n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wc0 n THR 208 N -1.62 1.07 -1.84 0.00 -2.24 -0.97 -4.91 114.28 103.76 2wc0 n THR 208 Ca 0.06 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 2wc0 n THR 208 Cb 0.32 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.13 1.14 3.57 3.38 0.00 -1.22 -4.96 105.19 106.96 2wc0 n GLY 209 Ca 0.06 -1.96 -0.47 0.00 0.00 0.00 0.00 46.02 43.65 2wc0 n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wc0 n ASN 210 N -1.18 2.91 0.27 1.61 2.85 0.34 -4.82 115.26 117.24 2wc0 n ASN 210 Ca 0.00 0.52 0.15 0.00 -0.11 0.00 0.00 54.58 55.14 2wc0 n ASN 210 Cb 0.00 -1.39 0.70 0.00 1.24 0.00 0.00 39.78 40.32 2wc0 n ASN 210 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wc0 h PRO 211 N 12.29 0.00 0.00 1.20 0.13 -1.91 0.12 132.00 143.84 2wc0 h PRO 211 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2wc0 h PRO 211 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2wc0 h PRO 211 CO 0.98 0.08 0.00 0.87 -0.23 0.00 0.00 178.00 179.70 2wc0 h LYS 212 N 0.00 0.00 -6.24 0.86 1.57 -1.99 -3.44 116.57 107.32 2wc0 h LYS 212 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2wc0 h LYS 212 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2wc0 h LYS 212 CO 0.01 0.00 0.18 -1.58 -0.57 0.00 0.00 179.45 177.49 2wc0 s HIS 213 N -3.84 3.68 0.43 -1.35 2.46 0.42 -4.94 115.29 112.15 2wc0 s HIS 213 Ca -0.02 1.45 0.29 0.00 0.47 0.00 0.00 55.06 57.25 2wc0 s HIS 213 Cb 0.10 -2.87 1.40 0.00 -0.13 0.00 0.00 32.58 31.08 2wc0 s HIS 213 CO 0.40 0.17 1.62 -1.35 -2.47 0.00 0.00 174.74 173.11 2wc0 h PRO 214 N 6.19 0.09 -1.50 2.88 0.11 -1.87 0.29 132.00 138.19 2wc0 h PRO 214 Ca -0.42 -0.01 0.48 0.00 0.11 0.00 0.00 66.00 66.16 2wc0 h PRO 214 Cb 1.21 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 2wc0 h PRO 214 CO 0.73 0.06 1.01 0.35 -0.21 0.00 0.00 178.00 179.94 2wc0 h PHE 215 N 0.09 0.37 -0.21 0.65 3.04 -1.92 0.11 116.94 119.08 2wc0 h PHE 215 Ca 0.82 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.78 2wc0 h PHE 215 Cb 2.50 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.92 2wc0 h PHE 215 CO -0.01 -0.18 0.00 -1.13 -2.02 0.00 0.00 178.31 174.97 2wc0 n SER 216 N -4.51 1.17 -4.73 0.41 3.41 0.10 -4.76 113.62 104.71 2wc0 n SER 216 Ca 0.40 -2.00 -0.32 0.00 -0.26 0.00 0.00 58.87 56.68 2wc0 n SER 216 Cb 1.62 -0.15 0.10 0.00 -0.26 0.00 0.00 64.21 65.52 2wc0 n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wc0 s LYS 217 N -1.71 2.02 -0.43 4.33 1.02 0.38 -4.83 119.74 120.52 2wc0 s LYS 217 Ca 0.14 1.44 -0.12 0.00 0.02 0.00 0.00 55.97 57.45 2wc0 s LYS 217 Cb 0.08 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.60 2wc0 s LYS 217 CO 0.10 -1.86 0.30 0.12 -0.92 0.00 0.00 175.35 173.09 2wc0 s PHE 218 N -2.53 3.29 0.01 3.18 5.36 -1.26 -4.97 117.98 121.06 2wc0 s PHE 218 Ca 0.67 -1.19 0.14 0.00 -0.96 0.00 0.00 56.93 55.59 2wc0 s PHE 218 Cb -0.22 -2.94 0.21 0.00 -0.34 0.00 0.00 43.02 39.72 2wc0 s PHE 218 CO 0.51 -0.79 1.51 0.78 -1.46 0.00 0.00 175.22 175.77 2wc0 h GLY 219 N 8.55 0.00 0.85 13.12 0.00 -1.94 -3.23 103.07 120.42 2wc0 h GLY 219 Ca -0.25 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2wc0 h GLY 219 CO 0.79 0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 176.40 2wc0 h THR 220 N 0.00 1.29 -0.50 4.70 2.02 -1.93 -3.36 112.91 115.13 2wc0 h THR 220 Ca -0.01 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.09 2wc0 h THR 220 Cb 1.30 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 2wc0 h THR 220 CO 0.07 0.35 -0.17 0.61 0.37 0.00 0.00 175.52 176.76 2wc0 n GLY 221 N -0.09 -2.51 1.93 2.16 0.00 -1.25 -4.58 105.19 100.85 2wc0 n GLY 221 Ca -0.04 -1.41 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.48 -1.01 -0.32 1.61 0.23 -1.26 -4.70 115.26 107.33 2wc0 n ASN 222 Ca -0.01 -1.93 0.03 0.00 -0.53 0.00 0.00 54.58 52.14 2wc0 n ASN 222 Cb 0.10 1.75 0.18 0.00 -2.08 0.00 0.00 39.78 39.73 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 0.91 0.62 -3.83 1.63 -1.89 0.18 116.57 114.19 2wc0 h LYS 223 Ca -0.17 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 2wc0 h LYS 223 Cb 0.66 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2wc0 h LYS 223 CO 0.22 0.60 -0.43 -0.92 -3.45 0.00 0.00 179.45 175.46 2wc0 h TYR 224 N 0.94 -1.16 0.00 1.91 3.20 -1.95 0.41 116.97 120.31 2wc0 h TYR 224 Ca 0.42 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2wc0 h TYR 224 Cb 0.32 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2wc0 h TYR 224 CO -0.03 -0.63 0.00 1.79 -1.64 0.00 0.00 178.16 177.64 2wc0 h THR 225 N -1.01 0.00 0.00 1.81 1.35 -1.79 0.65 112.91 113.91 2wc0 h THR 225 Ca -0.08 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2wc0 h THR 225 Cb 0.84 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2wc0 h THR 225 CO 0.04 0.00 -0.62 0.18 -0.25 0.00 0.00 175.52 174.88 2wc0 n LEU 226 N -2.49 0.36 0.10 3.87 4.32 0.61 -4.42 117.00 119.35 2wc0 n LEU 226 Ca 0.03 -0.41 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 2wc0 n LEU 226 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2wc0 n LEU 226 CO 0.26 0.09 0.00 1.21 -1.22 0.00 0.00 177.39 177.73 2wc0 n GLU 227 N -1.33 0.00 0.15 3.23 2.13 0.14 -4.78 120.64 120.18 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 0.16 -0.14 -0.07 0.00 0.27 0.00 0.00 31.44 31.66 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 0.00 -0.49 6.31 2.02 -1.22 0.70 112.91 120.23 2wc0 h THR 228 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2wc0 h THR 228 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2wc0 h THR 228 CO 0.00 0.00 -0.14 -0.09 0.37 0.00 0.00 175.52 175.66 2wc0 h ARG 229 N -0.66 0.97 -0.07 6.66 2.43 -1.11 -0.99 114.38 121.60 2wc0 h ARG 229 Ca -0.03 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 2wc0 h ARG 229 Cb 0.61 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2wc0 h ARG 229 CO -0.13 1.05 0.05 -1.35 -1.51 0.00 0.00 179.97 178.09 2wc0 h PRO 230 N 0.83 0.00 -0.03 0.20 0.11 -1.71 -1.54 132.00 129.85 2wc0 h PRO 230 Ca 0.12 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2wc0 h PRO 230 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 2wc0 h PRO 230 CO 0.05 0.00 -0.02 -0.91 -0.21 0.00 0.00 178.00 176.91 2wc0 h ASN 231 N 0.00 0.07 0.00 -2.05 -0.26 0.09 0.89 115.58 114.32 2wc0 h ASN 231 Ca 0.04 -0.47 0.00 0.00 -0.56 0.00 0.00 56.30 55.31 2wc0 h ASN 231 Cb 0.14 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2wc0 h ASN 231 CO -0.00 0.52 0.53 1.56 -1.06 0.00 0.00 177.43 178.99 2wc0 h GLN 232 N -0.38 0.00 0.00 0.81 4.20 -0.43 -0.95 115.11 118.36 2wc0 h GLN 232 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2wc0 h GLN 232 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2wc0 h GLN 232 CO 0.01 0.00 -0.33 0.39 -0.67 0.00 0.00 178.83 178.23 2wc0 n GLU 233 N -2.64 1.25 -1.91 1.46 1.02 -0.66 -4.96 120.64 114.20 2wc0 n GLU 233 Ca -0.01 -2.76 -0.18 0.00 -0.02 0.00 0.00 57.16 54.18 2wc0 n GLU 233 Cb 0.56 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.07 0.79 3.72 0.62 0.00 -0.36 -4.97 105.19 103.92 2wc0 n GLY 234 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.72 4.81 -0.68 -0.61 1.01 0.24 -5.02 121.20 118.24 2wc0 s ILE 235 Ca 0.00 1.91 -0.22 0.00 0.00 0.00 0.00 60.65 62.35 2wc0 s ILE 235 Cb 0.00 -4.25 0.08 0.00 0.01 0.00 0.00 42.46 38.30 2wc0 s ILE 235 CO 0.00 0.23 0.94 -0.62 0.00 0.00 0.00 174.94 175.49 2wc0 s ASP 236 N 0.65 6.22 0.28 3.58 2.15 -1.26 -4.58 116.67 123.71 2wc0 s ASP 236 Ca 0.47 -1.18 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 2wc0 s ASP 236 Cb -0.21 -2.40 0.39 0.00 -0.30 0.00 0.00 42.92 40.40 2wc0 s ASP 236 CO 0.26 -1.35 1.94 0.58 -0.17 0.00 0.00 175.17 176.44 2wc0 h VAL 237 N 5.95 1.20 -0.83 1.11 2.07 -1.94 0.14 116.25 123.95 2wc0 h VAL 237 Ca -0.24 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 67.01 2wc0 h VAL 237 Cb 1.07 -0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 2wc0 h VAL 237 CO 1.16 0.22 0.42 -0.09 0.02 0.00 0.00 177.57 179.30 2wc0 h ARG 238 N 1.20 0.60 -0.20 1.57 2.43 -1.92 0.38 114.38 118.43 2wc0 h ARG 238 Ca 0.34 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2wc0 h ARG 238 Cb -0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2wc0 h ARG 238 CO -0.09 0.39 -0.00 1.96 -1.51 0.00 0.00 179.97 180.73 2wc0 h GLN 239 N 0.61 0.35 -0.36 0.20 1.08 -1.20 -1.39 115.11 114.40 2wc0 h GLN 239 Ca 0.45 -0.11 0.07 0.00 -1.45 0.00 0.00 58.65 57.61 2wc0 h GLN 239 Cb 0.63 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.96 2wc0 h GLN 239 CO -0.36 0.55 -0.09 0.93 -0.95 0.00 0.00 178.83 178.92 2wc0 h GLU 240 N 0.11 -0.00 -0.21 1.46 4.39 -0.18 0.85 114.58 120.99 2wc0 h GLU 240 Ca 0.06 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2wc0 h GLU 240 Cb 0.40 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 2wc0 h GLU 240 CO 0.01 -0.00 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.53 2wc0 h LEU 241 N -0.00 -0.83 -0.88 1.33 3.38 -0.97 -0.04 115.31 117.30 2wc0 h LEU 241 Ca 0.17 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.42 2wc0 h LEU 241 Cb 0.26 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 2wc0 h LEU 241 CO -0.37 -0.30 0.49 -0.07 0.09 0.00 0.00 178.44 178.29 2wc0 h LEU 242 N -0.29 0.65 -0.27 1.67 3.38 -0.36 -0.79 115.31 119.30 2wc0 h LEU 242 Ca 0.13 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2wc0 h LEU 242 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wc0 h LEU 242 CO -0.38 0.31 -0.05 0.11 0.09 0.00 0.00 178.44 178.52 2wc0 h LYS 243 N 0.74 0.51 -0.42 1.13 1.79 0.12 -1.66 116.57 118.77 2wc0 h LYS 243 Ca 0.46 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.60 2wc0 h LYS 243 Cb 0.58 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2wc0 h LYS 243 CO -0.32 0.71 -0.31 0.35 -1.08 0.00 0.00 179.45 178.79 2wc0 h PHE 244 N 0.27 1.13 -0.46 -1.35 3.57 -0.85 0.14 116.94 119.38 2wc0 h PHE 244 Ca 0.07 -0.31 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 2wc0 h PHE 244 Cb 0.51 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2wc0 h PHE 244 CO 0.05 1.14 0.28 1.25 -2.23 0.00 0.00 178.31 178.80 2wc0 h HIS 245 N 0.79 0.61 -0.14 0.41 2.76 -1.14 0.31 115.15 118.76 2wc0 h HIS 245 Ca 0.08 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 2wc0 h HIS 245 Cb 0.90 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 2wc0 h HIS 245 CO 0.06 0.43 -0.35 1.03 -1.30 0.00 0.00 177.93 177.80 2wc0 h SER 246 N 0.62 0.28 0.03 3.26 0.87 -0.90 0.37 113.55 118.08 2wc0 h SER 246 Ca 0.17 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2wc0 h SER 246 Cb -0.00 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2wc0 h SER 246 CO -0.03 0.62 -0.25 0.00 -0.53 0.00 0.00 176.83 176.64 2wc0 h ALA 247 N 1.40 -0.00 0.00 6.23 0.00 -0.28 -3.41 119.26 123.20 2wc0 h ALA 247 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wc0 h ALA 247 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wc0 h ALA 247 CO 0.06 0.09 -1.12 0.66 0.00 0.00 0.00 179.25 178.94 2wc0 n TYR 248 N -4.49 0.00 -1.67 0.00 4.02 0.11 -4.51 117.16 110.62 2wc0 n TYR 248 Ca -0.11 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.39 2wc0 n TYR 248 Cb 0.54 -0.15 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 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 -1.64 2.59 -3.06 -0.72 0.53 0.13 -4.90 117.16 110.10 2wc0 n TYR 249 Ca 0.00 -2.96 -0.37 0.00 -1.02 0.00 0.00 57.90 53.54 2wc0 n TYR 249 Cb 0.29 -2.21 -0.06 0.00 -1.03 0.00 0.00 39.34 36.33 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 1.44 7.19 0.49 7.72 0.15 -1.26 -4.86 113.70 124.57 2wc0 s SER 250 Ca 0.60 1.51 0.27 0.00 0.70 0.00 0.00 55.95 59.03 2wc0 s SER 250 Cb 0.17 -2.45 1.35 0.00 -1.71 0.00 0.00 66.02 63.39 2wc0 s SER 250 CO -0.07 0.11 1.86 0.77 1.20 0.00 0.00 173.24 177.11 2wc0 h SER 251 N 3.80 0.14 0.77 5.45 4.64 -1.36 -2.01 113.55 124.99 2wc0 h SER 251 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wc0 h SER 251 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wc0 h SER 251 CO 0.65 0.05 0.00 -0.55 -0.87 0.00 0.00 176.83 176.11 2wc0 h ASN 252 N 0.14 0.00 -0.51 4.97 -1.07 -1.83 -2.33 115.58 114.95 2wc0 h ASN 252 Ca 0.46 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.76 2wc0 h ASN 252 Cb 1.59 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.80 2wc0 h ASN 252 CO -0.08 0.00 0.07 0.18 0.07 0.00 0.00 177.43 177.68 2wc0 n LEU 253 N -2.35 5.16 -4.38 6.14 4.77 -0.75 -4.84 117.00 120.75 2wc0 n LEU 253 Ca 0.02 -3.10 -0.31 0.00 -0.03 0.00 0.00 56.01 52.59 2wc0 n LEU 253 Cb 0.24 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2wc0 n LEU 253 CO 0.21 0.74 -0.54 -0.04 -1.33 0.00 0.00 177.39 176.42 2wc0 s MET 254 N -2.89 1.94 -0.03 3.23 -1.94 -0.88 -0.84 119.30 117.89 2wc0 s MET 254 Ca 0.50 -1.04 0.05 0.00 -1.71 0.00 0.00 55.69 53.50 2wc0 s MET 254 Cb 0.40 -2.06 -0.01 0.00 2.01 0.00 0.00 34.83 35.17 2wc0 s MET 254 CO 0.12 0.53 -0.19 0.00 -0.01 0.00 0.00 175.02 175.47 2wc0 s ALA 255 N -0.81 1.66 -0.01 3.03 0.00 -0.30 -1.85 121.76 123.47 2wc0 s ALA 255 Ca 0.12 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2wc0 s ALA 255 Cb -0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2wc0 s ALA 255 CO 0.02 0.36 -0.22 0.08 0.00 0.00 0.00 175.76 176.00 2wc0 s VAL 256 N -0.25 1.74 -0.01 0.00 1.01 0.05 -0.37 120.40 122.58 2wc0 s VAL 256 Ca 0.02 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2wc0 s VAL 256 Cb -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2wc0 s VAL 256 CO 0.01 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 2wc0 s VAL 257 N -0.55 1.25 -0.04 2.92 1.01 -0.65 -1.49 120.40 122.85 2wc0 s VAL 257 Ca 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2wc0 s VAL 257 Cb -0.09 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2wc0 s VAL 257 CO -0.01 0.32 0.08 -0.69 0.00 0.00 0.00 175.10 174.80 2wc0 s VAL 258 N -0.43 -0.06 -0.07 2.92 1.01 -0.87 -1.78 120.40 121.11 2wc0 s VAL 258 Ca 0.06 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2wc0 s VAL 258 Cb -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2wc0 s VAL 258 CO -0.00 0.09 -0.16 -0.22 0.00 0.00 0.00 175.10 174.80 2wc0 s LEU 259 N 1.16 1.80 0.16 3.92 0.20 -0.34 0.09 118.68 125.68 2wc0 s LEU 259 Ca -0.09 -0.38 -0.25 0.00 0.69 0.00 0.00 54.13 54.10 2wc0 s LEU 259 Cb -0.12 -1.02 0.06 0.00 -0.43 0.00 0.00 46.19 44.68 2wc0 s LEU 259 CO -0.04 0.08 0.95 -0.83 -0.29 0.00 0.00 176.35 176.22 2wc0 s GLY 260 N 0.52 -0.22 0.28 7.98 0.00 -0.68 -1.64 107.32 113.56 2wc0 s GLY 260 Ca -0.15 0.10 0.23 0.00 0.00 0.00 0.00 44.72 44.90 2wc0 s GLY 260 CO 0.05 -0.00 1.70 0.54 0.00 0.00 0.00 173.10 175.39 2wc0 n ARG 261 N -0.47 0.19 -1.50 2.90 1.74 -1.25 -2.22 116.66 116.04 2wc0 n ARG 261 Ca -0.06 0.48 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 2wc0 n ARG 261 Cb 0.61 -1.90 0.08 0.00 -1.02 0.00 0.00 32.46 30.23 2wc0 n ARG 261 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2wc0 s GLU 262 N -3.38 2.28 0.91 5.56 8.01 -1.26 -4.45 118.70 126.37 2wc0 s GLU 262 Ca 0.03 1.67 -0.11 0.00 0.01 0.00 0.00 54.97 56.56 2wc0 s GLU 262 Cb 0.09 -1.86 0.12 0.00 -4.31 0.00 0.00 34.13 28.17 2wc0 s GLU 262 CO 0.35 -1.71 1.03 -1.13 0.01 0.00 0.00 175.26 173.81 2wc0 n SER 263 N -2.66 0.02 -0.33 -0.19 3.41 -1.26 -4.68 113.62 107.93 2wc0 n SER 263 Ca 0.13 0.43 0.24 0.00 -0.26 0.00 0.00 58.87 59.41 2wc0 n SER 263 Cb 0.51 -1.44 0.48 0.00 -0.26 0.00 0.00 64.21 63.49 2wc0 n SER 263 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wc0 h LEU 264 N -1.71 0.33 -0.10 1.04 3.38 -1.94 0.28 115.31 116.59 2wc0 h LEU 264 Ca -0.43 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2wc0 h LEU 264 Cb 1.28 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2wc0 h LEU 264 CO 0.41 -0.25 -0.02 0.44 0.09 0.00 0.00 178.44 179.11 2wc0 h ASP 265 N 0.19 0.20 -0.54 -0.43 3.32 -1.99 0.59 116.42 117.75 2wc0 h ASP 265 Ca 0.74 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 57.46 2wc0 h ASP 265 Cb 1.75 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 41.21 2wc0 h ASP 265 CO -0.68 0.51 0.31 0.44 -1.72 0.00 0.00 179.24 178.10 2wc0 h ASP 266 N -0.12 0.49 -0.82 6.45 3.45 -1.77 -0.63 116.42 123.47 2wc0 h ASP 266 Ca 0.03 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2wc0 h ASP 266 Cb 0.43 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.07 2wc0 h ASP 266 CO 0.01 0.34 0.46 -0.07 -1.57 0.00 0.00 179.24 178.41 2wc0 h LEU 267 N 0.61 1.02 -0.21 1.55 3.38 -0.85 -1.21 115.31 119.61 2wc0 h LEU 267 Ca 0.23 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2wc0 h LEU 267 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2wc0 h LEU 267 CO -0.12 0.82 0.08 0.74 0.09 0.00 0.00 178.44 180.06 2wc0 h THR 268 N 1.14 0.97 -0.72 0.22 2.02 0.28 0.11 112.91 116.93 2wc0 h THR 268 Ca 0.29 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.47 2wc0 h THR 268 Cb 0.02 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 2wc0 h THR 268 CO -0.05 0.03 0.40 0.78 0.37 0.00 0.00 175.52 177.05 2wc0 h ASN 269 N 0.19 0.58 -0.46 4.18 2.35 -0.62 -0.54 115.58 121.25 2wc0 h ASN 269 Ca 0.09 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2wc0 h ASN 269 Cb 0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2wc0 h ASN 269 CO -0.08 0.36 0.28 0.25 -1.65 0.00 0.00 177.43 176.59 2wc0 h LEU 270 N 0.71 0.46 -0.15 1.61 7.12 -0.54 0.22 115.31 124.74 2wc0 h LEU 270 Ca 0.33 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.26 2wc0 h LEU 270 Cb 0.24 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2wc0 h LEU 270 CO -0.21 0.33 -0.21 0.58 -0.13 0.00 0.00 178.44 178.80 2wc0 h VAL 271 N 0.56 1.36 -0.36 1.05 2.07 0.09 -1.27 116.25 119.74 2wc0 h VAL 271 Ca 0.18 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.35 2wc0 h VAL 271 Cb -0.00 1.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 2wc0 h VAL 271 CO -0.07 0.42 -0.31 0.58 0.02 0.00 0.00 177.57 178.21 2wc0 h VAL 272 N 0.02 0.26 0.39 2.57 2.07 -1.04 0.12 116.25 120.63 2wc0 h VAL 272 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2wc0 h VAL 272 Cb 0.77 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2wc0 h VAL 272 CO 0.05 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 177.82 2wc0 h LYS 273 N -0.26 -0.68 0.00 1.57 3.64 -0.86 -2.15 116.57 117.84 2wc0 h LYS 273 Ca 0.16 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2wc0 h LYS 273 Cb 0.53 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2wc0 h LYS 273 CO -0.51 -0.45 -0.05 1.28 -2.27 0.00 0.00 179.45 177.46 2wc0 n LEU 274 N -5.44 0.61 -0.00 5.20 4.77 -0.49 -4.26 117.00 117.40 2wc0 n LEU 274 Ca -0.10 0.53 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 2wc0 n LEU 274 Cb 0.34 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2wc0 n LEU 274 CO 0.31 -0.13 -0.20 0.49 -1.33 0.00 0.00 177.39 176.53 2wc0 n PHE 275 N -2.06 0.00 0.02 -1.77 3.01 0.39 -4.53 117.46 112.51 2wc0 n PHE 275 Ca 0.06 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.71 2wc0 n PHE 275 Cb 0.41 -0.04 0.69 0.00 -0.01 0.00 0.00 39.48 40.53 2wc0 n PHE 275 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wc0 h SER 276 N 0.00 0.00 -0.02 4.37 0.02 -1.55 -2.02 113.55 114.35 2wc0 h SER 276 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wc0 h SER 276 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wc0 h SER 276 CO 0.00 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 173.85 2wc0 n GLU 277 N -4.38 1.46 -2.30 3.45 0.28 -1.26 -4.76 120.64 113.13 2wc0 n GLU 277 Ca 0.09 -0.67 -0.42 0.00 -0.16 0.00 0.00 57.16 56.00 2wc0 n GLU 277 Cb 0.57 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.93 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 -1.98 3.67 0.38 3.84 1.01 -0.76 -4.95 120.40 121.61 2wc0 s VAL 278 Ca 0.40 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.34 2wc0 s VAL 278 Cb 0.21 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 2wc0 s VAL 278 CO 0.34 0.10 1.09 -1.61 0.00 0.00 0.00 175.10 175.02 2wc0 s GLU 279 N 1.02 4.21 -0.27 2.72 2.02 -1.26 -4.66 118.70 122.48 2wc0 s GLU 279 Ca 0.61 1.66 -0.11 0.00 0.02 0.00 0.00 54.97 57.15 2wc0 s GLU 279 Cb -0.33 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 2wc0 s GLU 279 CO 0.30 -0.14 0.17 1.21 0.02 0.00 0.00 175.26 176.82 2wc0 s ASN 280 N -1.32 5.98 -0.15 -0.19 3.84 -1.26 -1.06 114.94 120.78 2wc0 s ASN 280 Ca 0.55 0.01 0.17 0.00 0.21 0.00 0.00 52.86 53.80 2wc0 s ASN 280 Cb -0.26 -2.10 0.42 0.00 -0.55 0.00 0.00 41.25 38.76 2wc0 s ASN 280 CO 0.33 -0.02 1.30 0.29 -2.79 0.00 0.00 177.10 176.22 2wc0 n LYS 281 N 4.84 2.32 -3.99 0.43 5.02 -1.26 -4.93 118.16 120.60 2wc0 n LYS 281 Ca -0.14 -2.68 -0.27 0.00 -2.02 0.00 0.00 58.31 53.20 2wc0 n LYS 281 Cb 0.52 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2wc0 n LYS 281 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wc0 n ASN 282 N -0.81 0.23 -4.69 4.39 3.02 -1.26 -4.85 115.26 111.28 2wc0 n ASN 282 Ca 0.18 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 2wc0 n ASN 282 Cb 0.76 -1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 2wc0 n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wc0 s VAL 283 N -4.09 4.05 0.43 2.41 1.01 -1.26 -4.96 120.40 117.99 2wc0 s VAL 283 Ca 0.05 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.19 2wc0 s VAL 283 Cb -0.03 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2wc0 s VAL 283 CO 0.81 0.02 1.35 -2.16 0.00 0.00 0.00 175.10 175.12 2wc0 s PRO 284 N 2.00 3.84 -0.07 2.72 0.04 -1.26 -4.89 135.00 137.38 2wc0 s PRO 284 Ca 0.59 2.25 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 2wc0 s PRO 284 Cb -0.28 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2wc0 s PRO 284 CO 0.25 -0.63 1.14 -1.17 0.04 0.00 0.00 177.00 176.63 2wc0 s LEU 285 N -2.57 4.27 0.34 -3.56 0.20 -1.26 -5.00 118.68 111.10 2wc0 s LEU 285 Ca 0.59 1.73 -0.29 0.00 0.69 0.00 0.00 54.13 56.85 2wc0 s LEU 285 Cb -0.40 -3.56 -0.11 0.00 -0.43 0.00 0.00 46.19 41.69 2wc0 s LEU 285 CO 0.51 -0.54 1.48 -2.84 -0.29 0.00 0.00 176.35 174.68 2wc0 s PRO 286 N 2.13 4.16 0.15 0.98 0.02 -1.26 -5.04 135.00 136.14 2wc0 s PRO 286 Ca 0.54 2.50 0.06 0.00 0.02 0.00 0.00 61.00 64.12 2wc0 s PRO 286 Cb -0.23 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2wc0 s PRO 286 CO 0.21 -0.50 -0.13 -1.21 -0.33 0.00 0.00 177.00 175.03 2wc0 s GLU 287 N -1.55 1.13 -0.38 5.54 0.41 -1.26 -4.84 118.70 117.75 2wc0 s GLU 287 Ca 0.55 -1.41 0.11 0.00 -0.41 0.00 0.00 54.97 53.82 2wc0 s GLU 287 Cb -0.46 -0.90 0.34 0.00 -1.78 0.00 0.00 34.13 31.33 2wc0 s GLU 287 CO 0.57 0.15 0.71 1.19 -0.49 0.00 0.00 175.26 177.39 2wc0 n PHE 288 N 0.06 0.28 0.16 1.61 3.72 0.76 -4.94 117.46 119.10 2wc0 n PHE 288 Ca -0.12 -3.80 0.17 0.00 -0.05 0.00 0.00 57.45 53.65 2wc0 n PHE 288 Cb 0.59 -0.42 0.77 0.00 -0.94 0.00 0.00 39.48 39.48 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 3.12 0.00 -5.70 -1.08 0.13 -1.82 -3.36 132.00 123.29 2wc0 h PRO 289 Ca 0.10 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.62 2wc0 h PRO 289 Cb 0.94 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.96 2wc0 h PRO 289 CO 0.51 0.00 0.33 -2.00 -0.23 0.00 0.00 178.00 176.61 2wc0 s GLU 290 N -4.78 3.92 0.20 0.86 2.12 -1.26 -4.85 118.70 114.90 2wc0 s GLU 290 Ca -0.05 0.48 -0.33 0.00 0.36 0.00 0.00 54.97 55.44 2wc0 s GLU 290 Cb 0.17 -3.74 -0.13 0.00 0.26 0.00 0.00 34.13 30.69 2wc0 s GLU 290 CO 0.61 -0.67 1.67 1.58 -0.54 0.00 0.00 175.26 177.91 2wc0 n HIS 291 N 6.14 2.61 0.06 5.30 -0.00 -1.26 -4.86 115.22 123.21 2wc0 n HIS 291 Ca 0.02 0.12 0.04 0.00 -0.00 0.00 0.00 57.72 57.90 2wc0 n HIS 291 Cb 0.48 -2.63 0.20 0.00 -0.00 0.00 0.00 29.99 28.04 2wc0 n HIS 291 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2wc0 n PRO 292 N 3.74 0.05 -3.82 1.57 -0.04 -1.26 -4.29 135.00 130.95 2wc0 n PRO 292 Ca 0.16 0.53 -0.36 0.00 -0.04 0.00 0.00 63.50 63.79 2wc0 n PRO 292 Cb 0.33 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 2wc0 n PRO 292 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wc0 s PHE 293 N -3.16 3.13 0.02 0.54 0.08 -1.26 -0.50 117.98 116.83 2wc0 s PHE 293 Ca -0.01 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.89 2wc0 s PHE 293 Cb 0.02 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2wc0 s PHE 293 CO 0.07 -0.62 0.02 1.04 -0.10 0.00 0.00 175.22 175.62 2wc0 n GLN 294 N 4.81 1.41 -0.29 0.44 1.13 -1.26 -4.93 117.38 118.68 2wc0 n GLN 294 Ca -0.15 -0.14 -0.08 0.00 -1.94 0.00 0.00 57.00 54.69 2wc0 n GLN 294 Cb 0.48 0.01 -0.07 0.00 0.11 0.00 0.00 30.24 30.77 2wc0 n GLN 294 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2wc0 n GLU 295 N -0.61 -0.30 0.00 -1.09 4.07 -1.26 -0.37 120.64 121.08 2wc0 n GLU 295 Ca -0.00 1.10 0.09 0.00 -0.06 0.00 0.00 57.16 58.29 2wc0 n GLU 295 Cb 0.03 -1.61 0.54 0.00 -0.06 0.00 0.00 31.44 30.33 2wc0 n GLU 295 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2wc0 n GLU 296 N -4.76 0.49 0.00 5.31 0.00 -1.26 -0.80 120.64 119.62 2wc0 n GLU 296 Ca 0.01 0.04 0.10 0.00 0.00 0.00 0.00 57.16 57.32 2wc0 n GLU 296 Cb 0.18 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.04 2wc0 n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2wc0 n HIS 297 N -1.10 0.00 -3.11 -1.84 8.25 0.50 -4.93 115.22 112.99 2wc0 n HIS 297 Ca 0.12 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.32 2wc0 n HIS 297 Cb 0.09 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.94 3.90 -1.36 2.41 1.43 0.02 -4.14 118.68 118.00 2wc0 s LEU 298 Ca 0.09 0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2wc0 s LEU 298 Cb 0.16 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.80 2wc0 s LEU 298 CO 0.82 -0.36 1.14 0.29 0.23 0.00 0.00 176.35 178.47 2wc0 n LYS 299 N -1.64 -7.53 -4.20 1.70 5.02 0.83 -4.97 118.16 107.36 2wc0 n LYS 299 Ca -0.02 0.81 -0.31 0.00 -2.02 0.00 0.00 58.31 56.77 2wc0 n LYS 299 Cb 0.55 -5.84 -0.09 0.00 -0.02 0.00 0.00 35.03 29.64 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 -6.22 2.57 -0.05 1.97 -1.52 -1.24 -1.02 119.66 114.15 2wc0 s GLN 300 Ca 0.51 -0.79 0.05 0.00 -1.95 0.00 0.00 55.36 53.18 2wc0 s GLN 300 Cb -0.23 -2.55 -0.01 0.00 -0.22 0.00 0.00 33.01 30.01 2wc0 s GLN 300 CO 0.74 0.56 -0.22 -1.17 -0.25 0.00 0.00 175.29 174.95 2wc0 s LEU 301 N -2.04 2.01 -0.09 2.90 2.96 0.97 -1.16 118.68 124.22 2wc0 s LEU 301 Ca 0.23 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2wc0 s LEU 301 Cb -0.12 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.35 2wc0 s LEU 301 CO 0.15 0.21 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.89 2wc0 s TYR 302 N -0.07 2.14 -0.18 5.38 1.51 -0.07 -1.39 117.35 124.68 2wc0 s TYR 302 Ca -0.04 -0.89 -0.04 0.00 -1.01 0.00 0.00 57.07 55.09 2wc0 s TYR 302 Cb -0.13 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2wc0 s TYR 302 CO 0.03 -0.39 -0.03 0.15 -1.11 0.00 0.00 175.55 174.20 2wc0 s LYS 303 N 0.55 3.61 -0.04 -0.62 1.02 -0.05 -1.77 119.74 122.45 2wc0 s LYS 303 Ca -0.15 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.34 2wc0 s LYS 303 Cb -0.17 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2wc0 s LYS 303 CO 0.05 0.11 -0.16 0.42 -0.92 0.00 0.00 175.35 174.86 2wc0 s ILE 304 N 0.70 1.34 -0.29 2.17 1.01 0.00 -0.97 121.20 125.16 2wc0 s ILE 304 Ca -0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 59.74 2wc0 s ILE 304 Cb -0.14 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 2wc0 s ILE 304 CO 0.02 0.39 0.75 -0.69 0.00 0.00 0.00 174.94 175.41 2wc0 s VAL 305 N 0.04 4.84 0.89 2.92 1.01 -0.77 -1.41 120.40 127.93 2wc0 s VAL 305 Ca -0.03 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.00 2wc0 s VAL 305 Cb -0.11 -4.10 0.17 0.00 0.00 0.00 0.00 36.38 32.34 2wc0 s VAL 305 CO 0.02 -0.18 1.24 -2.16 0.00 0.00 0.00 175.10 174.02 2wc0 s PRO 306 N 2.84 1.01 -0.15 2.72 0.04 -1.26 -4.61 135.00 135.60 2wc0 s PRO 306 Ca 0.31 -0.47 -0.20 0.00 0.04 0.00 0.00 61.00 60.68 2wc0 s PRO 306 Cb -0.15 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 2wc0 s PRO 306 CO 0.11 -2.12 0.38 0.82 0.04 0.00 0.00 177.00 176.23 2wc0 h ILE 307 N -1.35 1.05 -4.09 0.56 1.08 -1.97 -3.47 117.51 109.32 2wc0 h ILE 307 Ca -0.43 -1.94 -0.50 0.00 -0.39 0.00 0.00 64.86 61.60 2wc0 h ILE 307 Cb 1.25 2.14 0.06 0.00 -3.07 0.00 0.00 36.82 37.20 2wc0 h ILE 307 CO 0.42 0.36 0.31 -0.54 -0.69 0.00 0.00 178.15 178.01 2wc0 s LYS 308 N -2.16 3.36 -1.03 2.37 1.02 -1.26 -4.97 119.74 117.08 2wc0 s LYS 308 Ca -0.19 0.46 -0.19 0.00 0.02 0.00 0.00 55.97 56.08 2wc0 s LYS 308 Cb 0.01 -2.17 0.11 0.00 -0.52 0.00 0.00 37.83 35.26 2wc0 s LYS 308 CO 0.50 -0.58 1.31 0.34 -0.92 0.00 0.00 175.35 176.00 2wc0 s ASP 309 N -4.21 6.68 0.16 2.83 2.15 -1.26 -4.89 116.67 118.13 2wc0 s ASP 309 Ca 0.54 -2.07 0.08 0.00 0.43 0.00 0.00 52.55 51.53 2wc0 s ASP 309 Cb -0.11 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2wc0 s ASP 309 CO 0.50 -1.14 -0.17 0.27 -0.17 0.00 0.00 175.17 174.45 2wc0 s ILE 310 N 3.26 1.72 -0.22 4.11 -4.36 -1.26 -4.88 121.20 119.57 2wc0 s ILE 310 Ca 0.40 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.90 2wc0 s ILE 310 Cb -0.02 -1.78 0.06 0.00 1.25 0.00 0.00 42.46 41.97 2wc0 s ILE 310 CO -0.07 -0.33 0.01 -0.13 0.24 0.00 0.00 174.94 174.66 2wc0 s ARG 311 N -2.77 1.03 0.04 0.37 0.52 -1.25 -4.13 118.95 112.76 2wc0 s ARG 311 Ca 0.14 -0.72 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2wc0 s ARG 311 Cb -0.06 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2wc0 s ARG 311 CO 0.06 -0.66 -0.04 -0.80 0.02 0.00 0.00 175.30 173.88 2wc0 s ASN 312 N 1.65 0.43 -0.10 0.23 0.01 -0.65 -0.06 114.94 116.46 2wc0 s ASN 312 Ca -0.02 -0.73 0.04 0.00 -0.71 0.00 0.00 52.86 51.44 2wc0 s ASN 312 Cb -0.18 0.13 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 2wc0 s ASN 312 CO -0.09 -0.42 -0.22 -0.22 -1.51 0.00 0.00 177.10 174.64 2wc0 s LEU 313 N -2.13 2.20 -0.25 0.60 2.96 0.22 -0.50 118.68 121.78 2wc0 s LEU 313 Ca -0.05 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2wc0 s LEU 313 Cb -0.02 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.26 2wc0 s LEU 313 CO -0.05 0.18 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.79 2wc0 s TYR 314 N 0.23 3.09 -0.11 5.38 2.02 0.21 -0.71 117.35 127.45 2wc0 s TYR 314 Ca -0.14 -1.63 -0.01 0.00 -0.37 0.00 0.00 57.07 54.91 2wc0 s TYR 314 Cb -0.17 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 2wc0 s TYR 314 CO 0.07 -0.75 -0.06 0.08 -1.57 0.00 0.00 175.55 173.33 2wc0 s VAL 315 N 1.30 3.72 -0.06 0.71 1.01 -0.31 -1.02 120.40 125.76 2wc0 s VAL 315 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 2wc0 s VAL 315 Cb -0.17 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.67 2wc0 s VAL 315 CO -0.04 0.55 0.12 0.28 0.00 0.00 0.00 175.10 176.00 2wc0 s THR 316 N -0.17 -0.05 -0.09 3.92 -1.32 -0.54 -1.21 115.64 116.19 2wc0 s THR 316 Ca 0.02 0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.72 2wc0 s THR 316 Cb -0.13 -0.20 -0.01 0.00 -1.51 0.00 0.00 72.50 70.64 2wc0 s THR 316 CO 0.03 0.07 -0.20 -0.36 -2.21 0.00 0.00 174.62 171.95 2wc0 s PHE 317 N 1.09 2.61 0.30 9.09 0.40 -0.43 -0.67 117.98 130.38 2wc0 s PHE 317 Ca -0.09 -0.69 -0.29 0.00 -0.60 0.00 0.00 56.93 55.26 2wc0 s PHE 317 Cb -0.11 -1.70 -0.10 0.00 0.51 0.00 0.00 43.02 41.62 2wc0 s PHE 317 CO -0.05 -0.20 1.19 -2.14 0.70 0.00 0.00 175.22 174.72 2wc0 s PRO 318 N 0.02 4.51 0.10 0.24 0.02 -1.26 -0.85 135.00 137.78 2wc0 s PRO 318 Ca -0.07 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 2wc0 s PRO 318 Cb -0.15 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2wc0 s PRO 318 CO 0.05 0.03 0.01 0.96 -0.33 0.00 0.00 177.00 177.72 2wc0 s ILE 319 N -1.13 0.18 0.95 2.83 -4.36 -0.51 -4.87 121.20 114.29 2wc0 s ILE 319 Ca 0.47 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.87 2wc0 s ILE 319 Cb -0.35 -1.81 0.16 0.00 1.25 0.00 0.00 42.46 41.71 2wc0 s ILE 319 CO 0.46 -0.71 1.09 -2.16 0.24 0.00 0.00 174.94 173.86 2wc0 s PRO 320 N -3.98 0.83 0.03 0.37 0.04 -1.26 -1.89 135.00 129.13 2wc0 s PRO 320 Ca 0.16 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 2wc0 s PRO 320 Cb 0.08 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 2wc0 s PRO 320 CO -0.03 -2.53 1.62 0.34 0.04 0.00 0.00 177.00 176.43 2wc0 s ASP 321 N -3.29 6.65 0.00 6.66 3.68 -1.25 -4.15 116.67 124.97 2wc0 s ASP 321 Ca 0.65 2.38 0.21 0.00 2.13 0.00 0.00 52.55 57.91 2wc0 s ASP 321 Cb -0.19 -2.56 0.09 0.00 -1.45 0.00 0.00 42.92 38.82 2wc0 s ASP 321 CO 0.58 -0.87 1.11 0.18 0.13 0.00 0.00 175.17 176.30 2wc0 n LEU 322 N 5.90 2.41 -0.31 -1.34 4.77 -1.26 -4.56 117.00 122.61 2wc0 n LEU 322 Ca 0.16 -0.90 0.16 0.00 -0.03 0.00 0.00 56.01 55.40 2wc0 n LEU 322 Cb 0.41 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.85 2wc0 n LEU 322 CO 0.62 0.42 1.02 -0.61 -1.33 0.00 0.00 177.39 177.51 2wc0 h GLN 323 N 3.37 0.29 0.00 3.23 5.75 -2.00 0.26 115.11 126.01 2wc0 h GLN 323 Ca 0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2wc0 h GLN 323 Cb 0.81 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 2wc0 h GLN 323 CO 0.00 0.19 -0.17 1.57 -2.65 0.00 0.00 178.83 177.77 2wc0 h LYS 324 N 0.30 0.00 -1.63 1.69 2.10 -1.99 -1.86 116.57 115.18 2wc0 h LYS 324 Ca 0.60 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 59.07 2wc0 h LYS 324 Cb 1.24 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.48 2wc0 h LYS 324 CO -0.60 0.17 0.24 0.66 -2.00 0.00 0.00 179.45 177.92 2wc0 n TYR 325 N -4.20 0.90 0.27 0.07 4.01 0.90 -4.58 117.16 114.52 2wc0 n TYR 325 Ca -0.02 -1.48 0.17 0.00 -0.16 0.00 0.00 57.90 56.40 2wc0 n TYR 325 Cb 0.24 -0.73 0.65 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.15 0.00 0.00 -0.72 -0.00 -1.46 0.14 116.97 116.08 2wc0 h TYR 326 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.90 2wc0 h TYR 326 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.75 2wc0 h TYR 326 CO 0.55 0.02 0.00 0.87 -0.00 0.00 0.00 178.16 179.60 2wc0 h LYS 327 N 0.00 0.00 0.00 0.10 1.57 -1.88 -3.32 116.57 113.03 2wc0 h LYS 327 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2wc0 h LYS 327 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2wc0 h LYS 327 CO 0.00 0.00 -1.42 -1.13 -0.57 0.00 0.00 179.45 176.34 2wc0 n SER 328 N -3.02 3.48 -3.34 0.86 3.41 -1.02 -0.92 113.62 113.08 2wc0 n SER 328 Ca 0.01 -0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.44 2wc0 n SER 328 Cb 0.33 0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.48 -6.53 -0.30 4.04 4.05 0.45 -4.87 115.26 109.61 2wc0 n ASN 329 Ca -0.12 -0.64 -0.00 0.00 0.45 0.00 0.00 54.58 54.27 2wc0 n ASN 329 Cb 0.67 -4.62 0.13 0.00 1.23 0.00 0.00 39.78 37.18 2wc0 n ASN 329 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2wc0 h PRO 330 N -0.87 0.94 0.00 1.20 0.13 -1.94 -0.99 132.00 130.48 2wc0 h PRO 330 Ca -0.48 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2wc0 h PRO 330 Cb 1.25 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2wc0 h PRO 330 CO 0.41 0.62 -0.05 0.78 -0.23 0.00 0.00 178.00 179.54 2wc0 h GLY 331 N 0.97 0.00 0.65 1.56 0.00 -1.94 -1.53 103.07 102.79 2wc0 h GLY 331 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 2wc0 h GLY 331 CO -0.16 0.00 -0.40 0.84 0.00 0.00 0.00 176.54 176.82 2wc0 h HIS 332 N 0.00 0.45 -0.50 5.60 6.17 -1.56 -1.15 115.15 124.17 2wc0 h HIS 332 Ca -0.00 -0.23 0.09 0.00 0.71 0.00 0.00 60.37 60.94 2wc0 h HIS 332 Cb 0.50 -0.06 -0.08 0.00 2.52 0.00 0.00 27.41 30.29 2wc0 h HIS 332 CO 0.00 1.01 0.04 -0.92 0.71 0.00 0.00 177.93 178.77 2wc0 h TYR 333 N -0.24 0.04 -0.02 5.26 3.20 -1.24 0.36 116.97 124.33 2wc0 h TYR 333 Ca -0.04 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 2wc0 h TYR 333 Cb 1.10 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2wc0 h TYR 333 CO 0.15 -0.07 -0.74 -0.07 -1.64 0.00 0.00 178.16 175.78 2wc0 h LEU 334 N 0.16 0.20 -0.73 2.82 3.38 -1.28 -2.06 115.31 117.79 2wc0 h LEU 334 Ca 0.25 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wc0 h LEU 334 Cb 0.37 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2wc0 h LEU 334 CO -0.38 0.87 0.30 1.23 0.09 0.00 0.00 178.44 180.54 2wc0 h GLY 335 N 1.80 1.17 1.02 0.83 0.00 -0.08 0.16 103.07 107.96 2wc0 h GLY 335 Ca -0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2wc0 h GLY 335 CO 0.11 0.60 0.33 0.84 0.00 0.00 0.00 176.54 178.42 2wc0 h HIS 336 N 1.05 1.04 0.13 5.60 -0.00 -0.17 0.33 115.15 123.13 2wc0 h HIS 336 Ca 0.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 2wc0 h HIS 336 Cb 0.20 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2wc0 h HIS 336 CO 0.02 0.78 -0.06 -0.07 -0.00 0.00 0.00 177.93 178.59 2wc0 h LEU 337 N 1.00 -0.15 -0.93 0.26 4.07 -0.82 -2.87 115.31 115.88 2wc0 h LEU 337 Ca 0.24 -0.41 -0.10 0.00 0.08 0.00 0.00 57.88 57.70 2wc0 h LEU 337 Cb 0.14 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2wc0 h LEU 337 CO -0.03 0.41 -0.46 0.40 -1.08 0.00 0.00 178.44 177.69 2wc0 h ILE 338 N -0.79 1.11 -0.17 1.22 2.04 -0.66 -2.36 117.51 117.90 2wc0 h ILE 338 Ca -0.02 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2wc0 h ILE 338 Cb 0.55 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2wc0 h ILE 338 CO 0.03 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.24 2wc0 n GLY 339 N 0.15 0.39 3.68 5.37 0.00 0.12 -4.68 105.19 110.22 2wc0 n GLY 339 Ca -0.01 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 0.43 1.15 -0.28 1.61 -0.00 -0.89 -4.85 115.22 112.39 2wc0 n HIS 340 Ca 0.17 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.75 2wc0 n HIS 340 Cb 0.36 -2.10 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 2wc0 n HIS 340 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wc0 n GLU 341 N -3.03 0.30 -1.16 1.57 1.02 -1.26 -4.30 120.64 113.78 2wc0 n GLU 341 Ca 0.13 -0.66 -0.22 0.00 -0.02 0.00 0.00 57.16 56.39 2wc0 n GLU 341 Cb 0.50 -0.86 0.17 0.00 -0.02 0.00 0.00 31.44 31.23 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 -1.96 3.71 0.62 0.00 -1.26 -4.43 105.19 101.74 2wc0 n GLY 342 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2wc0 n GLY 342 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wc0 n PRO 343 N -3.51 2.13 0.00 1.61 -0.04 -1.26 -1.75 135.00 132.18 2wc0 n PRO 343 Ca 0.12 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2wc0 n PRO 343 Cb 0.44 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2wc0 n PRO 343 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wc0 n GLY 344 N 0.75 1.86 3.88 0.55 0.00 -1.26 -4.75 105.19 106.22 2wc0 n GLY 344 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.64 6.20 0.22 1.61 1.04 -0.72 -1.87 113.70 118.55 2wc0 s SER 345 Ca 0.00 1.25 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 2wc0 s SER 345 Cb 0.00 -2.37 0.26 0.00 0.10 0.00 0.00 66.02 64.01 2wc0 s SER 345 CO 0.00 -0.81 1.61 0.25 0.98 0.00 0.00 173.24 175.28 2wc0 h LEU 346 N -0.17 -0.67 -0.86 2.42 5.85 -1.83 -2.36 115.31 117.69 2wc0 h LEU 346 Ca -0.45 0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 2wc0 h LEU 346 Cb 1.20 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 2wc0 h LEU 346 CO 0.62 -0.23 -0.55 0.25 -0.34 0.00 0.00 178.44 178.18 2wc0 h LEU 347 N -0.01 0.00 -0.10 2.25 6.46 -1.86 -2.88 115.31 119.17 2wc0 h LEU 347 Ca 0.33 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 58.11 2wc0 h LEU 347 Cb 0.51 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2wc0 h LEU 347 CO -0.71 0.55 -0.04 0.28 -0.62 0.00 0.00 178.44 177.91 2wc0 h SER 348 N 0.00 -0.13 -0.44 1.25 0.02 -1.68 -0.33 113.55 112.24 2wc0 h SER 348 Ca -0.01 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2wc0 h SER 348 Cb 1.01 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2wc0 h SER 348 CO 0.07 -0.05 0.17 -0.08 -1.14 0.00 0.00 176.83 175.80 2wc0 h GLU 349 N -0.03 0.66 -0.03 3.45 4.57 -1.51 -1.36 114.58 120.33 2wc0 h GLU 349 Ca 0.05 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2wc0 h GLU 349 Cb 0.10 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2wc0 h GLU 349 CO -0.11 0.61 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.12 2wc0 h LEU 350 N 0.57 0.04 0.07 1.64 3.38 -1.22 -1.23 115.31 118.56 2wc0 h LEU 350 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wc0 h LEU 350 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2wc0 h LEU 350 CO -0.01 0.18 -0.03 0.50 0.09 0.00 0.00 178.44 179.17 2wc0 h LYS 351 N 0.05 -0.09 -0.98 1.13 3.64 -0.98 0.59 116.57 119.93 2wc0 h LYS 351 Ca 0.01 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 2wc0 h LYS 351 Cb 0.26 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 2wc0 h LYS 351 CO 0.02 0.46 0.61 0.77 -2.27 0.00 0.00 179.45 179.04 2wc0 h SER 352 N -0.72 0.71 0.00 4.20 0.02 -0.43 0.31 113.55 117.64 2wc0 h SER 352 Ca -0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2wc0 h SER 352 Cb 0.59 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2wc0 h SER 352 CO 0.01 0.28 0.00 0.29 -1.14 0.00 0.00 176.83 176.28 2wc0 n LYS 353 N -4.68 0.74 -2.23 3.45 5.02 -0.54 -4.89 118.16 115.04 2wc0 n LYS 353 Ca 0.22 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 2wc0 n LYS 353 Cb 0.57 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 2wc0 n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc0 n GLY 354 N 0.44 -0.07 0.12 0.72 0.00 0.11 -4.92 105.19 101.60 2wc0 n GLY 354 Ca 0.15 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2wc0 n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wc0 n TRP 355 N -3.79 0.39 -4.22 1.61 8.01 0.12 -4.09 117.44 115.47 2wc0 n TRP 355 Ca -0.21 0.09 -0.21 0.00 -1.31 0.00 0.00 57.50 55.87 2wc0 n TRP 355 Cb 0.65 -1.06 -0.12 0.00 -2.01 0.00 0.00 31.31 28.78 2wc0 n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2wc0 s VAL 356 N -2.53 1.36 -0.07 -0.99 -7.23 -0.74 -1.61 120.40 108.58 2wc0 s VAL 356 Ca -0.26 -1.41 0.18 0.00 -1.81 0.00 0.00 61.98 58.68 2wc0 s VAL 356 Cb 0.08 -1.28 -0.27 0.00 0.56 0.00 0.00 36.38 35.47 2wc0 s VAL 356 CO 0.69 -0.16 0.31 0.59 -0.31 0.00 0.00 175.10 176.22 2wc0 n ASN 357 N 1.18 0.68 -3.80 4.85 3.02 -1.25 -3.72 115.26 116.22 2wc0 n ASN 357 Ca -0.20 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.24 2wc0 n ASN 357 Cb 0.54 1.58 -0.08 0.00 -0.61 0.00 0.00 39.78 41.22 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 -3.04 0.11 -0.00 3.41 -4.23 -1.26 -5.03 115.64 105.59 2wc0 s THR 358 Ca -0.07 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 2wc0 s THR 358 Cb 0.10 -1.03 -0.00 0.00 1.34 0.00 0.00 72.50 72.91 2wc0 s THR 358 CO 0.77 -0.48 0.07 -0.22 -0.54 0.00 0.00 174.62 174.22 2wc0 s LEU 359 N -2.30 1.79 -0.01 4.79 0.20 -1.26 -2.65 118.68 119.24 2wc0 s LEU 359 Ca -0.02 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.64 2wc0 s LEU 359 Cb 0.01 0.39 0.01 0.00 -0.43 0.00 0.00 46.19 46.16 2wc0 s LEU 359 CO -0.06 -0.24 -0.01 0.54 -0.29 0.00 0.00 176.35 176.29 2wc0 s VAL 360 N -0.94 0.16 0.03 1.68 0.11 -0.40 -4.97 120.40 116.07 2wc0 s VAL 360 Ca -0.10 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 2wc0 s VAL 360 Cb -0.06 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2wc0 s VAL 360 CO 0.00 0.08 0.09 -0.83 -3.33 0.00 0.00 175.10 171.11 2wc0 s GLY 361 N 0.29 0.15 0.00 6.54 0.00 -1.26 -1.69 107.32 111.34 2wc0 s GLY 361 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2wc0 s GLY 361 CO -0.01 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2wc0 n GLY 362 N 1.05 0.95 3.82 0.20 0.00 -0.66 -4.64 105.19 105.90 2wc0 n GLY 362 Ca -0.21 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.85 4.22 -0.05 1.61 -2.07 -1.26 -0.84 119.66 119.42 2wc0 s GLN 363 Ca 0.00 0.80 0.03 0.00 -1.82 0.00 0.00 55.36 54.36 2wc0 s GLN 363 Cb 0.00 -2.99 0.01 0.00 -1.09 0.00 0.00 33.01 28.93 2wc0 s GLN 363 CO 0.00 0.47 -0.12 0.21 -1.32 0.00 0.00 175.29 174.53 2wc0 s LYS 364 N -1.73 1.54 0.56 9.60 2.20 -0.34 -4.92 119.74 126.66 2wc0 s LYS 364 Ca 0.39 -0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 55.40 2wc0 s LYS 364 Cb -0.17 -1.31 -0.05 0.00 -1.51 0.00 0.00 37.83 34.79 2wc0 s LYS 364 CO 0.21 0.08 1.09 -1.21 -0.36 0.00 0.00 175.35 175.15 2wc0 s GLU 365 N 0.48 3.34 0.00 4.03 2.02 -1.26 -0.92 118.70 126.39 2wc0 s GLU 365 Ca -0.11 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.31 2wc0 s GLU 365 Cb -0.14 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.07 2wc0 s GLU 365 CO 0.03 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.89 2wc0 n GLY 366 N -0.29 0.87 1.72 -1.39 0.00 -1.06 -4.74 105.19 100.31 2wc0 n GLY 366 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.00 -0.26 -1.57 4.61 0.00 -0.60 -4.98 120.51 114.70 2wc0 n ALA 367 Ca 0.00 -0.80 -0.46 0.00 0.00 0.00 0.00 53.44 52.18 2wc0 n ALA 367 Cb 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.29 1.76 0.00 0.00 1.74 -1.26 -1.66 116.66 116.96 2wc0 n ARG 368 Ca -0.00 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2wc0 n ARG 368 Cb 0.30 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 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 5.71 0.63 3.36 -0.13 0.00 -1.26 -0.17 105.19 113.33 2wc0 n GLY 369 Ca 0.32 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.81 -0.41 0.33 1.61 -0.12 -0.66 -3.89 117.98 114.03 2wc0 s PHE 370 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 56.93 57.62 2wc0 s PHE 370 Cb 0.00 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 2wc0 s PHE 370 CO 0.00 -0.45 0.40 -1.64 -0.05 0.00 0.00 175.22 173.48 2wc0 s MET 371 N -1.05 1.83 0.04 1.99 -1.94 -0.79 -1.56 119.30 117.81 2wc0 s MET 371 Ca -0.11 -1.82 -0.01 0.00 -1.71 0.00 0.00 55.69 52.04 2wc0 s MET 371 Cb -0.03 0.40 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 2wc0 s MET 371 CO 0.06 -0.73 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.27 2wc0 s PHE 372 N -3.24 0.38 -0.12 -0.03 0.40 -0.10 -1.43 117.98 113.85 2wc0 s PHE 372 Ca 0.34 -0.80 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 2wc0 s PHE 372 Cb 0.01 -0.28 0.01 0.00 0.51 0.00 0.00 43.02 43.27 2wc0 s PHE 372 CO 0.22 -0.32 -0.19 0.12 0.70 0.00 0.00 175.22 175.76 2wc0 s PHE 373 N -2.91 2.30 0.25 0.36 2.19 -0.03 -1.19 117.98 118.95 2wc0 s PHE 373 Ca -0.02 -1.11 0.11 0.00 0.33 0.00 0.00 56.93 56.23 2wc0 s PHE 373 Cb 0.01 -1.60 -0.05 0.00 -1.31 0.00 0.00 43.02 40.07 2wc0 s PHE 373 CO -0.06 -0.53 -0.11 0.96 1.83 0.00 0.00 175.22 177.31 2wc0 s ILE 374 N 0.88 2.96 -0.15 3.12 -5.25 -0.02 -1.31 121.20 121.43 2wc0 s ILE 374 Ca -0.07 -2.07 -0.04 0.00 -0.99 0.00 0.00 60.65 57.47 2wc0 s ILE 374 Cb -0.15 -2.54 0.07 0.00 2.95 0.00 0.00 42.46 42.78 2wc0 s ILE 374 CO -0.01 -0.32 0.22 -0.63 -1.79 0.00 0.00 174.94 172.40 2wc0 s ILE 375 N -2.25 -0.33 0.01 8.37 1.01 -0.35 -1.65 121.20 126.00 2wc0 s ILE 375 Ca 0.29 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.10 2wc0 s ILE 375 Cb -0.06 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 2wc0 s ILE 375 CO 0.17 -0.01 -0.08 0.20 0.00 0.00 0.00 174.94 175.22 2wc0 s ASN 376 N 2.34 0.88 0.03 3.58 0.01 -0.68 -1.16 114.94 119.94 2wc0 s ASN 376 Ca 0.04 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 51.97 2wc0 s ASN 376 Cb -0.14 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 2wc0 s ASN 376 CO -0.09 0.03 -0.03 0.68 -1.51 0.00 0.00 177.10 176.17 2wc0 s VAL 377 N -0.42 0.19 0.41 1.60 -7.23 0.11 -1.27 120.40 113.79 2wc0 s VAL 377 Ca 0.00 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2wc0 s VAL 377 Cb -0.04 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2wc0 s VAL 377 CO -0.00 -0.65 0.72 1.51 -0.31 0.00 0.00 175.10 176.37 2wc0 s ASP 378 N -1.94 6.37 -0.05 4.85 3.84 -1.08 -0.61 116.67 128.05 2wc0 s ASP 378 Ca -0.08 0.90 0.06 0.00 -0.00 0.00 0.00 52.55 53.43 2wc0 s ASP 378 Cb -0.04 -2.23 -0.01 0.00 -1.38 0.00 0.00 42.92 39.26 2wc0 s ASP 378 CO -0.04 -0.43 -0.22 -0.76 -0.00 0.00 0.00 175.17 173.72 2wc0 s LEU 379 N -4.23 2.01 1.13 2.11 1.43 0.92 -3.82 118.68 118.23 2wc0 s LEU 379 Ca 0.47 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 2wc0 s LEU 379 Cb -0.10 -1.21 0.26 0.00 0.03 0.00 0.00 46.19 45.17 2wc0 s LEU 379 CO 0.37 0.21 1.19 0.42 0.23 0.00 0.00 176.35 178.77 2wc0 s THR 380 N -0.12 1.72 0.26 5.49 -4.23 -0.63 -4.67 115.64 113.45 2wc0 s THR 380 Ca -0.03 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 2wc0 s THR 380 Cb -0.13 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.06 2wc0 s THR 380 CO 0.03 0.00 1.64 -0.33 -0.54 0.00 0.00 174.62 175.42 2wc0 h GLU 381 N -2.30 0.33 0.05 3.99 5.08 -1.89 -1.66 114.58 118.17 2wc0 h GLU 381 Ca -0.44 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2wc0 h GLU 381 Cb 1.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wc0 h GLU 381 CO 0.34 0.72 -0.03 1.49 -1.00 0.00 0.00 179.01 180.53 2wc0 h GLU 382 N 0.27 -0.07 -1.10 2.33 4.57 -1.91 -2.27 114.58 116.39 2wc0 h GLU 382 Ca 0.02 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.51 2wc0 h GLU 382 Cb 0.91 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.42 2wc0 h GLU 382 CO 0.07 0.19 0.72 0.78 -1.18 0.00 0.00 179.01 179.60 2wc0 h GLY 383 N -0.33 1.09 2.00 1.92 0.00 -1.63 0.22 103.07 106.34 2wc0 h GLY 383 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 2wc0 h GLY 383 CO 0.01 -0.17 -0.23 -2.00 0.00 0.00 0.00 176.54 174.15 2wc0 h LEU 384 N 0.29 0.00 -2.20 3.11 5.85 -0.69 -1.50 115.31 120.17 2wc0 h LEU 384 Ca 0.63 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2wc0 h LEU 384 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2wc0 h LEU 384 CO -0.28 0.23 0.00 0.18 -0.34 0.00 0.00 178.44 178.23 2wc0 n LEU 385 N -3.83 3.30 -0.33 2.25 4.77 0.79 -3.96 117.00 119.99 2wc0 n LEU 385 Ca -0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 2wc0 n LEU 385 Cb 0.33 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2wc0 n LEU 385 CO 0.34 0.49 0.22 1.41 -1.33 0.00 0.00 177.39 178.52 2wc0 n HIS 386 N 0.46 0.00 -0.29 -1.77 8.25 -0.58 -4.87 115.22 116.42 2wc0 n HIS 386 Ca 0.15 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 2wc0 n HIS 386 Cb 0.67 0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.90 2wc0 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wc0 n VAL 387 N 0.00 -0.38 -0.22 1.59 0.31 -1.11 -0.16 118.33 118.36 2wc0 n VAL 387 Ca 0.00 1.80 0.02 0.00 -0.01 0.00 0.00 64.34 66.15 2wc0 n VAL 387 Cb 0.58 -2.41 0.13 0.00 -0.91 0.00 0.00 33.84 31.23 2wc0 n VAL 387 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wc0 h GLU 388 N 0.00 0.34 -0.14 5.55 4.81 -1.92 -1.36 114.58 121.86 2wc0 h GLU 388 Ca 0.30 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 2wc0 h GLU 388 Cb 0.49 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2wc0 h GLU 388 CO -0.78 0.22 -0.60 -0.44 -0.73 0.00 0.00 179.01 176.69 2wc0 h ASP 389 N 0.35 0.51 -0.23 1.04 3.32 -0.93 -2.58 116.42 117.89 2wc0 h ASP 389 Ca 0.35 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wc0 h ASP 389 Cb 0.51 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2wc0 h ASP 389 CO -0.39 0.99 0.13 0.40 -1.72 0.00 0.00 179.24 178.65 2wc0 h ILE 390 N 0.34 1.09 -0.45 0.35 2.04 -0.49 -0.50 117.51 119.89 2wc0 h ILE 390 Ca -0.00 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2wc0 h ILE 390 Cb 1.13 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2wc0 h ILE 390 CO 0.11 0.09 0.30 0.40 0.00 0.00 0.00 178.15 179.05 2wc0 h ILE 391 N 0.28 1.02 -0.23 -0.67 2.04 -1.18 -0.77 117.51 117.99 2wc0 h ILE 391 Ca 0.08 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 2wc0 h ILE 391 Cb 0.03 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2wc0 h ILE 391 CO -0.01 0.08 -0.42 0.25 0.00 0.00 0.00 178.15 178.05 2wc0 h LEU 392 N 0.46 0.59 -0.49 1.44 5.85 -0.95 0.23 115.31 122.44 2wc0 h LEU 392 Ca 0.19 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2wc0 h LEU 392 Cb 0.18 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2wc0 h LEU 392 CO -0.05 0.94 0.23 0.45 -0.34 0.00 0.00 178.44 179.68 2wc0 h HIS 393 N 0.45 0.72 -0.75 1.25 3.86 -0.15 0.21 115.15 120.74 2wc0 h HIS 393 Ca 0.04 -0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.36 2wc0 h HIS 393 Cb 0.93 -0.22 -0.10 0.00 1.06 0.00 0.00 27.41 29.08 2wc0 h HIS 393 CO 0.04 0.57 0.26 0.52 0.86 0.00 0.00 177.93 180.18 2wc0 h MET 394 N 0.65 0.37 -0.00 2.45 2.86 -0.58 0.23 114.93 120.91 2wc0 h MET 394 Ca 0.17 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.64 2wc0 h MET 394 Cb 0.12 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2wc0 h MET 394 CO -0.02 0.25 -0.68 0.74 1.06 0.00 0.00 176.91 178.26 2wc0 h PHE 395 N 0.38 0.02 -0.59 -0.22 -1.00 0.04 0.80 116.94 116.37 2wc0 h PHE 395 Ca 0.42 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 61.09 2wc0 h PHE 395 Cb 0.66 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.20 2wc0 h PHE 395 CO -0.19 0.69 -0.00 1.96 -1.61 0.00 0.00 178.31 179.15 2wc0 h GLN 396 N 0.01 1.03 -0.25 1.51 4.20 0.11 0.95 115.11 122.68 2wc0 h GLN 396 Ca -0.01 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 2wc0 h GLN 396 Cb 1.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2wc0 h GLN 396 CO 0.09 1.01 -0.08 -0.92 -0.67 0.00 0.00 178.83 178.27 2wc0 h TYR 397 N 0.95 0.56 -0.98 2.96 3.20 -0.03 -1.88 116.97 121.74 2wc0 h TYR 397 Ca 0.17 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2wc0 h TYR 397 Cb 0.55 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 2wc0 h TYR 397 CO 0.04 0.72 0.64 0.82 -1.64 0.00 0.00 178.16 178.74 2wc0 h ILE 398 N 0.23 1.14 -0.67 1.81 2.04 -0.66 -1.84 117.51 119.57 2wc0 h ILE 398 Ca 0.06 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.53 2wc0 h ILE 398 Cb 0.55 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 2wc0 h ILE 398 CO 0.03 0.22 0.42 -0.61 0.00 0.00 0.00 178.15 178.20 2wc0 h GLN 399 N 1.21 0.79 -0.78 2.37 5.75 -0.67 -0.65 115.11 123.14 2wc0 h GLN 399 Ca 0.40 -0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.98 2wc0 h GLN 399 Cb 0.06 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 2wc0 h GLN 399 CO -0.14 0.53 0.51 -0.22 -2.65 0.00 0.00 178.83 176.85 2wc0 h LYS 400 N 0.82 0.57 -0.21 1.69 1.63 -0.50 0.21 116.57 120.78 2wc0 h LYS 400 Ca 0.27 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 2wc0 h LYS 400 Cb 0.01 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2wc0 h LYS 400 CO -0.10 0.38 -0.24 -0.07 -3.45 0.00 0.00 179.45 175.96 2wc0 h LEU 401 N 0.58 0.58 -0.78 5.20 3.38 -0.79 -0.52 115.31 122.97 2wc0 h LEU 401 Ca 0.37 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2wc0 h LEU 401 Cb 0.64 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2wc0 h LEU 401 CO -0.14 0.96 0.46 0.03 0.09 0.00 0.00 178.44 179.83 2wc0 h ARG 402 N 0.22 0.79 -0.55 1.13 3.08 0.01 -1.96 114.38 117.10 2wc0 h ARG 402 Ca 0.03 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2wc0 h ARG 402 Cb 0.80 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2wc0 h ARG 402 CO 0.06 0.52 0.06 0.00 -1.07 0.00 0.00 179.97 179.54 2wc0 h ALA 403 N 1.40 0.73 -0.00 0.04 0.00 -0.42 -2.59 119.26 118.42 2wc0 h ALA 403 Ca 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wc0 h ALA 403 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wc0 h ALA 403 CO -0.20 0.51 -0.14 0.39 0.00 0.00 0.00 179.25 179.81 2wc0 n GLU 404 N -4.32 0.07 -1.32 0.00 -0.58 -0.22 -5.07 120.64 109.20 2wc0 n GLU 404 Ca 0.02 -0.02 0.16 0.00 -0.42 0.00 0.00 57.16 56.90 2wc0 n GLU 404 Cb 0.29 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 2wc0 n GLU 404 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc0 n GLY 405 N 1.47 -2.18 3.56 0.62 0.00 -0.77 -4.90 105.19 102.99 2wc0 n GLY 405 Ca 0.08 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.96 0.20 -3.58 1.61 -0.02 -1.26 -4.96 135.00 123.03 2wc0 n PRO 406 Ca -0.03 0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 2wc0 n PRO 406 Cb 0.66 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.86 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 -3.49 0.10 0.43 -0.52 -1.52 -1.26 -4.99 119.66 108.41 2wc0 s GLN 407 Ca 0.68 -0.09 0.21 0.00 -1.95 0.00 0.00 55.36 54.21 2wc0 s GLN 407 Cb -0.30 -1.62 0.98 0.00 -0.22 0.00 0.00 33.01 31.85 2wc0 s GLN 407 CO 0.56 -0.72 1.89 1.49 -0.25 0.00 0.00 175.29 178.25 2wc0 h GLU 408 N 8.40 0.00 -0.16 2.91 4.81 -2.00 -2.38 114.58 126.17 2wc0 h GLU 408 Ca -0.16 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 2wc0 h GLU 408 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2wc0 h GLU 408 CO 0.31 0.27 -0.34 0.11 -0.73 0.00 0.00 179.01 178.62 2wc0 h TRP 409 N 0.00 0.37 0.02 0.92 5.08 -1.99 0.12 115.95 120.47 2wc0 h TRP 409 Ca -0.00 -0.09 -0.00 0.00 1.08 0.00 0.00 58.89 59.88 2wc0 h TRP 409 Cb 0.62 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 2wc0 h TRP 409 CO 0.00 0.63 -0.01 0.28 -1.28 0.00 0.00 178.44 178.06 2wc0 h VAL 410 N 0.28 1.13 -0.78 0.12 2.07 -1.87 -0.70 116.25 116.50 2wc0 h VAL 410 Ca 0.03 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 67.24 2wc0 h VAL 410 Cb 0.74 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 2wc0 h VAL 410 CO 0.06 0.12 0.33 0.15 0.02 0.00 0.00 177.57 178.25 2wc0 h PHE 411 N -0.23 0.57 -0.64 1.57 3.57 -1.28 -0.23 116.94 120.26 2wc0 h PHE 411 Ca -0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2wc0 h PHE 411 Cb 0.22 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2wc0 h PHE 411 CO -0.01 0.08 0.23 0.37 -2.23 0.00 0.00 178.31 176.75 2wc0 h GLN 412 N 0.48 0.95 -0.16 1.11 -0.00 -0.43 0.25 115.11 117.31 2wc0 h GLN 412 Ca 0.43 -0.17 -0.03 0.00 -0.00 0.00 0.00 58.65 58.88 2wc0 h GLN 412 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 2wc0 h GLN 412 CO -0.40 0.80 -0.01 0.93 0.00 0.00 0.00 178.83 180.14 2wc0 h GLU 413 N 0.93 0.29 -0.69 1.69 5.08 -0.54 0.14 114.58 121.48 2wc0 h GLU 413 Ca 0.21 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2wc0 h GLU 413 Cb 0.22 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2wc0 h GLU 413 CO -0.01 0.53 0.38 -0.07 -1.00 0.00 0.00 179.01 178.84 2wc0 h LEU 414 N 0.02 0.56 -0.73 1.33 4.07 -0.56 -0.68 115.31 119.32 2wc0 h LEU 414 Ca 0.04 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.98 2wc0 h LEU 414 Cb 0.41 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2wc0 h LEU 414 CO 0.01 0.35 0.24 0.50 -1.08 0.00 0.00 178.44 178.47 2wc0 h LYS 415 N 0.69 1.12 -0.20 1.13 3.64 -0.14 -0.74 116.57 122.07 2wc0 h LYS 415 Ca 0.31 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2wc0 h LYS 415 Cb 0.22 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wc0 h LYS 415 CO -0.20 0.95 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.92 2wc0 h ASP 416 N 1.07 0.85 -0.88 4.20 3.32 -0.24 -0.18 116.42 124.57 2wc0 h ASP 416 Ca 0.24 -0.58 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2wc0 h ASP 416 Cb 0.28 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2wc0 h ASP 416 CO -0.01 1.28 0.45 -0.07 -1.72 0.00 0.00 179.24 179.17 2wc0 h LEU 417 N 0.46 1.12 -0.36 1.55 4.07 -1.05 -1.14 115.31 119.95 2wc0 h LEU 417 Ca -0.01 -0.12 -0.18 0.00 0.08 0.00 0.00 57.88 57.65 2wc0 h LEU 417 Cb 1.19 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 2wc0 h LEU 417 CO 0.12 0.92 -0.82 0.78 -1.08 0.00 0.00 178.44 178.36 2wc0 h ASN 418 N 1.24 0.07 -0.06 -0.43 4.21 -0.95 -1.36 115.58 118.30 2wc0 h ASN 418 Ca 0.30 -0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.72 2wc0 h ASN 418 Cb 0.08 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 2wc0 h ASN 418 CO -0.04 0.86 -0.06 0.00 -1.29 0.00 0.00 177.43 176.90 2wc0 h ALA 419 N 1.14 1.57 0.05 -0.83 0.00 -0.36 0.27 119.26 121.10 2wc0 h ALA 419 Ca -0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 2wc0 h ALA 419 Cb 1.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2wc0 h ALA 419 CO 0.11 0.32 -0.99 0.28 0.00 0.00 0.00 179.25 178.97 2wc0 h VAL 420 N 0.27 1.21 -0.78 0.00 2.07 -1.01 0.27 116.25 118.29 2wc0 h VAL 420 Ca 0.06 -2.33 0.18 0.00 0.82 0.00 0.00 66.70 65.43 2wc0 h VAL 420 Cb 0.28 2.76 -0.14 0.00 -1.52 0.00 0.00 31.29 32.67 2wc0 h VAL 420 CO 0.01 0.57 0.01 0.00 0.02 0.00 0.00 177.57 178.18 2wc0 h ALA 421 N -0.16 0.83 0.28 1.67 0.00 -1.22 -0.50 119.26 120.16 2wc0 h ALA 421 Ca -0.23 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wc0 h ALA 421 Cb 1.43 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2wc0 h ALA 421 CO -0.03 -0.43 -0.13 0.35 0.00 0.00 0.00 179.25 179.00 2wc0 h PHE 422 N 0.10 -0.35 -0.90 0.00 3.57 -0.81 0.26 116.94 118.81 2wc0 h PHE 422 Ca 0.43 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 62.17 2wc0 h PHE 422 Cb 0.77 0.11 -0.14 0.00 2.79 0.00 0.00 35.95 39.48 2wc0 h PHE 422 CO -0.43 -0.04 0.31 -0.09 -2.23 0.00 0.00 178.31 175.83 2wc0 h ARG 423 N -0.65 0.24 0.00 1.11 2.43 0.37 -2.75 114.38 115.14 2wc0 h ARG 423 Ca -0.04 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2wc0 h ARG 423 Cb 0.46 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2wc0 h ARG 423 CO 0.06 0.16 -0.24 1.19 -1.51 0.00 0.00 179.97 179.63 2wc0 n PHE 424 N -5.18 0.00 -1.51 2.20 3.01 -0.27 -4.44 117.46 111.26 2wc0 n PHE 424 Ca 0.23 -1.17 -0.56 0.00 1.01 0.00 0.00 57.45 56.96 2wc0 n PHE 424 Cb 0.73 -0.19 -0.07 0.00 -0.01 0.00 0.00 39.48 39.94 2wc0 n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2wc0 n LYS 425 N -1.23 0.31 -1.64 -1.08 4.81 0.88 -4.93 118.16 115.27 2wc0 n LYS 425 Ca 0.17 0.11 -0.46 0.00 -0.87 0.00 0.00 58.31 57.26 2wc0 n LYS 425 Cb 0.67 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 2wc0 n LYS 425 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wc0 n ASP 426 N 1.78 2.25 -4.70 3.14 8.00 -1.26 -4.94 116.55 120.81 2wc0 n ASP 426 Ca 0.19 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.42 2wc0 n ASP 426 Cb 0.13 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.84 2wc0 n ASP 426 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2wc0 s LYS 427 N -0.57 4.16 0.58 -1.24 2.20 -1.26 -4.99 119.74 118.62 2wc0 s LYS 427 Ca 0.68 2.51 -0.14 0.00 -0.36 0.00 0.00 55.97 58.66 2wc0 s LYS 427 Cb -0.71 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 2wc0 s LYS 427 CO 0.52 -0.76 1.02 -1.21 -0.36 0.00 0.00 175.35 174.56 2wc0 s GLU 428 N 2.06 3.59 0.16 4.03 8.01 -1.26 -4.43 118.70 130.85 2wc0 s GLU 428 Ca 0.76 0.97 -0.30 0.00 0.01 0.00 0.00 54.97 56.41 2wc0 s GLU 428 Cb -0.45 -2.08 -0.08 0.00 -4.31 0.00 0.00 34.13 27.21 2wc0 s GLU 428 CO 0.34 -0.58 1.27 1.03 0.01 0.00 0.00 175.26 177.33 2wc0 s ARG 429 N -4.44 4.42 0.23 1.61 0.52 -1.26 -4.93 118.95 115.09 2wc0 s ARG 429 Ca 0.59 1.96 -0.13 0.00 -0.52 0.00 0.00 55.73 57.63 2wc0 s ARG 429 Cb -0.12 -3.24 0.29 0.00 0.52 0.00 0.00 34.95 32.40 2wc0 s ARG 429 CO 0.41 -0.23 1.60 -1.35 0.02 0.00 0.00 175.30 175.75 2wc0 h PRO 430 N 5.77 -0.01 -0.31 3.54 0.11 -1.97 -2.70 132.00 136.43 2wc0 h PRO 430 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 2wc0 h PRO 430 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2wc0 h PRO 430 CO 0.78 -0.01 -0.14 -0.09 -0.21 0.00 0.00 178.00 178.33 2wc0 h ARG 431 N -0.01 -0.09 -0.35 1.05 2.43 -1.91 0.33 114.38 115.82 2wc0 h ARG 431 Ca 0.35 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2wc0 h ARG 431 Cb 0.55 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2wc0 h ARG 431 CO -0.77 -0.06 0.02 0.78 -1.51 0.00 0.00 179.97 178.42 2wc0 h GLY 432 N -0.09 0.58 0.46 2.80 0.00 -1.89 -2.48 103.07 102.45 2wc0 h GLY 432 Ca 0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wc0 h GLY 432 CO -0.37 0.32 -0.02 -1.82 0.00 0.00 0.00 176.54 174.65 2wc0 h TYR 433 N 0.52 -0.06 -0.70 5.60 3.20 -1.10 -0.65 116.97 123.78 2wc0 h TYR 433 Ca 0.11 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2wc0 h TYR 433 Cb 0.31 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 2wc0 h TYR 433 CO 0.01 0.45 0.45 1.79 -1.64 0.00 0.00 178.16 179.22 2wc0 h THR 434 N -0.61 1.15 -0.43 1.81 1.35 -0.99 -1.27 112.91 113.92 2wc0 h THR 434 Ca -0.01 -0.31 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 2wc0 h THR 434 Cb 0.54 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.08 2wc0 h THR 434 CO 0.01 0.17 0.22 -1.28 -0.25 0.00 0.00 175.52 174.38 2wc0 h SER 435 N 0.91 0.32 0.37 5.36 0.87 -1.34 -0.94 113.55 119.09 2wc0 h SER 435 Ca 0.27 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2wc0 h SER 435 Cb -0.06 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2wc0 h SER 435 CO -0.08 0.23 -0.18 0.50 -0.53 0.00 0.00 176.83 176.77 2wc0 h LYS 436 N 0.43 -0.47 -0.79 2.24 1.63 -0.84 -3.08 116.57 115.69 2wc0 h LYS 436 Ca 0.18 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 2wc0 h LYS 436 Cb 0.08 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.77 2wc0 h LYS 436 CO -0.12 -0.23 0.52 0.82 -3.45 0.00 0.00 179.45 176.98 2wc0 h ILE 437 N -0.63 1.06 -0.75 2.00 1.08 -1.09 -1.98 117.51 117.20 2wc0 h ILE 437 Ca -0.05 -0.30 0.11 0.00 -0.39 0.00 0.00 64.86 64.23 2wc0 h ILE 437 Cb 0.46 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.23 2wc0 h ILE 437 CO 0.08 0.16 0.36 0.00 -0.69 0.00 0.00 178.15 178.07 2wc0 h ALA 438 N 1.56 1.05 -0.27 1.87 0.00 -1.14 0.30 119.26 122.63 2wc0 h ALA 438 Ca 0.34 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 2wc0 h ALA 438 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wc0 h ALA 438 CO -0.11 -0.07 -0.42 0.78 0.00 0.00 0.00 179.25 179.42 2wc0 h GLY 439 N 0.59 0.84 1.49 0.00 0.00 -1.29 -3.22 103.07 101.46 2wc0 h GLY 439 Ca 0.38 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2wc0 h GLY 439 CO -0.31 0.84 -0.27 0.29 0.00 0.00 0.00 176.54 177.10 2wc0 n ILE 440 N -4.15 0.04 0.08 2.60 -5.35 -0.41 -2.43 119.36 109.74 2wc0 n ILE 440 Ca -0.04 -0.03 0.19 0.00 -0.27 0.00 0.00 62.75 62.59 2wc0 n ILE 440 Cb 0.55 -0.14 0.72 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.49 0.14 115.31 125.62 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 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 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 -4.18 0.00 0.00 1.13 8.25 -1.02 -3.91 115.22 115.48 2wc0 n HIS 442 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2wc0 n HIS 442 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.91 0.00 -4.32 4.41 4.02 0.47 -5.09 117.16 115.73 2wc0 n TYR 443 Ca 0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 2wc0 n TYR 443 Cb 0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.21 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 -0.53 1.16 0.55 -0.72 2.02 -1.14 -5.08 117.35 113.60 2wc0 s TYR 444 Ca 0.00 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 2wc0 s TYR 444 Cb 0.00 -0.69 -0.11 0.00 -0.40 0.00 0.00 41.96 40.77 2wc0 s TYR 444 CO 0.00 0.03 0.29 -2.30 -1.57 0.00 0.00 175.55 171.99 2wc0 n PRO 445 N 1.89 0.32 -0.14 -1.71 -0.02 -1.26 -4.77 135.00 129.32 2wc0 n PRO 445 Ca -0.18 0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.39 2wc0 n PRO 445 Cb 0.55 -1.46 0.03 0.00 -0.02 0.00 0.00 33.50 32.60 2wc0 n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wc0 h LEU 446 N 0.12 -0.35 -2.70 2.45 4.07 -1.99 -2.15 115.31 114.77 2wc0 h LEU 446 Ca -0.44 0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2wc0 h LEU 446 Cb 1.41 0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.40 2wc0 h LEU 446 CO 0.45 -0.12 0.00 -0.33 -1.08 0.00 0.00 178.44 177.36 2wc0 h GLU 447 N 0.03 0.00 -0.01 1.13 3.07 -1.85 -2.35 114.58 114.59 2wc0 h GLU 447 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2wc0 h GLU 447 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2wc0 h GLU 447 CO -0.43 0.00 -0.21 0.39 -1.40 0.00 0.00 179.01 177.36 2wc0 n GLU 448 N -3.01 1.62 0.24 2.33 1.02 -0.83 -2.22 120.64 119.79 2wc0 n GLU 448 Ca -0.02 -0.89 0.12 0.00 -0.02 0.00 0.00 57.16 56.35 2wc0 n GLU 448 Cb 0.10 -1.22 0.74 0.00 -0.02 0.00 0.00 31.44 31.04 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 1.86 0.78 0.04 2.62 -1.51 -1.21 0.45 116.25 119.29 2wc0 h VAL 449 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.24 2wc0 h VAL 449 Cb 0.50 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 2wc0 h VAL 449 CO 0.00 0.00 -1.08 -0.07 -1.23 0.00 0.00 177.57 175.19 2wc0 h LEU 450 N 0.00 0.14 0.00 4.19 4.07 -1.82 -3.37 115.31 118.52 2wc0 h LEU 450 Ca 0.04 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 2wc0 h LEU 450 Cb 0.16 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2wc0 h LEU 450 CO -0.00 1.11 -1.68 0.35 -1.08 0.00 0.00 178.44 177.14 2wc0 n THR 451 N -3.41 0.19 -0.34 0.22 -2.24 -0.63 -4.66 114.28 103.40 2wc0 n THR 451 Ca -0.03 -0.36 0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2wc0 n THR 451 Cb 0.97 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 69.43 2wc0 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc0 n ALA 452 N -2.08 0.41 1.78 6.98 0.00 0.15 0.59 120.51 128.33 2wc0 n ALA 452 Ca -0.06 1.05 0.15 0.00 0.00 0.00 0.00 53.44 54.58 2wc0 n ALA 452 Cb 0.48 -0.72 0.82 0.00 0.00 0.00 0.00 19.45 20.03 2wc0 n ALA 452 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wc0 n GLU 453 N -5.50 0.97 -0.07 0.00 1.02 -1.26 -4.25 120.64 111.55 2wc0 n GLU 453 Ca 0.20 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 2wc0 n GLU 453 Cb 0.66 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 2wc0 n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wc0 n TYR 454 N -0.87 0.00 -2.79 -0.32 4.01 0.20 -5.02 117.16 112.37 2wc0 n TYR 454 Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.53 2wc0 n TYR 454 Cb 0.18 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.67 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 -6.63 4.18 0.22 7.72 1.43 -0.61 -4.59 118.68 120.40 2wc0 s LEU 455 Ca -0.20 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 2wc0 s LEU 455 Cb 0.07 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 2wc0 s LEU 455 CO 0.26 -0.46 0.32 -0.76 0.23 0.00 0.00 176.35 175.93 2wc0 s LEU 456 N 2.30 4.24 0.21 1.79 1.43 -1.26 -4.86 118.68 122.53 2wc0 s LEU 456 Ca 0.42 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2wc0 s LEU 456 Cb -0.17 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2wc0 s LEU 456 CO 0.13 -0.04 0.00 -0.62 0.23 0.00 0.00 176.35 176.05 2wc0 n GLU 457 N -1.19 0.00 -4.43 1.70 1.02 -0.09 -5.00 120.64 112.64 2wc0 n GLU 457 Ca -0.08 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.72 2wc0 n GLU 457 Cb 0.56 -0.13 -0.12 0.00 -0.02 0.00 0.00 31.44 31.73 2wc0 n GLU 457 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2wc0 s GLU 458 N -1.87 3.47 -0.14 3.49 -1.05 -0.81 -5.03 118.70 116.76 2wc0 s GLU 458 Ca 0.00 -0.51 -0.17 0.00 -0.15 0.00 0.00 54.97 54.14 2wc0 s GLU 458 Cb 0.00 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 2wc0 s GLU 458 CO 0.00 0.35 0.42 0.12 0.95 0.00 0.00 175.26 177.10 2wc0 s PHE 459 N 0.07 3.48 -0.43 4.83 5.36 -1.26 -4.13 117.98 125.90 2wc0 s PHE 459 Ca -0.00 0.77 0.10 0.00 -0.96 0.00 0.00 56.93 56.84 2wc0 s PHE 459 Cb -0.13 -2.49 0.32 0.00 -0.34 0.00 0.00 43.02 40.37 2wc0 s PHE 459 CO 0.03 0.16 0.72 0.54 -1.46 0.00 0.00 175.22 175.21 2wc0 n ARG 460 N 3.76 1.38 -0.39 10.12 5.12 -1.26 -4.90 116.66 130.49 2wc0 n ARG 460 Ca -0.08 -3.67 0.33 0.00 -1.93 0.00 0.00 57.85 52.50 2wc0 n ARG 460 Cb 0.52 -1.72 0.65 0.00 -1.16 0.00 0.00 32.46 30.74 2wc0 n ARG 460 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2wc0 h PRO 461 N 3.29 0.16 -0.41 5.56 0.13 -1.98 0.23 132.00 138.97 2wc0 h PRO 461 Ca 0.10 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2wc0 h PRO 461 Cb 0.86 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 2wc0 h PRO 461 CO 0.56 0.10 0.25 0.38 -0.23 0.00 0.00 178.00 179.06 2wc0 h ASP 462 N 0.16 0.40 -0.05 1.44 -0.00 -1.99 -1.10 116.42 115.29 2wc0 h ASP 462 Ca 0.67 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 57.48 2wc0 h ASP 462 Cb 2.20 -0.08 0.01 0.00 -0.00 0.00 0.00 39.33 41.46 2wc0 h ASP 462 CO -0.21 0.29 -0.81 -0.07 -0.00 0.00 0.00 179.24 178.43 2wc0 h LEU 463 N 0.50 0.86 -0.21 0.15 3.38 -1.39 0.64 115.31 119.25 2wc0 h LEU 463 Ca 0.16 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2wc0 h LEU 463 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2wc0 h LEU 463 CO -0.07 1.37 0.09 0.40 0.09 0.00 0.00 178.44 180.32 2wc0 h ILE 464 N 0.47 0.98 -0.79 1.22 2.04 -1.29 -0.19 117.51 119.95 2wc0 h ILE 464 Ca -0.06 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2wc0 h ILE 464 Cb 1.44 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2wc0 h ILE 464 CO 0.16 0.04 0.48 -0.08 0.00 0.00 0.00 178.15 178.75 2wc0 h GLU 465 N 0.20 1.07 -0.43 2.37 4.81 -1.09 -1.43 114.58 120.08 2wc0 h GLU 465 Ca 0.09 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wc0 h GLU 465 Cb 0.03 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2wc0 h GLU 465 CO -0.07 0.75 0.26 1.98 -0.73 0.00 0.00 179.01 181.21 2wc0 h MET 466 N 1.08 0.59 -0.01 1.92 4.05 0.01 -1.03 114.93 121.54 2wc0 h MET 466 Ca 0.28 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2wc0 h MET 466 Cb -0.04 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.63 2wc0 h MET 466 CO -0.05 0.43 -0.00 0.28 0.23 0.00 0.00 176.91 177.80 2wc0 h VAL 467 N 0.57 1.27 -1.19 -5.77 2.07 -1.00 -2.40 116.25 109.80 2wc0 h VAL 467 Ca 0.16 -0.81 0.35 0.00 0.82 0.00 0.00 66.70 67.21 2wc0 h VAL 467 Cb -0.01 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 2wc0 h VAL 467 CO -0.03 0.21 0.79 0.25 0.02 0.00 0.00 177.57 178.81 2wc0 h LEU 468 N -0.33 0.28 0.00 2.57 5.85 -1.18 0.74 115.31 123.24 2wc0 h LEU 468 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wc0 h LEU 468 Cb 0.34 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2wc0 h LEU 468 CO 0.00 -0.02 0.00 -0.67 -0.34 0.00 0.00 178.44 177.41 2wc0 n ASP 469 N -4.53 0.00 -0.00 1.25 2.03 -0.40 -2.55 116.55 112.35 2wc0 n ASP 469 Ca 0.30 -0.93 0.04 0.00 0.52 0.00 0.00 54.79 54.71 2wc0 n ASP 469 Cb 1.17 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.52 2wc0 n ASP 469 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wc0 n LYS 470 N -0.75 3.36 -2.66 -0.67 4.76 0.25 -4.70 118.16 117.76 2wc0 n LYS 470 Ca 0.07 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 2wc0 n LYS 470 Cb 0.03 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2wc0 n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wc0 n LEU 471 N -1.33 5.83 -4.09 -0.35 4.77 -1.06 -4.75 117.00 116.01 2wc0 n LEU 471 Ca 0.01 -4.51 -0.15 0.00 -0.03 0.00 0.00 56.01 51.33 2wc0 n LEU 471 Cb 0.15 -1.57 -0.12 0.00 -2.33 0.00 0.00 43.42 39.55 2wc0 n LEU 471 CO 0.17 0.98 -0.42 -0.13 -1.33 0.00 0.00 177.39 176.65 2wc0 s ARG 472 N 1.21 0.62 0.53 3.23 0.52 -1.26 -5.02 118.95 118.80 2wc0 s ARG 472 Ca 0.42 -0.80 0.19 0.00 -0.52 0.00 0.00 55.73 55.02 2wc0 s ARG 472 Cb 0.03 -0.48 1.37 0.00 0.52 0.00 0.00 34.95 36.40 2wc0 s ARG 472 CO 0.00 0.10 2.15 -1.35 0.02 0.00 0.00 175.30 176.23 2wc0 h PRO 473 N 4.50 0.00 0.00 3.54 0.11 -1.90 -0.47 132.00 137.77 2wc0 h PRO 473 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wc0 h PRO 473 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wc0 h PRO 473 CO 0.41 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.25 2wc0 h GLU 474 N 0.00 0.00 -1.80 1.05 9.09 -1.95 -2.58 114.58 118.39 2wc0 h GLU 474 Ca 0.02 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.91 2wc0 h GLU 474 Cb 0.09 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 26.77 2wc0 h GLU 474 CO -0.00 0.00 -0.90 0.27 0.05 0.00 0.00 179.01 178.43 2wc0 n ASN 475 N -2.47 3.08 -4.90 3.06 6.94 -0.19 -4.55 115.26 116.23 2wc0 n ASN 475 Ca 0.01 -3.35 -0.31 0.00 -0.02 0.00 0.00 54.58 50.91 2wc0 n ASN 475 Cb 0.20 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.03 2wc0 n ASN 475 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wc0 s VAL 476 N -3.98 5.27 -0.06 3.53 0.11 -0.97 -4.30 120.40 120.00 2wc0 s VAL 476 Ca 0.42 -0.41 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2wc0 s VAL 476 Cb 0.36 -3.55 -0.01 0.00 -1.53 0.00 0.00 36.38 31.65 2wc0 s VAL 476 CO -0.10 0.17 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.48 2wc0 s ARG 477 N -2.40 2.63 -0.05 1.54 0.52 0.16 -0.12 118.95 121.22 2wc0 s ARG 477 Ca 0.33 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2wc0 s ARG 477 Cb -0.13 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2wc0 s ARG 477 CO 0.26 0.40 -0.15 0.08 0.02 0.00 0.00 175.30 175.91 2wc0 s VAL 478 N -0.19 1.27 -0.04 3.52 1.01 -0.31 -1.46 120.40 124.21 2wc0 s VAL 478 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2wc0 s VAL 478 Cb -0.14 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.14 2wc0 s VAL 478 CO 0.03 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 2wc0 s ALA 479 N 0.35 0.59 -0.15 5.51 0.00 -0.19 -0.90 121.76 126.98 2wc0 s ALA 479 Ca -0.10 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.85 2wc0 s ALA 479 Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2wc0 s ALA 479 CO 0.03 0.00 -0.20 0.42 0.00 0.00 0.00 175.76 176.02 2wc0 s ILE 480 N 0.79 2.28 -0.28 0.00 1.01 -0.73 0.64 121.20 124.92 2wc0 s ILE 480 Ca -0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 2wc0 s ILE 480 Cb -0.13 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2wc0 s ILE 480 CO -0.00 0.54 0.07 -0.69 0.00 0.00 0.00 174.94 174.85 2wc0 s VAL 481 N 0.81 3.98 -0.17 2.92 1.01 0.35 -0.82 120.40 128.48 2wc0 s VAL 481 Ca -0.06 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2wc0 s VAL 481 Cb -0.15 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.29 2wc0 s VAL 481 CO -0.01 0.16 0.64 -0.55 0.00 0.00 0.00 175.10 175.33 2wc0 s SER 482 N 1.52 -0.64 0.44 3.32 0.15 -0.50 -1.63 113.70 116.36 2wc0 s SER 482 Ca 0.04 1.06 0.17 0.00 0.70 0.00 0.00 55.95 57.91 2wc0 s SER 482 Cb -0.16 1.04 1.02 0.00 -1.71 0.00 0.00 66.02 66.20 2wc0 s SER 482 CO 0.02 -0.35 1.96 0.11 1.20 0.00 0.00 173.24 176.19 2wc0 h LYS 483 N 4.43 0.00 0.00 5.44 1.79 -1.84 -2.70 116.57 123.69 2wc0 h LYS 483 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2wc0 h LYS 483 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2wc0 h LYS 483 CO 0.20 0.22 0.41 0.66 -1.08 0.00 0.00 179.45 179.86 2wc0 h SER 484 N 0.00 0.00 0.34 0.86 4.64 -1.95 0.16 113.55 117.60 2wc0 h SER 484 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wc0 h SER 484 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wc0 h SER 484 CO 0.03 0.00 -0.10 0.49 -0.87 0.00 0.00 176.83 176.38 2wc0 n PHE 485 N -2.81 0.00 -1.65 4.77 0.99 -1.02 -4.82 117.46 112.93 2wc0 n PHE 485 Ca -0.02 0.00 -0.56 0.00 -0.00 0.00 0.00 57.45 56.87 2wc0 n PHE 485 Cb 0.45 -0.17 -0.07 0.00 -1.00 0.00 0.00 39.48 38.68 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 -0.94 0.97 0.00 -1.08 4.07 0.54 -2.14 120.64 122.06 2wc0 n GLU 486 Ca 0.15 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.60 2wc0 n GLU 486 Cb 0.27 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 29.66 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 3.29 2.39 0.00 8.31 0.00 -1.26 -4.85 105.19 113.06 2wc0 n GLY 487 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.00 -3.54 1.61 5.02 -0.91 -4.87 118.16 115.47 2wc0 n LYS 488 Ca 0.00 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.18 2wc0 n LYS 488 Cb 0.00 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.01 2.44 0.00 -0.18 -4.23 -1.23 -4.90 115.64 105.52 2wc0 s THR 489 Ca 0.00 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2wc0 s THR 489 Cb 0.00 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2wc0 s THR 489 CO 0.00 0.00 0.81 -0.90 -0.54 0.00 0.00 174.62 173.99 2wc0 n ASP 490 N -1.68 0.01 -4.21 3.99 5.68 -0.95 -4.94 116.55 114.44 2wc0 n ASP 490 Ca 0.04 -1.60 -0.13 0.00 -0.50 0.00 0.00 54.79 52.60 2wc0 n ASP 490 Cb 0.62 -0.11 -0.10 0.00 -1.14 0.00 0.00 41.12 40.39 2wc0 n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wc0 s ARG 491 N 0.00 0.95 -0.04 0.11 3.00 0.68 -4.99 118.95 118.66 2wc0 s ARG 491 Ca 0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 55.73 54.35 2wc0 s ARG 491 Cb 0.01 -0.45 0.03 0.00 0.00 0.00 0.00 34.95 34.54 2wc0 s ARG 491 CO -0.01 0.04 0.07 0.99 0.00 0.00 0.00 175.30 176.39 2wc0 s THR 492 N -3.34 -0.11 0.10 0.02 2.01 -1.26 -1.51 115.64 111.55 2wc0 s THR 492 Ca 0.14 0.38 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 2wc0 s THR 492 Cb 0.03 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.31 2wc0 s THR 492 CO -0.02 0.16 1.40 -0.70 -0.69 0.00 0.00 174.62 174.78 2wc0 s GLU 493 N 1.94 4.31 0.16 4.92 -6.30 -0.32 -4.93 118.70 118.48 2wc0 s GLU 493 Ca 0.02 2.08 -0.16 0.00 -2.50 0.00 0.00 54.97 54.40 2wc0 s GLU 493 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 34.13 30.74 2wc0 s GLU 493 CO -0.03 -0.47 1.81 1.49 0.02 0.00 0.00 175.26 178.08 2wc0 h GLU 494 N 6.98 0.51 0.00 4.30 4.81 -1.94 0.53 114.58 129.77 2wc0 h GLU 494 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2wc0 h GLU 494 Cb 1.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2wc0 h GLU 494 CO 0.87 0.34 -0.13 -1.49 -0.73 0.00 0.00 179.01 177.87 2wc0 h TRP 495 N 0.52 0.00 0.00 0.92 4.06 -1.99 -3.38 115.95 116.08 2wc0 h TRP 495 Ca 0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.10 2wc0 h TRP 495 Cb -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 2wc0 h TRP 495 CO -0.06 0.00 -0.32 0.66 -3.56 0.00 0.00 178.44 175.17 2wc0 n TYR 496 N -2.37 0.00 -0.13 0.49 4.02 -1.11 -5.01 117.16 113.05 2wc0 n TYR 496 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2wc0 n TYR 496 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.96 0.63 3.65 2.72 0.00 0.18 -4.92 105.19 108.41 2wc0 n GLY 497 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2wc0 n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wc0 n THR 498 N -2.02 0.15 -2.90 2.61 -1.04 -1.23 -4.51 114.28 105.34 2wc0 n THR 498 Ca 0.00 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.57 2wc0 n THR 498 Cb 0.00 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 2wc0 n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2wc0 s GLN 499 N 1.79 4.38 0.32 -2.82 -1.52 -1.26 -1.18 119.66 119.36 2wc0 s GLN 499 Ca 0.88 1.06 -0.13 0.00 -1.95 0.00 0.00 55.36 55.21 2wc0 s GLN 499 Cb -0.90 -3.52 0.02 0.00 -0.22 0.00 0.00 33.01 28.39 2wc0 s GLN 499 CO 0.51 -0.18 0.62 1.52 -0.25 0.00 0.00 175.29 177.51 2wc0 s TYR 500 N 1.62 0.31 0.04 0.91 1.13 -0.57 -1.85 117.35 118.95 2wc0 s TYR 500 Ca 0.41 -0.77 0.06 0.00 -1.41 0.00 0.00 57.07 55.35 2wc0 s TYR 500 Cb -0.18 0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 41.11 2wc0 s TYR 500 CO 0.16 -1.25 -0.16 0.21 -2.51 0.00 0.00 175.55 172.00 2wc0 s LYS 501 N -3.27 1.09 -0.07 -3.49 2.20 -0.14 -0.23 119.74 115.82 2wc0 s LYS 501 Ca 0.20 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 2wc0 s LYS 501 Cb -0.03 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 2wc0 s LYS 501 CO 0.12 0.29 -0.19 -1.14 -0.36 0.00 0.00 175.35 174.06 2wc0 s GLN 502 N -1.08 2.34 0.10 4.03 0.74 -1.26 -0.87 119.66 123.66 2wc0 s GLN 502 Ca 0.04 -0.70 0.07 0.00 0.05 0.00 0.00 55.36 54.82 2wc0 s GLN 502 Cb -0.08 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 32.12 2wc0 s GLN 502 CO 0.01 0.18 -0.18 -1.21 -0.55 0.00 0.00 175.29 173.54 2wc0 s GLU 503 N 0.30 1.01 0.11 1.67 2.02 -0.48 -4.97 118.70 118.37 2wc0 s GLU 503 Ca -0.13 -1.11 -0.31 0.00 0.02 0.00 0.00 54.97 53.44 2wc0 s GLU 503 Cb -0.15 -1.14 -0.08 0.00 0.10 0.00 0.00 34.13 32.85 2wc0 s GLU 503 CO 0.05 0.26 1.49 0.00 0.02 0.00 0.00 175.26 177.08 2wc0 s ALA 504 N -1.34 3.66 0.05 5.21 0.00 -1.26 -0.02 121.76 128.06 2wc0 s ALA 504 Ca 0.04 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 2wc0 s ALA 504 Cb -0.09 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 2wc0 s ALA 504 CO 0.04 -0.78 1.90 0.42 0.00 0.00 0.00 175.76 177.34 2wc0 s ILE 505 N 1.51 2.96 0.03 0.00 1.01 -0.19 -4.83 121.20 121.70 2wc0 s ILE 505 Ca 0.68 0.11 -0.36 0.00 0.00 0.00 0.00 60.65 61.07 2wc0 s ILE 505 Cb -0.39 -3.07 -0.15 0.00 0.01 0.00 0.00 42.46 38.86 2wc0 s ILE 505 CO 0.30 -0.01 1.50 -0.81 0.00 0.00 0.00 174.94 175.93 2wc0 n PRO 506 N 7.03 1.47 -0.33 2.79 -0.04 -1.26 -4.80 135.00 139.85 2wc0 n PRO 506 Ca 0.19 0.53 0.24 0.00 -0.04 0.00 0.00 63.50 64.43 2wc0 n PRO 506 Cb 0.41 -2.23 0.53 0.00 -0.04 0.00 0.00 33.50 32.17 2wc0 n PRO 506 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wc0 h ASP 507 N 5.66 0.42 -0.47 3.54 5.19 -2.00 0.36 116.42 129.12 2wc0 h ASP 507 Ca -0.47 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2wc0 h ASP 507 Cb 1.31 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 2wc0 h ASP 507 CO 0.85 0.05 0.29 -0.08 -3.12 0.00 0.00 179.24 177.23 2wc0 h GLU 508 N 0.35 0.65 -0.04 3.56 4.81 -2.00 -0.79 114.58 121.12 2wc0 h GLU 508 Ca 0.62 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.78 2wc0 h GLU 508 Cb 1.63 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 2wc0 h GLU 508 CO -0.31 0.45 -0.05 0.28 -0.73 0.00 0.00 179.01 178.65 2wc0 h VAL 509 N 0.66 1.40 -0.72 0.32 2.07 -0.63 -1.98 116.25 117.38 2wc0 h VAL 509 Ca 0.17 -1.29 0.15 0.00 0.82 0.00 0.00 66.70 66.56 2wc0 h VAL 509 Cb -0.03 2.18 -0.11 0.00 -1.52 0.00 0.00 31.29 31.81 2wc0 h VAL 509 CO -0.03 0.35 0.17 0.40 0.02 0.00 0.00 177.57 178.47 2wc0 h ILE 510 N -0.38 0.53 -0.41 4.57 5.03 -1.31 -1.98 117.51 123.55 2wc0 h ILE 510 Ca 0.00 -0.09 0.02 0.00 -0.12 0.00 0.00 64.86 64.68 2wc0 h ILE 510 Cb 0.59 0.24 -0.03 0.00 -3.03 0.00 0.00 36.82 34.59 2wc0 h ILE 510 CO 0.01 0.05 0.23 0.11 -0.68 0.00 0.00 178.15 177.87 2wc0 h LYS 511 N 0.27 0.45 -0.01 2.37 6.56 -1.08 0.23 116.57 125.35 2wc0 h LYS 511 Ca 0.40 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.92 2wc0 h LYS 511 Cb 0.68 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.23 2wc0 h LYS 511 CO -0.50 0.30 -0.22 -0.22 -2.06 0.00 0.00 179.45 176.75 2wc0 h LYS 512 N 0.46 0.01 0.11 3.15 3.11 -0.65 -0.02 116.57 122.75 2wc0 h LYS 512 Ca 0.17 -0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.81 2wc0 h LYS 512 Cb 0.04 -0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.29 2wc0 h LYS 512 CO -0.10 0.24 -0.84 -1.49 -2.81 0.00 0.00 179.45 174.45 2wc0 h TRP 513 N 0.01 0.64 -0.45 1.91 6.55 -0.83 -2.93 115.95 120.85 2wc0 h TRP 513 Ca 0.00 -0.43 0.13 0.00 0.95 0.00 0.00 58.89 59.54 2wc0 h TRP 513 Cb 0.40 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.64 2wc0 h TRP 513 CO 0.00 1.30 0.43 1.96 -1.05 0.00 0.00 178.44 181.08 2wc0 h GLN 514 N -0.20 0.00 -1.00 0.49 4.20 0.49 -2.56 115.11 116.52 2wc0 h GLN 514 Ca -0.14 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.99 2wc0 h GLN 514 Cb 1.62 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 29.10 2wc0 h GLN 514 CO 0.16 0.00 0.74 0.09 -0.67 0.00 0.00 178.83 179.15 2wc0 n ASN 515 N -3.85 5.28 -4.70 1.46 5.03 -0.12 -4.98 115.26 113.38 2wc0 n ASN 515 Ca 0.08 -3.67 -0.42 0.00 0.87 0.00 0.00 54.58 51.44 2wc0 n ASN 515 Cb 0.62 -0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 38.46 2wc0 n ASN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wc0 s ALA 516 N -3.49 3.27 0.53 5.41 0.00 -0.97 -5.02 121.76 121.49 2wc0 s ALA 516 Ca 0.60 0.50 0.05 0.00 0.00 0.00 0.00 51.96 53.10 2wc0 s ALA 516 Cb 0.49 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2wc0 s ALA 516 CO 0.06 -0.40 0.39 -3.47 0.00 0.00 0.00 175.76 172.34 2wc0 n ASP 517 N 4.36 2.69 -4.77 0.00 -0.08 -1.26 -4.82 116.55 112.68 2wc0 n ASP 517 Ca 0.07 -2.82 -0.40 0.00 -1.51 0.00 0.00 54.79 50.14 2wc0 n ASP 517 Cb 0.50 -0.03 -0.00 0.00 2.34 0.00 0.00 41.12 43.92 2wc0 n ASP 517 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wc0 s LEU 518 N 0.00 4.20 -0.17 -2.67 1.43 -1.26 -4.75 118.68 115.46 2wc0 s LEU 518 Ca 0.29 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 56.10 2wc0 s LEU 518 Cb -0.02 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.33 2wc0 s LEU 518 CO 0.19 -0.90 -0.12 0.21 0.23 0.00 0.00 176.35 175.96 2wc0 s ASN 519 N -0.68 3.03 0.00 2.29 3.84 -1.26 -5.02 114.94 117.14 2wc0 s ASN 519 Ca 0.57 -0.68 0.12 0.00 0.21 0.00 0.00 52.86 53.08 2wc0 s ASN 519 Cb -0.39 -1.20 0.74 0.00 -0.55 0.00 0.00 41.25 39.85 2wc0 s ASN 519 CO 0.50 -0.10 1.17 0.61 -2.79 0.00 0.00 177.10 176.49 2wc0 n GLY 520 N 4.73 -0.49 0.00 1.21 0.00 -1.26 -1.28 105.19 108.10 2wc0 n GLY 520 Ca -0.16 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.90 0.04 -3.68 1.61 4.76 -1.26 -4.78 118.16 113.94 2wc0 n LYS 521 Ca 0.09 0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 2wc0 n LYS 521 Cb 0.04 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.61 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 -2.96 3.18 -0.04 2.13 2.99 -0.41 -4.55 117.98 118.33 2wc0 s PHE 522 Ca 0.14 -0.79 0.03 0.00 0.00 0.00 0.00 56.93 56.30 2wc0 s PHE 522 Cb 0.17 -2.33 0.00 0.00 0.00 0.00 0.00 43.02 40.86 2wc0 s PHE 522 CO 0.46 -0.53 -0.12 0.15 -0.00 0.00 0.00 175.22 175.18 2wc0 s LYS 523 N 1.56 1.39 0.90 0.44 1.02 -0.78 -4.94 119.74 119.33 2wc0 s LYS 523 Ca 0.03 -0.43 -0.13 0.00 0.02 0.00 0.00 55.97 55.46 2wc0 s LYS 523 Cb -0.17 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 35.93 2wc0 s LYS 523 CO 0.05 0.14 0.48 1.28 -0.92 0.00 0.00 175.35 176.38 2wc0 n LEU 524 N 3.35 0.26 -4.86 3.17 4.32 -1.26 -4.31 117.00 117.67 2wc0 n LEU 524 Ca -0.19 0.39 -0.30 0.00 -0.02 0.00 0.00 56.01 55.89 2wc0 n LEU 524 Cb 0.53 -1.23 0.19 0.00 -1.62 0.00 0.00 43.42 41.29 2wc0 n LEU 524 CO 0.25 -3.42 0.81 -2.16 -1.22 0.00 0.00 177.39 171.65 2wc0 s PRO 525 N -3.51 0.37 0.52 3.23 0.04 -1.26 -4.93 135.00 129.45 2wc0 s PRO 525 Ca 0.59 -0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.40 2wc0 s PRO 525 Cb -0.24 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2wc0 s PRO 525 CO 0.65 -2.62 0.29 0.95 0.04 0.00 0.00 177.00 176.31 2wc0 s THR 526 N -3.67 1.64 0.17 1.26 -4.23 -1.26 -5.03 115.64 104.51 2wc0 s THR 526 Ca 0.72 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 2wc0 s THR 526 Cb -0.06 -2.26 -0.17 0.00 1.34 0.00 0.00 72.50 71.35 2wc0 s THR 526 CO 0.53 0.00 0.75 1.17 -0.54 0.00 0.00 174.62 176.53 2wc0 n LYS 527 N -1.59 0.26 -3.13 3.99 3.00 -1.26 -4.82 118.16 114.61 2wc0 n LYS 527 Ca -0.05 0.09 -0.45 0.00 -0.00 0.00 0.00 58.31 57.90 2wc0 n LYS 527 Cb 0.65 -1.28 -0.04 0.00 0.00 0.00 0.00 35.03 34.36 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 -0.65 6.30 0.46 3.14 3.84 -1.26 -4.93 114.94 121.84 2wc0 s ASN 528 Ca 0.70 -1.66 0.32 0.00 0.21 0.00 0.00 52.86 52.42 2wc0 s ASN 528 Cb -0.97 -2.30 1.60 0.00 -0.55 0.00 0.00 41.25 39.03 2wc0 s ASN 528 CO 0.56 -1.04 1.96 -0.33 -2.79 0.00 0.00 177.10 175.47 2wc0 h GLU 529 N 8.98 0.00 0.00 0.43 4.39 -1.96 -2.61 114.58 123.80 2wc0 h GLU 529 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2wc0 h GLU 529 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2wc0 h GLU 529 CO 1.06 0.00 -0.05 1.19 -1.16 0.00 0.00 179.01 180.05 2wc0 n PHE 530 N -2.66 0.10 -1.68 4.33 3.01 -1.26 -4.89 117.46 114.41 2wc0 n PHE 530 Ca -0.01 0.03 -0.52 0.00 1.01 0.00 0.00 57.45 57.96 2wc0 n PHE 530 Cb 0.12 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.01 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 -1.58 0.45 -2.49 4.37 5.41 -0.99 -4.85 119.36 119.68 2wc0 n ILE 531 Ca 0.07 -0.10 -0.36 0.00 1.00 0.00 0.00 62.75 63.36 2wc0 n ILE 531 Cb 0.35 -1.62 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 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 4.07 3.95 0.00 0.38 0.04 -1.26 -4.95 135.00 137.24 2wc0 s PRO 532 Ca 0.96 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2wc0 s PRO 532 Cb -0.85 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2wc0 s PRO 532 CO 0.57 -0.32 0.04 0.25 0.04 0.00 0.00 177.00 177.58 2wc0 n THR 533 N -0.48 0.00 -3.67 1.26 -2.24 -1.26 -5.00 114.28 102.89 2wc0 n THR 533 Ca 0.07 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 2wc0 n THR 533 Cb 0.50 1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.17 5.49 -0.06 3.42 2.47 -1.26 -4.92 114.94 119.91 2wc0 s ASN 534 Ca 0.00 -0.74 0.11 0.00 0.42 0.00 0.00 52.86 52.65 2wc0 s ASN 534 Cb 0.00 -1.97 0.28 0.00 -1.45 0.00 0.00 41.25 38.11 2wc0 s ASN 534 CO 0.00 -0.26 1.22 0.49 -3.72 0.00 0.00 177.10 174.83 2wc0 n PHE 535 N 4.95 0.41 -2.12 0.43 3.01 -1.26 -4.48 117.46 118.39 2wc0 n PHE 535 Ca -0.13 -0.66 -0.41 0.00 1.01 0.00 0.00 57.45 57.26 2wc0 n PHE 535 Cb 0.48 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.80 2wc0 n PHE 535 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2wc0 s GLU 536 N -1.69 4.34 -0.55 -1.08 2.12 -1.26 -4.63 118.70 115.95 2wc0 s GLU 536 Ca 0.23 2.19 -0.18 0.00 0.36 0.00 0.00 54.97 57.57 2wc0 s GLU 536 Cb 0.17 -3.12 0.09 0.00 0.26 0.00 0.00 34.13 31.53 2wc0 s GLU 536 CO 0.09 -0.27 0.62 0.42 -0.54 0.00 0.00 175.26 175.58 2wc0 s ILE 537 N -0.43 4.93 0.25 -3.70 -1.09 -1.26 -4.89 121.20 115.02 2wc0 s ILE 537 Ca 0.54 -0.94 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 2wc0 s ILE 537 Cb -0.39 -4.38 -0.15 0.00 -1.58 0.00 0.00 42.46 35.96 2wc0 s ILE 537 CO 0.45 -0.94 0.86 0.18 -1.23 0.00 0.00 174.94 174.26 2wc0 n LEU 538 N 6.01 0.76 -4.74 2.97 4.32 -1.26 -4.91 117.00 120.16 2wc0 n LEU 538 Ca -0.10 1.16 -0.35 0.00 -0.02 0.00 0.00 56.01 56.71 2wc0 n LEU 538 Cb 0.43 -1.17 0.07 0.00 -1.62 0.00 0.00 43.42 41.13 2wc0 n LEU 538 CO 0.55 -1.91 0.80 -2.16 -1.22 0.00 0.00 177.39 173.45 2wc0 s PRO 539 N -1.26 2.50 -0.06 3.23 0.04 -1.26 -4.90 135.00 133.28 2wc0 s PRO 539 Ca 0.62 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2wc0 s PRO 539 Cb -0.79 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 2wc0 s PRO 539 CO 0.58 -1.55 1.61 -1.17 0.04 0.00 0.00 177.00 176.51 2wc0 s LEU 540 N -4.78 4.31 0.66 -3.56 2.96 -1.26 -4.98 118.68 112.03 2wc0 s LEU 540 Ca 0.74 2.19 -0.17 0.00 -0.22 0.00 0.00 54.13 56.67 2wc0 s LEU 540 Cb -0.28 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 2wc0 s LEU 540 CO 0.41 -0.90 0.98 -0.62 -1.32 0.00 0.00 176.35 174.90 2wc0 n GLU 541 N 6.99 0.73 -0.19 1.98 1.02 -1.26 -4.96 120.64 124.96 2wc0 n GLU 541 Ca 0.17 0.30 -0.08 0.00 -0.02 0.00 0.00 57.16 57.53 2wc0 n GLU 541 Cb 0.43 -2.21 0.02 0.00 -0.02 0.00 0.00 31.44 29.66 2wc0 n GLU 541 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2wc0 h LYS 542 N 0.15 0.79 -0.01 3.49 5.09 -2.06 -3.08 116.57 120.95 2wc0 h LYS 542 Ca -0.48 -0.13 0.00 0.00 0.09 0.00 0.00 60.65 60.13 2wc0 h LYS 542 Cb 1.35 -0.13 0.00 0.00 0.10 0.00 0.00 32.23 33.55 2wc0 h LYS 542 CO 0.49 0.67 0.00 -0.85 -2.09 0.00 0.00 179.45 177.68 2wc0 n GLU 543 N -4.54 1.15 -1.55 0.07 0.28 -1.26 -4.94 120.64 109.84 2wc0 n GLU 543 Ca 0.03 -0.22 -0.41 0.00 -0.16 0.00 0.00 57.16 56.39 2wc0 n GLU 543 Cb 0.14 -1.48 0.01 0.00 1.43 0.00 0.00 31.44 31.54 2wc0 n GLU 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wc0 n ALA 544 N -0.72 -0.48 -2.48 -1.84 0.00 -1.17 -5.02 120.51 108.80 2wc0 n ALA 544 Ca 0.22 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 2wc0 n ALA 544 Cb 0.16 -1.96 -0.11 0.00 0.00 0.00 0.00 19.45 17.54 2wc0 n ALA 544 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wc0 s THR 545 N -1.35 1.32 0.03 0.00 -4.23 -1.26 -5.03 115.64 105.12 2wc0 s THR 545 Ca 0.64 -1.73 0.18 0.00 -1.18 0.00 0.00 61.69 59.60 2wc0 s THR 545 Cb -0.57 -1.54 0.12 0.00 1.34 0.00 0.00 72.50 71.85 2wc0 s THR 545 CO 0.57 -0.43 1.63 1.55 -0.54 0.00 0.00 174.62 177.40 2wc0 h PRO 546 N 3.48 0.00 -6.14 3.99 0.13 -1.96 -3.45 132.00 128.05 2wc0 h PRO 546 Ca -0.40 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.21 2wc0 h PRO 546 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2wc0 h PRO 546 CO 0.51 0.40 -0.51 0.71 -0.23 0.00 0.00 178.00 178.88 2wc0 s TYR 547 N -3.35 2.80 0.52 1.56 2.02 -1.26 -5.07 117.35 114.57 2wc0 s TYR 547 Ca 0.02 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.16 2wc0 s TYR 547 Cb 0.09 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2wc0 s TYR 547 CO 0.70 0.30 1.34 -2.30 -1.57 0.00 0.00 175.55 174.02 2wc0 n PRO 548 N -1.23 1.78 -4.81 -1.71 -0.02 -1.26 -4.83 135.00 122.92 2wc0 n PRO 548 Ca -0.03 0.65 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 2wc0 n PRO 548 Cb 0.60 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 2wc0 n PRO 548 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wc0 s ALA 549 N -1.27 2.49 -0.54 3.55 0.00 0.13 -4.77 121.76 121.34 2wc0 s ALA 549 Ca 0.69 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.19 2wc0 s ALA 549 Cb -0.43 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.02 2wc0 s ALA 549 CO 0.52 0.56 1.19 -1.17 0.00 0.00 0.00 175.76 176.86 2wc0 s LEU 550 N -1.21 3.51 0.00 0.00 2.96 -1.26 -0.34 118.68 122.34 2wc0 s LEU 550 Ca 0.13 0.25 0.10 0.00 -0.22 0.00 0.00 54.13 54.39 2wc0 s LEU 550 Cb -0.10 -3.30 0.19 0.00 0.50 0.00 0.00 46.19 43.48 2wc0 s LEU 550 CO 0.03 -1.42 1.04 2.30 -1.32 0.00 0.00 176.35 176.98 2wc0 n ILE 551 N 6.75 0.49 -3.66 6.68 -5.35 0.16 -4.93 119.36 119.51 2wc0 n ILE 551 Ca 0.10 -0.75 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 2wc0 n ILE 551 Cb 0.49 0.87 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 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 -0.94 0.57 -0.43 6.28 2.20 -1.21 -4.94 119.74 121.27 2wc0 s LYS 552 Ca 0.17 1.09 0.05 0.00 -0.36 0.00 0.00 55.97 56.92 2wc0 s LYS 552 Cb 0.10 0.16 0.20 0.00 -1.51 0.00 0.00 37.83 36.78 2wc0 s LYS 552 CO 0.14 -0.16 0.41 -3.47 -0.36 0.00 0.00 175.35 171.91 2wc0 n ASP 553 N 4.47 0.00 -4.63 1.43 2.03 -1.25 -0.56 116.55 118.04 2wc0 n ASP 553 Ca -0.20 -2.54 -0.28 0.00 0.52 0.00 0.00 54.79 52.29 2wc0 n ASP 553 Cb 0.56 -0.59 -0.11 0.00 -0.72 0.00 0.00 41.12 40.26 2wc0 n ASP 553 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wc0 s THR 554 N -0.47 1.87 0.28 5.18 -4.23 0.47 -5.00 115.64 113.74 2wc0 s THR 554 Ca 0.33 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2wc0 s THR 554 Cb 0.08 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.31 2wc0 s THR 554 CO -0.17 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.79 2wc0 h ALA 555 N 1.73 1.48 0.19 3.99 0.00 -2.00 -2.84 119.26 121.81 2wc0 h ALA 555 Ca -0.44 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 2wc0 h ALA 555 Cb 1.25 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2wc0 h ALA 555 CO 0.80 0.34 -1.35 1.98 0.00 0.00 0.00 179.25 181.01 2wc0 h MET 556 N 1.07 0.44 -2.60 0.00 1.85 -1.92 -3.38 114.93 110.40 2wc0 h MET 556 Ca 0.44 -0.73 -0.09 0.00 -0.61 0.00 0.00 59.70 58.71 2wc0 h MET 556 Cb 0.29 0.27 -0.20 0.00 0.43 0.00 0.00 31.60 32.39 2wc0 h MET 556 CO -0.20 1.34 -0.08 -1.54 -0.40 0.00 0.00 176.91 176.04 2wc0 s SER 557 N -7.39 -0.39 -0.27 1.39 1.04 -1.07 -1.37 113.70 105.64 2wc0 s SER 557 Ca -0.07 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.74 2wc0 s SER 557 Cb 0.06 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.67 2wc0 s SER 557 CO 0.92 -0.51 -0.04 -0.75 0.98 0.00 0.00 173.24 173.84 2wc0 s LYS 558 N -1.24 1.68 -0.41 4.02 2.20 0.99 -0.40 119.74 126.59 2wc0 s LYS 558 Ca -0.12 -1.26 -0.17 0.00 -0.36 0.00 0.00 55.97 54.06 2wc0 s LYS 558 Cb -0.03 -2.73 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2wc0 s LYS 558 CO 0.07 -0.69 0.41 -1.17 -0.36 0.00 0.00 175.35 173.61 2wc0 s LEU 559 N 1.24 4.82 -0.09 5.43 2.96 0.27 -1.52 118.68 131.79 2wc0 s LEU 559 Ca -0.02 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 2wc0 s LEU 559 Cb -0.19 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 2wc0 s LEU 559 CO -0.08 -0.52 0.24 0.26 -1.32 0.00 0.00 176.35 174.93 2wc0 s TRP 560 N 2.06 3.62 -0.07 5.38 0.52 0.70 0.41 118.94 131.56 2wc0 s TRP 560 Ca 0.11 0.67 -0.06 0.00 0.02 0.00 0.00 56.10 56.85 2wc0 s TRP 560 Cb -0.17 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.07 2wc0 s TRP 560 CO 0.13 0.64 0.19 0.12 0.02 0.00 0.00 176.95 178.04 2wc0 s PHE 561 N -0.82 -0.21 -0.11 -1.98 5.36 0.53 -0.79 117.98 119.95 2wc0 s PHE 561 Ca 0.18 0.53 -0.05 0.00 -0.96 0.00 0.00 56.93 56.62 2wc0 s PHE 561 Cb -0.14 0.05 0.05 0.00 -0.34 0.00 0.00 43.02 42.64 2wc0 s PHE 561 CO 0.07 -0.12 0.24 0.21 -1.46 0.00 0.00 175.22 174.16 2wc0 s LYS 562 N 0.39 0.16 0.10 10.12 2.20 -0.61 -0.69 119.74 131.42 2wc0 s LYS 562 Ca -0.02 0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 55.90 2wc0 s LYS 562 Cb -0.04 -0.10 -0.07 0.00 -1.51 0.00 0.00 37.83 36.12 2wc0 s LYS 562 CO -0.02 -0.23 1.30 -1.14 -0.36 0.00 0.00 175.35 174.91 2wc0 s GLN 563 N 1.84 4.37 0.07 4.03 0.74 -1.26 -2.19 119.66 127.26 2wc0 s GLN 563 Ca -0.04 1.95 -0.32 0.00 0.05 0.00 0.00 55.36 57.00 2wc0 s GLN 563 Cb -0.11 -3.28 -0.11 0.00 1.10 0.00 0.00 33.01 30.61 2wc0 s GLN 563 CO -0.08 -0.34 1.84 -3.47 -0.55 0.00 0.00 175.29 172.68 2wc0 n ASP 564 N 3.80 3.84 -0.24 6.67 2.03 0.25 -4.83 116.55 128.07 2wc0 n ASP 564 Ca 0.10 0.98 0.09 0.00 0.52 0.00 0.00 54.79 56.48 2wc0 n ASP 564 Cb 0.44 -1.49 0.15 0.00 -0.72 0.00 0.00 41.12 39.50 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 5.88 2.08 0.00 1.67 3.85 -1.26 -4.82 116.55 123.95 2wc0 n ASP 565 Ca 0.19 -3.25 0.00 0.00 -0.71 0.00 0.00 54.79 51.02 2wc0 n ASP 565 Cb 0.35 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.68 2wc0 n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2wc0 n LYS 566 N -1.28 0.00 -0.04 0.11 5.02 -1.26 -4.98 118.16 115.73 2wc0 n LYS 566 Ca 0.16 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2wc0 n LYS 566 Cb 0.66 -0.24 -0.14 0.00 -0.02 0.00 0.00 35.03 35.29 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 -2.53 0.63 -2.62 2.13 3.01 -1.26 -4.99 117.46 111.82 2wc0 n PHE 567 Ca 0.00 0.23 -0.21 0.00 1.01 0.00 0.00 57.45 58.48 2wc0 n PHE 567 Cb 0.16 -1.10 0.00 0.00 -0.01 0.00 0.00 39.48 38.54 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 -2.91 -1.36 -3.96 1.38 3.01 -1.26 -4.99 117.46 107.37 2wc0 n PHE 568 Ca -0.22 0.17 -0.23 0.00 1.01 0.00 0.00 57.45 58.19 2wc0 n PHE 568 Cb 1.06 -3.98 -0.02 0.00 -0.01 0.00 0.00 39.48 36.53 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 -6.21 4.33 -1.53 4.37 1.43 -1.26 -4.95 118.68 114.84 2wc0 s LEU 569 Ca 0.10 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 2wc0 s LEU 569 Cb -0.05 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 2wc0 s LEU 569 CO 0.13 -0.02 2.59 -0.81 0.23 0.00 0.00 176.35 178.46 2wc0 n PRO 570 N -1.08 3.34 -4.14 1.29 -0.04 -1.26 -4.56 135.00 128.55 2wc0 n PRO 570 Ca -0.08 -2.45 -0.09 0.00 -0.04 0.00 0.00 63.50 60.83 2wc0 n PRO 570 Cb 0.56 -3.02 -0.10 0.00 -0.04 0.00 0.00 33.50 30.90 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 2.49 0.75 0.08 0.54 1.02 -1.26 -2.15 119.74 121.22 2wc0 s LYS 571 Ca 0.58 -1.30 -0.13 0.00 0.02 0.00 0.00 55.97 55.15 2wc0 s LYS 571 Cb 0.16 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2wc0 s LYS 571 CO -0.07 -0.06 0.30 0.00 -0.92 0.00 0.00 175.35 174.60 2wc0 s ALA 572 N -3.74 -0.62 -0.09 5.17 0.00 0.16 -0.94 121.76 121.69 2wc0 s ALA 572 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.89 2wc0 s ALA 572 Cb 0.06 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 2wc0 s ALA 572 CO -0.07 -0.52 -0.21 -0.80 0.00 0.00 0.00 175.76 174.17 2wc0 s ASN 573 N -2.55 3.37 -0.26 0.00 0.01 0.34 -2.58 114.94 113.27 2wc0 s ASN 573 Ca 0.01 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 2wc0 s ASN 573 Cb 0.02 -1.30 0.07 0.00 0.41 0.00 0.00 41.25 40.45 2wc0 s ASN 573 CO -0.09 0.19 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.89 2wc0 s LEU 574 N 0.17 2.99 -0.07 0.60 1.43 -0.37 -0.93 118.68 122.50 2wc0 s LEU 574 Ca -0.12 -1.36 0.02 0.00 -1.03 0.00 0.00 54.13 51.64 2wc0 s LEU 574 Cb -0.16 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2wc0 s LEU 574 CO 0.06 -0.25 -0.12 0.20 0.23 0.00 0.00 176.35 176.47 2wc0 s ASN 575 N 1.29 4.22 -0.05 2.29 0.02 -0.36 -0.73 114.94 121.63 2wc0 s ASN 575 Ca -0.04 -0.17 0.00 0.00 -1.02 0.00 0.00 52.86 51.64 2wc0 s ASN 575 Cb -0.19 -1.08 0.02 0.00 0.02 0.00 0.00 41.25 40.02 2wc0 s ASN 575 CO -0.07 0.32 -0.02 -0.36 0.02 0.00 0.00 177.10 176.98 2wc0 s PHE 576 N -0.55 0.59 -0.15 2.20 0.40 0.38 -0.89 117.98 119.96 2wc0 s PHE 576 Ca 0.08 -0.13 -0.19 0.00 -0.60 0.00 0.00 56.93 56.08 2wc0 s PHE 576 Cb -0.12 -0.62 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 2wc0 s PHE 576 CO 0.02 -0.21 0.54 -1.21 0.70 0.00 0.00 175.22 175.06 2wc0 s GLU 577 N 1.21 4.28 -0.31 0.44 0.41 0.71 -1.88 118.70 123.56 2wc0 s GLU 577 Ca -0.07 0.52 -0.14 0.00 -0.41 0.00 0.00 54.97 54.86 2wc0 s GLU 577 Cb -0.14 -3.50 -0.02 0.00 -1.78 0.00 0.00 34.13 28.69 2wc0 s GLU 577 CO -0.02 -0.02 0.34 -0.06 -0.49 0.00 0.00 175.26 175.01 2wc0 s PHE 578 N 1.19 3.22 -0.22 1.61 0.40 0.17 -1.31 117.98 123.04 2wc0 s PHE 578 Ca 0.27 0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.54 2wc0 s PHE 578 Cb -0.16 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 2wc0 s PHE 578 CO 0.11 -0.34 0.48 -0.06 0.70 0.00 0.00 175.22 176.12 2wc0 s PHE 579 N 1.99 3.33 -0.04 0.36 0.40 -0.57 -1.30 117.98 122.15 2wc0 s PHE 579 Ca 0.12 0.68 0.01 0.00 -0.60 0.00 0.00 56.93 57.14 2wc0 s PHE 579 Cb -0.16 -2.65 0.02 0.00 0.51 0.00 0.00 43.02 40.74 2wc0 s PHE 579 CO 0.11 -0.14 -0.05 0.45 0.70 0.00 0.00 175.22 176.29 2wc0 s SER 580 N 1.28 0.89 0.47 1.36 0.15 -0.36 -2.67 113.70 114.81 2wc0 s SER 580 Ca 0.22 -0.13 0.14 0.00 0.70 0.00 0.00 55.95 56.88 2wc0 s SER 580 Cb -0.15 -0.39 1.07 0.00 -1.71 0.00 0.00 66.02 64.84 2wc0 s SER 580 CO 0.09 -0.03 2.05 1.55 1.20 0.00 0.00 173.24 178.10 2wc0 h PRO 581 N 6.96 0.06 0.00 5.44 0.13 -1.86 -2.10 132.00 140.63 2wc0 h PRO 581 Ca -0.37 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2wc0 h PRO 581 Cb 1.16 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2wc0 h PRO 581 CO 0.48 0.14 0.00 1.19 -0.23 0.00 0.00 178.00 179.58 2wc0 n PHE 582 N -4.41 0.00 0.56 1.56 3.01 -1.26 -2.47 117.46 114.45 2wc0 n PHE 582 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 2wc0 n PHE 582 Cb 0.18 -0.24 0.44 0.00 -0.01 0.00 0.00 39.48 39.84 2wc0 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wc0 n ALA 583 N -1.24 2.07 -1.43 4.37 0.00 -0.79 -4.00 120.51 119.49 2wc0 n ALA 583 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2wc0 n ALA 583 Cb 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2wc0 n ALA 583 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wc0 n TYR 584 N -2.24 0.00 -0.34 0.00 4.19 -1.19 -3.02 117.16 114.56 2wc0 n TYR 584 Ca 0.04 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.40 2wc0 n TYR 584 Cb 0.36 0.06 0.34 0.00 0.49 0.00 0.00 39.34 40.59 2wc0 n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2wc0 h VAL 585 N 3.31 0.61 -3.41 2.97 3.04 -1.61 -3.44 116.25 117.72 2wc0 h VAL 585 Ca 0.00 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2wc0 h VAL 585 Cb 1.02 -0.08 -0.09 0.00 -2.01 0.00 0.00 31.29 30.14 2wc0 h VAL 585 CO 0.00 0.12 -0.00 1.51 -1.01 0.00 0.00 177.57 178.18 2wc0 s ASP 586 N -5.30 -0.17 0.30 3.17 1.47 -1.26 -5.01 116.67 109.86 2wc0 s ASP 586 Ca -0.11 -0.73 0.04 0.00 1.18 0.00 0.00 52.55 52.94 2wc0 s ASP 586 Cb 0.26 0.61 0.80 0.00 -0.34 0.00 0.00 42.92 44.25 2wc0 s ASP 586 CO 0.80 -1.16 1.61 -0.65 0.68 0.00 0.00 175.17 176.45 2wc0 h PRO 587 N 2.19 0.10 -0.46 2.11 0.11 -1.92 0.61 132.00 134.75 2wc0 h PRO 587 Ca -0.25 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 2wc0 h PRO 587 Cb 1.25 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2wc0 h PRO 587 CO 0.33 0.07 0.11 1.25 -0.21 0.00 0.00 178.00 179.55 2wc0 h LEU 588 N 0.11 0.65 -0.18 2.35 5.85 -1.90 0.02 115.31 122.20 2wc0 h LEU 588 Ca 0.60 -0.11 -0.22 0.00 0.84 0.00 0.00 57.88 59.00 2wc0 h LEU 588 Cb 1.29 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.16 2wc0 h LEU 588 CO -0.77 0.65 -0.74 0.45 -0.34 0.00 0.00 178.44 177.69 2wc0 h HIS 589 N 0.68 1.08 -0.34 1.25 3.86 -1.24 -1.51 115.15 118.93 2wc0 h HIS 589 Ca 0.15 -0.46 0.03 0.00 -1.16 0.00 0.00 60.37 58.93 2wc0 h HIS 589 Cb 0.26 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 2wc0 h HIS 589 CO 0.01 1.30 0.15 1.03 0.86 0.00 0.00 177.93 181.28 2wc0 h SER 590 N 0.57 0.21 -0.21 2.45 0.87 -1.14 0.21 113.55 116.51 2wc0 h SER 590 Ca -0.04 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2wc0 h SER 590 Cb 1.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2wc0 h SER 590 CO 0.15 0.16 0.14 0.78 -0.53 0.00 0.00 176.83 177.53 2wc0 h ASN 591 N 0.32 0.21 0.08 6.23 2.35 -0.68 -2.04 115.58 122.04 2wc0 h ASN 591 Ca 0.15 -0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.61 2wc0 h ASN 591 Cb 0.08 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 38.42 2wc0 h ASN 591 CO -0.12 0.15 -1.13 0.24 -1.65 0.00 0.00 177.43 174.92 2wc0 h MET 592 N 0.25 0.63 -0.13 0.81 2.86 0.11 0.13 114.93 119.58 2wc0 h MET 592 Ca 0.08 -0.78 0.02 0.00 -2.06 0.00 0.00 59.70 56.96 2wc0 h MET 592 Cb 0.02 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2wc0 h MET 592 CO -0.02 1.35 -0.02 0.00 1.06 0.00 0.00 176.91 179.28 2wc0 h ALA 593 N 0.32 0.10 0.56 6.32 0.00 -0.50 0.35 119.26 126.41 2wc0 h ALA 593 Ca -0.16 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wc0 h ALA 593 Cb 1.80 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2wc0 h ALA 593 CO 0.22 -0.47 -0.44 -0.92 0.00 0.00 0.00 179.25 177.64 2wc0 h TYR 594 N 0.02 -1.19 -0.78 0.00 3.20 -1.32 -1.07 116.97 115.83 2wc0 h TYR 594 Ca 0.06 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2wc0 h TYR 594 Cb 0.09 0.45 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 2wc0 h TYR 594 CO -0.16 -0.62 0.49 -0.07 -1.64 0.00 0.00 178.16 176.15 2wc0 h LEU 595 N -0.97 0.80 0.01 2.82 -0.00 0.13 -1.74 115.31 116.35 2wc0 h LEU 595 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2wc0 h LEU 595 Cb 0.82 -0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 41.26 2wc0 h LEU 595 CO 0.00 0.54 -0.45 0.22 -0.00 0.00 0.00 178.44 178.75 2wc0 h TYR 596 N 0.94 -1.30 -0.38 1.13 3.20 -0.07 0.12 116.97 120.61 2wc0 h TYR 596 Ca 0.32 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 2wc0 h TYR 596 Cb 0.06 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2wc0 h TYR 596 CO -0.04 -0.52 0.07 -0.07 -1.64 0.00 0.00 178.16 175.96 2wc0 h LEU 597 N -0.62 0.53 -0.69 2.82 4.07 -0.73 0.30 115.31 120.99 2wc0 h LEU 597 Ca 0.04 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 2wc0 h LEU 597 Cb 0.68 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 2wc0 h LEU 597 CO -0.32 0.55 0.15 -0.33 -1.08 0.00 0.00 178.44 177.41 2wc0 h GLU 598 N 0.56 1.11 -0.28 1.13 4.39 -0.45 -2.03 114.58 119.01 2wc0 h GLU 598 Ca 0.13 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2wc0 h GLU 598 Cb 0.25 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2wc0 h GLU 598 CO 0.00 0.99 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.55 2wc0 h LEU 599 N 1.05 0.54 0.85 1.33 3.38 0.61 0.50 115.31 123.56 2wc0 h LEU 599 Ca 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2wc0 h LEU 599 Cb 0.39 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wc0 h LEU 599 CO 0.01 0.77 -0.41 0.25 0.09 0.00 0.00 178.44 179.14 2wc0 h LEU 600 N 0.48 -0.96 -0.68 1.67 5.85 -0.88 -1.56 115.31 119.23 2wc0 h LEU 600 Ca 0.07 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.93 2wc0 h LEU 600 Cb 0.66 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 2wc0 h LEU 600 CO 0.05 -0.68 0.28 0.11 -0.34 0.00 0.00 178.44 177.85 2wc0 h LYS 601 N -1.15 0.45 -0.90 1.25 1.57 -1.12 0.51 116.57 117.18 2wc0 h LYS 601 Ca -0.12 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2wc0 h LYS 601 Cb 0.87 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 2wc0 h LYS 601 CO 0.19 0.30 0.58 0.22 -0.57 0.00 0.00 179.45 180.17 2wc0 h ASP 602 N 0.46 0.68 0.36 0.86 1.82 0.02 -1.10 116.42 119.52 2wc0 h ASP 602 Ca 0.35 0.04 -0.31 0.00 -0.39 0.00 0.00 57.03 56.71 2wc0 h ASP 602 Cb 0.45 -0.09 0.03 0.00 0.68 0.00 0.00 39.33 40.39 2wc0 h ASP 602 CO -0.33 0.35 -1.38 -1.28 -1.61 0.00 0.00 179.24 174.99 2wc0 h SER 603 N 0.73 0.73 0.77 2.28 0.87 0.53 -3.20 113.55 116.25 2wc0 h SER 603 Ca 0.45 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2wc0 h SER 603 Cb 0.69 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2wc0 h SER 603 CO -0.21 1.59 0.00 -0.07 -0.53 0.00 0.00 176.83 177.61 2wc0 h LEU 604 N 0.14 0.00 -0.29 2.23 3.38 0.20 -3.39 115.31 117.58 2wc0 h LEU 604 Ca -0.21 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2wc0 h LEU 604 Cb 2.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.75 2wc0 h LEU 604 CO 0.25 0.00 -0.37 -1.13 0.09 0.00 0.00 178.44 177.28 2wc0 h ASN 605 N 0.00 -1.20 -0.97 -0.43 -0.00 -1.21 0.23 115.58 112.00 2wc0 h ASN 605 Ca 0.00 0.19 0.20 0.00 -0.00 0.00 0.00 56.30 56.69 2wc0 h ASN 605 Cb 0.38 0.53 -0.09 0.00 -0.00 0.00 0.00 38.32 39.14 2wc0 h ASN 605 CO 0.00 -0.36 0.62 -0.33 -0.00 0.00 0.00 177.43 177.35 2wc0 h GLU 606 N -0.35 0.56 0.06 6.67 5.08 -1.77 -0.54 114.58 124.28 2wc0 h GLU 606 Ca 0.13 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 2wc0 h GLU 606 Cb 0.57 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2wc0 h GLU 606 CO -0.48 0.37 -1.72 -0.92 -1.00 0.00 0.00 179.01 175.26 2wc0 h TYR 607 N 0.58 0.23 0.00 4.33 3.20 -1.22 -3.32 116.97 120.76 2wc0 h TYR 607 Ca 0.54 -0.16 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 2wc0 h TYR 607 Cb 1.09 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2wc0 h TYR 607 CO -0.00 1.30 -0.25 0.00 -1.64 0.00 0.00 178.16 177.56 2wc0 h ALA 608 N 0.64 0.99 -0.41 1.82 0.00 0.24 -3.31 119.26 119.22 2wc0 h ALA 608 Ca -0.30 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2wc0 h ALA 608 Cb 2.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 2wc0 h ALA 608 CO 0.10 0.32 0.16 -0.92 0.00 0.00 0.00 179.25 178.90 2wc0 h TYR 609 N 0.00 0.28 -0.66 0.00 3.20 -1.23 0.57 116.97 119.13 2wc0 h TYR 609 Ca -0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2wc0 h TYR 609 Cb 0.81 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 2wc0 h TYR 609 CO 0.00 0.11 0.39 0.00 -1.64 0.00 0.00 178.16 177.02 2wc0 h ALA 610 N 1.26 0.88 -0.79 1.82 0.00 -1.77 0.12 119.26 120.78 2wc0 h ALA 610 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2wc0 h ALA 610 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2wc0 h ALA 610 CO -0.18 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.46 2wc0 h ALA 611 N 1.32 1.03 -0.32 0.00 0.00 -1.08 -1.56 119.26 118.66 2wc0 h ALA 611 Ca 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wc0 h ALA 611 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wc0 h ALA 611 CO -0.15 0.67 0.08 1.49 0.00 0.00 0.00 179.25 181.34 2wc0 h GLU 612 N 1.15 0.51 -0.84 0.00 4.81 0.23 0.08 114.58 120.52 2wc0 h GLU 612 Ca 0.26 -0.12 0.19 0.00 -0.13 0.00 0.00 59.36 59.56 2wc0 h GLU 612 Cb 0.24 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2wc0 h GLU 612 CO -0.02 0.57 0.56 -0.07 -0.73 0.00 0.00 179.01 179.33 2wc0 h LEU 613 N 0.35 0.35 -1.68 1.64 3.38 -0.58 -0.41 115.31 118.36 2wc0 h LEU 613 Ca 0.10 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wc0 h LEU 613 Cb 0.30 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wc0 h LEU 613 CO 0.00 0.15 0.01 0.00 0.09 0.00 0.00 178.44 178.69 2wc0 n ALA 614 N -2.54 2.87 -2.32 1.53 0.00 -0.07 -4.88 120.51 115.10 2wc0 n ALA 614 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 2wc0 n ALA 614 Cb 0.67 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.16 -0.09 2.88 0.00 0.00 -0.16 -4.68 105.19 103.29 2wc0 n GLY 615 Ca 0.07 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.52 1.41 0.34 0.99 0.20 -0.71 -2.50 118.68 114.88 2wc0 s LEU 616 Ca 0.04 -0.52 0.05 0.00 0.69 0.00 0.00 54.13 54.38 2wc0 s LEU 616 Cb -0.02 -0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 2wc0 s LEU 616 CO 0.04 -0.17 0.21 -0.94 -0.29 0.00 0.00 176.35 175.20 2wc0 s SER 617 N 1.68 1.85 0.04 3.68 1.04 -0.32 -2.12 113.70 119.55 2wc0 s SER 617 Ca 0.02 -1.67 -0.13 0.00 0.48 0.00 0.00 55.95 54.65 2wc0 s SER 617 Cb -0.14 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2wc0 s SER 617 CO -0.08 -0.98 0.29 -0.72 0.98 0.00 0.00 173.24 172.73 2wc0 s TYR 618 N -3.46 -0.09 -0.09 5.02 -0.85 -1.26 -1.64 117.35 114.97 2wc0 s TYR 618 Ca 0.35 -0.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.90 2wc0 s TYR 618 Cb 0.03 0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.46 2wc0 s TYR 618 CO 0.21 -0.48 -0.19 0.34 -1.52 0.00 0.00 175.55 173.91 2wc0 s ASP 619 N -2.00 2.56 -0.16 -0.18 2.15 0.57 -4.98 116.67 114.64 2wc0 s ASP 619 Ca -0.06 -0.46 -0.04 0.00 0.43 0.00 0.00 52.55 52.42 2wc0 s ASP 619 Cb -0.01 -1.17 0.07 0.00 -0.30 0.00 0.00 42.92 41.50 2wc0 s ASP 619 CO -0.03 0.09 0.14 -0.22 -0.17 0.00 0.00 175.17 174.99 2wc0 s LEU 620 N 0.56 0.12 0.12 -1.34 2.96 -1.26 -0.84 118.68 119.00 2wc0 s LEU 620 Ca -0.15 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 2wc0 s LEU 620 Cb -0.17 0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 2wc0 s LEU 620 CO 0.05 -0.32 0.18 0.00 -1.32 0.00 0.00 176.35 174.94 2wc0 s GLN 621 N 2.22 0.94 0.18 1.98 -2.07 -0.48 -4.93 119.66 117.51 2wc0 s GLN 621 Ca 0.04 -1.14 -0.21 0.00 -1.82 0.00 0.00 55.36 52.23 2wc0 s GLN 621 Cb -0.15 0.32 -0.08 0.00 -1.09 0.00 0.00 33.01 32.02 2wc0 s GLN 621 CO -0.09 -0.30 0.70 0.54 -1.32 0.00 0.00 175.29 174.81 2wc0 s ASN 622 N -2.93 7.14 0.33 12.60 6.03 -1.26 -0.03 114.94 136.81 2wc0 s ASN 622 Ca 0.12 1.43 0.05 0.00 -1.03 0.00 0.00 52.86 53.43 2wc0 s ASN 622 Cb 0.05 -2.42 -0.06 0.00 -3.03 0.00 0.00 41.25 35.78 2wc0 s ASN 622 CO -0.05 0.13 0.03 0.42 -2.03 0.00 0.00 177.10 175.60 2wc0 s THR 623 N -1.34 1.39 -1.35 0.54 -4.23 0.24 -4.89 115.64 105.99 2wc0 s THR 623 Ca 0.38 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2wc0 s THR 623 Cb -0.19 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.97 2wc0 s THR 623 CO 0.22 -0.06 1.00 2.30 -0.54 0.00 0.00 174.62 177.54 2wc0 n ILE 624 N -0.71 1.11 0.42 2.99 -5.35 -1.26 -1.96 119.36 114.61 2wc0 n ILE 624 Ca -0.03 0.28 0.04 0.00 -0.27 0.00 0.00 62.75 62.77 2wc0 n ILE 624 Cb 0.66 -1.20 -0.05 0.00 -1.74 0.00 0.00 39.64 37.31 2wc0 n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2wc0 n TYR 625 N -1.33 0.00 0.00 4.28 4.02 -1.26 -4.56 117.16 118.32 2wc0 n TYR 625 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2wc0 n TYR 625 Cb 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 1.21 0.35 3.11 2.72 0.00 -0.83 -1.23 105.19 110.54 2wc0 n GLY 626 Ca 0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2wc0 n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wc0 s MET 627 N 0.00 0.67 -0.06 1.61 -1.94 -0.42 0.79 119.30 119.96 2wc0 s MET 627 Ca 0.00 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 52.97 2wc0 s MET 627 Cb 0.00 -0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.61 2wc0 s MET 627 CO 0.00 0.01 -0.15 -0.47 -0.01 0.00 0.00 175.02 174.41 2wc0 s TYR 628 N -2.52 1.59 -0.08 -0.03 5.04 0.96 -0.65 117.35 121.66 2wc0 s TYR 628 Ca 0.01 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 2wc0 s TYR 628 Cb -0.02 -1.11 0.02 0.00 0.35 0.00 0.00 41.96 41.20 2wc0 s TYR 628 CO -0.02 -0.23 -0.05 -1.17 -1.34 0.00 0.00 175.55 172.74 2wc0 s LEU 629 N 0.35 1.12 -0.04 6.97 0.20 -0.79 -1.38 118.68 125.11 2wc0 s LEU 629 Ca -0.10 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.58 2wc0 s LEU 629 Cb -0.14 -0.63 -0.01 0.00 -0.43 0.00 0.00 46.19 44.98 2wc0 s LEU 629 CO 0.03 -0.10 -0.21 -0.55 -0.29 0.00 0.00 176.35 175.23 2wc0 s SER 630 N 1.44 2.52 -0.12 3.68 0.15 -0.02 -0.47 113.70 120.89 2wc0 s SER 630 Ca -0.02 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2wc0 s SER 630 Cb -0.13 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.58 2wc0 s SER 630 CO -0.04 0.21 -0.14 -0.69 1.20 0.00 0.00 173.24 173.78 2wc0 s VAL 631 N -0.14 1.47 0.11 4.45 1.01 0.09 -0.31 120.40 127.08 2wc0 s VAL 631 Ca -0.01 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2wc0 s VAL 631 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2wc0 s VAL 631 CO 0.02 0.44 -0.10 -0.54 0.00 0.00 0.00 175.10 174.92 2wc0 s LYS 632 N 1.16 0.89 0.00 2.72 1.02 -0.65 -1.24 119.74 123.64 2wc0 s LYS 632 Ca -0.03 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2wc0 s LYS 632 Cb -0.14 -0.55 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 2wc0 s LYS 632 CO -0.04 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 2wc0 n GLY 633 N 0.40 0.75 3.73 -3.33 0.00 -1.06 -1.17 105.19 104.50 2wc0 n GLY 633 Ca -0.15 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.46 2.98 0.34 1.61 2.02 -1.04 0.38 117.35 122.17 2wc0 s TYR 634 Ca 0.00 0.80 0.07 0.00 -0.37 0.00 0.00 57.07 57.57 2wc0 s TYR 634 Cb 0.00 -3.92 0.60 0.00 -0.40 0.00 0.00 41.96 38.24 2wc0 s TYR 634 CO 0.00 -3.20 1.81 -2.95 -1.57 0.00 0.00 175.55 169.64 2wc0 h ASN 635 N 5.73 0.29 -0.70 2.29 -1.07 -1.70 -3.36 115.58 117.05 2wc0 h ASN 635 Ca -0.45 -0.08 0.12 0.00 0.07 0.00 0.00 56.30 55.96 2wc0 h ASN 635 Cb 1.21 -0.08 -0.12 0.00 -2.07 0.00 0.00 38.32 37.26 2wc0 h ASN 635 CO 0.84 0.53 -0.23 -0.67 0.07 0.00 0.00 177.43 177.97 2wc0 n ASP 636 N -4.17 -0.36 -0.33 6.14 4.64 -1.26 -1.57 116.55 119.64 2wc0 n ASP 636 Ca -0.01 1.21 0.07 0.00 -1.38 0.00 0.00 54.79 54.69 2wc0 n ASP 636 Cb 0.36 -0.32 0.14 0.00 -1.04 0.00 0.00 41.12 40.27 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 -5.08 2.22 -0.18 -0.67 4.76 -1.26 -4.71 118.16 113.24 2wc0 n LYS 637 Ca 0.09 -2.37 -0.10 0.00 -2.87 0.00 0.00 58.31 53.06 2wc0 n LYS 637 Cb 0.31 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 32.05 2wc0 n LYS 637 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2wc0 h GLN 638 N 0.69 0.88 -0.29 1.97 4.15 -1.45 -2.32 115.11 118.73 2wc0 h GLN 638 Ca 0.00 -0.27 0.09 0.00 0.77 0.00 0.00 58.65 59.23 2wc0 h GLN 638 Cb 0.98 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2wc0 h GLN 638 CO 0.06 0.90 0.24 -1.35 -1.93 0.00 0.00 178.83 176.75 2wc0 h PRO 639 N 0.74 0.00 -0.43 -2.39 0.11 -1.84 -0.49 132.00 127.70 2wc0 h PRO 639 Ca 0.15 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 2wc0 h PRO 639 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2wc0 h PRO 639 CO 0.02 0.00 -0.09 0.82 -0.21 0.00 0.00 178.00 178.54 2wc0 h ILE 640 N 0.00 1.27 -0.07 4.15 2.04 -1.77 -1.92 117.51 121.22 2wc0 h ILE 640 Ca 0.14 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 2wc0 h ILE 640 Cb 0.63 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2wc0 h ILE 640 CO -0.00 0.40 -0.26 0.25 0.00 0.00 0.00 178.15 178.54 2wc0 h LEU 641 N 0.65 0.35 -0.22 1.44 5.85 -1.08 -1.87 115.31 120.44 2wc0 h LEU 641 Ca 0.11 -0.63 0.06 0.00 0.84 0.00 0.00 57.88 58.25 2wc0 h LEU 641 Cb 0.62 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 2wc0 h LEU 641 CO 0.04 0.92 -0.35 0.25 -0.34 0.00 0.00 178.44 178.97 2wc0 h LEU 642 N -0.20 -1.10 -0.10 2.25 6.46 -1.32 0.09 115.31 121.38 2wc0 h LEU 642 Ca -0.01 0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2wc0 h LEU 642 Cb 0.90 0.48 -0.06 0.00 -0.73 0.00 0.00 40.66 41.25 2wc0 h LEU 642 CO 0.06 -0.36 -0.54 0.50 -0.62 0.00 0.00 178.44 177.47 2wc0 h LYS 643 N -0.37 -0.58 -0.79 1.25 3.11 -1.30 -2.12 116.57 115.77 2wc0 h LYS 643 Ca 0.11 0.04 0.10 0.00 -2.81 0.00 0.00 60.65 58.10 2wc0 h LYS 643 Cb 0.56 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 31.85 2wc0 h LYS 643 CO -0.42 -0.39 0.43 -0.22 -2.81 0.00 0.00 179.45 176.04 2wc0 h LYS 644 N -0.60 0.68 0.51 1.90 1.63 -0.49 -1.03 116.57 119.16 2wc0 h LYS 644 Ca 0.03 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2wc0 h LYS 644 Cb 0.69 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2wc0 h LYS 644 CO -0.42 0.45 -0.46 0.82 -3.45 0.00 0.00 179.45 176.39 2wc0 h ILE 645 N 0.70 0.00 -0.64 2.00 2.04 -0.44 -0.12 117.51 121.05 2wc0 h ILE 645 Ca 0.39 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.24 2wc0 h ILE 645 Cb 0.42 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2wc0 h ILE 645 CO -0.28 0.00 0.36 0.40 0.00 0.00 0.00 178.15 178.63 2wc0 h ILE 646 N -0.96 1.20 -0.96 -0.67 1.08 -1.00 0.23 117.51 116.43 2wc0 h ILE 646 Ca -0.07 -0.49 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2wc0 h ILE 646 Cb 0.82 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 2wc0 h ILE 646 CO -0.03 0.22 0.62 -0.08 -0.69 0.00 0.00 178.15 178.19 2wc0 h GLU 647 N 0.87 1.15 -0.11 2.37 4.81 -1.16 -0.20 114.58 122.31 2wc0 h GLU 647 Ca 0.23 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 2wc0 h GLU 647 Cb 0.03 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2wc0 h GLU 647 CO -0.04 0.76 -0.59 0.87 -0.73 0.00 0.00 179.01 179.28 2wc0 h LYS 648 N 1.18 0.35 -0.57 1.92 1.57 0.10 -2.81 116.57 118.31 2wc0 h LYS 648 Ca 0.40 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2wc0 h LYS 648 Cb 0.07 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2wc0 h LYS 648 CO -0.14 0.84 0.33 1.98 -0.57 0.00 0.00 179.45 181.88 2wc0 h MET 649 N 0.26 0.79 -0.06 3.15 4.05 -0.09 -1.68 114.93 121.36 2wc0 h MET 649 Ca -0.00 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2wc0 h MET 649 Cb 1.11 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2wc0 h MET 649 CO 0.10 0.59 0.00 0.00 0.23 0.00 0.00 176.91 177.83 2wc0 n ALA 650 N -2.30 2.59 -2.15 0.39 0.00 -0.14 -3.77 120.51 115.13 2wc0 n ALA 650 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 2wc0 n ALA 650 Cb 0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.36 0.00 -1.81 0.00 -2.24 -1.02 -4.42 114.28 104.42 2wc0 n THR 651 Ca 0.16 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 2wc0 n THR 651 Cb 0.18 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2wc0 n THR 651 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2wc0 s PHE 652 N 0.00 2.78 -0.08 4.78 5.36 -0.66 -4.98 117.98 125.17 2wc0 s PHE 652 Ca 0.10 0.84 0.03 0.00 -0.96 0.00 0.00 56.93 56.94 2wc0 s PHE 652 Cb 0.12 -4.03 0.01 0.00 -0.34 0.00 0.00 43.02 38.77 2wc0 s PHE 652 CO -0.05 -3.42 -0.17 -1.21 -1.46 0.00 0.00 175.22 168.91 2wc0 s GLU 653 N -0.61 2.24 -0.04 10.12 2.02 -1.26 -5.10 118.70 126.07 2wc0 s GLU 653 Ca 0.62 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.77 2wc0 s GLU 653 Cb -0.47 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 2wc0 s GLU 653 CO 0.48 0.06 0.73 0.42 0.02 0.00 0.00 175.26 176.98 2wc0 s ILE 654 N 0.61 4.98 -0.29 -1.63 1.01 -1.26 -5.03 121.20 119.59 2wc0 s ILE 654 Ca -0.15 1.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 2wc0 s ILE 654 Cb -0.16 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.23 2wc0 s ILE 654 CO 0.05 0.27 1.30 -0.62 0.00 0.00 0.00 174.94 175.94 2wc0 s ASP 655 N 0.65 6.69 0.17 3.58 -1.08 -1.26 -4.97 116.67 120.46 2wc0 s ASP 655 Ca 0.39 1.25 -0.25 0.00 -0.52 0.00 0.00 52.55 53.42 2wc0 s ASP 655 Cb -0.18 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.79 2wc0 s ASP 655 CO 0.20 -1.06 1.57 -0.08 0.52 0.00 0.00 175.17 176.32 2wc0 h GLU 656 N 9.23 -0.20 -0.82 4.34 4.57 -1.99 -1.50 114.58 128.21 2wc0 h GLU 656 Ca -0.26 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.13 2wc0 h GLU 656 Cb 1.10 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.59 2wc0 h GLU 656 CO 1.03 -0.13 0.06 0.87 -1.18 0.00 0.00 179.01 179.65 2wc0 h LYS 657 N -0.20 0.11 0.51 1.92 1.79 -2.00 -1.80 116.57 116.89 2wc0 h LYS 657 Ca 0.19 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 2wc0 h LYS 657 Cb 0.56 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2wc0 h LYS 657 CO -0.71 0.07 -0.24 0.00 -1.08 0.00 0.00 179.45 177.49 2wc0 h ARG 658 N 0.11 -0.66 -0.76 3.15 2.47 -1.71 -2.48 114.38 114.51 2wc0 h ARG 658 Ca 0.47 0.04 0.18 0.00 -1.26 0.00 0.00 59.98 59.42 2wc0 h ARG 658 Cb 0.88 0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 29.21 2wc0 h ARG 658 CO -0.70 -0.36 -0.09 0.34 0.56 0.00 0.00 179.97 179.72 2wc0 n PHE 659 N -5.30 0.38 -0.07 3.04 7.35 -0.75 -0.69 117.46 121.42 2wc0 n PHE 659 Ca -0.11 0.92 -0.13 0.00 -0.76 0.00 0.00 57.45 57.37 2wc0 n PHE 659 Cb 0.32 -1.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.09 2wc0 n PHE 659 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2wc0 h GLU 660 N 0.00 0.46 0.38 -4.13 4.57 -1.07 -1.63 114.58 113.16 2wc0 h GLU 660 Ca 0.41 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2wc0 h GLU 660 Cb 0.75 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 2wc0 h GLU 660 CO -0.75 0.77 -0.37 0.82 -1.18 0.00 0.00 179.01 178.30 2wc0 h ILE 661 N 0.15 0.24 -0.60 2.32 1.08 -0.98 -1.79 117.51 117.94 2wc0 h ILE 661 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2wc0 h ILE 661 Cb 0.65 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 2wc0 h ILE 661 CO 0.04 0.00 0.34 0.40 -0.69 0.00 0.00 178.15 178.24 2wc0 h ILE 662 N -0.77 1.19 -0.53 -0.67 1.08 -0.93 -1.10 117.51 115.77 2wc0 h ILE 662 Ca -0.03 -0.47 0.10 0.00 -0.39 0.00 0.00 64.86 64.08 2wc0 h ILE 662 Cb 0.69 0.41 -0.09 0.00 -3.07 0.00 0.00 36.82 34.76 2wc0 h ILE 662 CO -0.06 0.20 0.02 0.50 -0.69 0.00 0.00 178.15 178.13 2wc0 h LYS 663 N 0.81 0.14 -0.57 2.37 3.64 -1.19 -0.57 116.57 121.20 2wc0 h LYS 663 Ca 0.21 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2wc0 h LYS 663 Cb 0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2wc0 h LYS 663 CO -0.04 0.09 0.18 1.49 -2.27 0.00 0.00 179.45 178.91 2wc0 h GLU 664 N 0.14 0.88 -0.27 1.90 4.22 -0.64 -1.41 114.58 119.41 2wc0 h GLU 664 Ca 0.27 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.53 2wc0 h GLU 664 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2wc0 h GLU 664 CO -0.43 0.79 0.18 0.00 -2.18 0.00 0.00 179.01 177.37 2wc0 h ALA 665 N 1.05 1.82 0.12 2.92 0.00 -0.13 -2.38 119.26 122.65 2wc0 h ALA 665 Ca 0.18 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 2wc0 h ALA 665 Cb 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wc0 h ALA 665 CO -0.01 0.17 -1.20 -0.92 0.00 0.00 0.00 179.25 177.28 2wc0 h TYR 666 N 0.36 0.57 -0.38 0.00 3.20 -0.50 0.28 116.97 120.49 2wc0 h TYR 666 Ca 0.10 -0.39 0.07 0.00 3.14 0.00 0.00 58.73 61.65 2wc0 h TYR 666 Cb -0.03 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 2wc0 h TYR 666 CO -0.00 1.28 -0.03 1.98 -1.64 0.00 0.00 178.16 179.75 2wc0 h MET 667 N 0.11 0.07 -0.84 1.82 4.05 -0.99 -1.53 114.93 117.62 2wc0 h MET 667 Ca -0.14 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 2wc0 h MET 667 Cb 1.91 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.66 2wc0 h MET 667 CO 0.20 0.04 0.42 0.00 0.23 0.00 0.00 176.91 177.81 2wc0 h ARG 668 N 0.07 1.19 0.12 0.39 3.08 -1.04 -1.07 114.38 117.12 2wc0 h ARG 668 Ca 0.19 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2wc0 h ARG 668 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2wc0 h ARG 668 CO -0.34 0.90 -0.06 1.03 -1.07 0.00 0.00 179.97 180.43 2wc0 h SER 669 N 1.19 -0.15 -0.21 7.04 0.87 -0.42 0.23 113.55 122.10 2wc0 h SER 669 Ca 0.29 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 2wc0 h SER 669 Cb 0.09 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 2wc0 h SER 669 CO -0.04 -0.11 -0.30 -0.07 -0.53 0.00 0.00 176.83 175.79 2wc0 h LEU 670 N -0.17 -0.94 -0.90 2.23 3.38 -0.96 -2.50 115.31 115.44 2wc0 h LEU 670 Ca -0.02 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.30 2wc0 h LEU 670 Cb 0.14 0.42 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 2wc0 h LEU 670 CO 0.02 -0.33 0.46 0.78 0.09 0.00 0.00 178.44 179.46 2wc0 h ASN 671 N -0.32 0.49 0.37 -0.43 2.35 -0.83 -1.99 115.58 115.22 2wc0 h ASN 671 Ca 0.12 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2wc0 h ASN 671 Cb 0.52 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2wc0 h ASN 671 CO -0.40 0.12 0.00 0.59 -1.65 0.00 0.00 177.43 176.09 2wc0 n ASN 672 N -4.93 0.00 0.30 5.81 5.03 0.78 -1.32 115.26 120.93 2wc0 n ASN 672 Ca 0.21 -0.01 0.18 0.00 0.87 0.00 0.00 54.58 55.84 2wc0 n ASN 672 Cb 0.58 -0.28 0.92 0.00 -1.02 0.00 0.00 39.78 39.97 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 -1.30 -0.69 116.94 121.62 2wc0 h PHE 673 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wc0 h PHE 673 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2wc0 h PHE 673 CO 0.00 0.03 0.00 -0.09 -2.23 0.00 0.00 178.31 176.02 2wc0 h ARG 674 N 0.00 0.00 -0.07 1.11 2.43 -1.40 -0.77 114.38 115.68 2wc0 h ARG 674 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wc0 h ARG 674 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2wc0 h ARG 674 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2wc0 n ALA 675 N -1.85 2.44 -0.89 2.80 0.00 -0.27 -4.36 120.51 118.39 2wc0 n ALA 675 Ca 0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 2wc0 n ALA 675 Cb 0.19 -0.46 0.16 0.00 0.00 0.00 0.00 19.45 19.35 2wc0 n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wc0 s GLU 676 N -1.09 0.90 0.49 0.00 0.41 -0.30 -4.94 118.70 114.17 2wc0 s GLU 676 Ca 0.17 1.17 -0.23 0.00 -0.41 0.00 0.00 54.97 55.67 2wc0 s GLU 676 Cb 0.11 -1.74 -0.07 0.00 -1.78 0.00 0.00 34.13 30.66 2wc0 s GLU 676 CO 0.17 -2.59 1.32 -1.14 -0.49 0.00 0.00 175.26 172.53 2wc0 s GLN 677 N -4.72 3.49 0.27 1.61 2.00 -1.26 -4.92 119.66 116.13 2wc0 s GLN 677 Ca 0.65 2.15 0.01 0.00 -2.00 0.00 0.00 55.36 56.18 2wc0 s GLN 677 Cb -0.21 -2.43 0.60 0.00 0.80 0.00 0.00 33.01 31.77 2wc0 s GLN 677 CO 0.59 -0.88 1.76 -1.35 -0.50 0.00 0.00 175.29 174.90 2wc0 h PRO 678 N 1.91 0.62 -3.74 1.67 0.11 -1.90 -3.17 132.00 127.49 2wc0 h PRO 678 Ca -0.50 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.13 2wc0 h PRO 678 Cb 1.27 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 32.27 2wc0 h PRO 678 CO 0.59 0.41 2.47 -2.39 -0.21 0.00 0.00 178.00 178.88 2wc0 n HIS 679 N -4.86 1.46 0.00 0.65 1.44 -1.26 -1.27 115.22 111.37 2wc0 n HIS 679 Ca 0.19 -1.87 0.00 0.00 -2.01 0.00 0.00 57.72 54.03 2wc0 n HIS 679 Cb 0.49 -1.64 0.00 0.00 0.12 0.00 0.00 29.99 28.95 2wc0 n HIS 679 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2wc0 n HIS 681 N 5.13 0.00 -0.23 -1.40 -0.00 -1.20 -2.77 115.22 114.75 2wc0 n HIS 681 Ca 0.44 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 58.19 2wc0 n HIS 681 Cb 0.20 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.34 2wc0 n HIS 681 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wc0 h ALA 682 N 0.00 0.83 -0.92 -1.41 0.00 -1.46 -1.31 119.26 114.99 2wc0 h ALA 682 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wc0 h ALA 682 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2wc0 h ALA 682 CO 0.00 -0.32 0.61 0.52 0.00 0.00 0.00 179.25 180.06 2wc0 h MET 683 N 0.26 1.21 0.07 0.00 2.86 -1.80 -1.79 114.93 115.75 2wc0 h MET 683 Ca 0.37 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.95 2wc0 h MET 683 Cb 0.59 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2wc0 h MET 683 CO -0.46 0.80 -0.18 -0.92 1.06 0.00 0.00 176.91 177.20 2wc0 h TYR 684 N 1.25 -0.48 -0.75 -0.22 3.20 -1.63 -1.41 116.97 116.92 2wc0 h TYR 684 Ca 0.34 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 2wc0 h TYR 684 Cb -0.13 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2wc0 h TYR 684 CO -0.01 -0.27 0.37 1.88 -1.64 0.00 0.00 178.16 178.50 2wc0 h TYR 685 N -0.34 1.06 -0.67 -3.82 0.05 -1.15 -0.28 116.97 111.82 2wc0 h TYR 685 Ca 0.03 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2wc0 h TYR 685 Cb 0.37 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 2wc0 h TYR 685 CO -0.20 0.76 0.25 1.25 -1.05 0.00 0.00 178.16 179.17 2wc0 h LEU 686 N 1.06 0.91 0.03 3.88 5.85 -1.19 0.95 115.31 126.80 2wc0 h LEU 686 Ca 0.26 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wc0 h LEU 686 Cb 0.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2wc0 h LEU 686 CO -0.04 0.82 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.79 2wc0 h ARG 687 N 0.97 -0.03 -0.74 1.25 2.43 -0.29 -0.18 114.38 117.78 2wc0 h ARG 687 Ca 0.22 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 2wc0 h ARG 687 Cb 0.21 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 2wc0 h ARG 687 CO -0.02 0.15 0.39 -0.07 -1.51 0.00 0.00 179.97 178.91 2wc0 h LEU 688 N -0.21 0.54 -1.75 3.80 3.38 -1.00 -2.70 115.31 117.37 2wc0 h LEU 688 Ca -0.00 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2wc0 h LEU 688 Cb 0.20 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wc0 h LEU 688 CO 0.01 0.32 -0.16 -0.07 0.09 0.00 0.00 178.44 178.63 2wc0 h LEU 689 N 0.67 0.00 0.00 1.67 3.38 0.06 -3.32 115.31 117.77 2wc0 h LEU 689 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2wc0 h LEU 689 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wc0 h LEU 689 CO -0.25 0.16 -1.94 0.23 0.09 0.00 0.00 178.44 176.73 2wc0 n MET 690 N -3.71 0.63 -3.46 1.13 2.81 -0.16 -4.81 117.12 109.55 2wc0 n MET 690 Ca -0.02 -0.17 -0.38 0.00 -1.81 0.00 0.00 57.70 55.32 2wc0 n MET 690 Cb 0.27 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 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 -3.33 5.00 0.18 2.03 2.01 -1.04 -1.43 115.64 119.05 2wc0 s THR 691 Ca -0.07 0.90 -0.20 0.00 0.31 0.00 0.00 61.69 62.62 2wc0 s THR 691 Cb 0.12 -3.74 0.11 0.00 0.01 0.00 0.00 72.50 69.00 2wc0 s THR 691 CO 0.83 0.56 1.60 -0.08 -0.69 0.00 0.00 174.62 176.84 2wc0 h GLU 692 N 4.83 -0.17 -4.57 4.92 4.81 -1.17 -3.40 114.58 119.83 2wc0 h GLU 692 Ca -0.51 0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.19 2wc0 h GLU 692 Cb 1.22 0.04 -0.35 0.00 0.63 0.00 0.00 28.75 30.29 2wc0 h GLU 692 CO 0.63 -0.11 -0.82 0.08 -0.73 0.00 0.00 179.01 178.06 2wc0 s VAL 693 N -6.04 1.28 -0.29 0.32 1.01 -1.26 -5.04 120.40 110.39 2wc0 s VAL 693 Ca -0.14 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2wc0 s VAL 693 Cb 0.15 -1.19 0.12 0.00 0.00 0.00 0.00 36.38 35.46 2wc0 s VAL 693 CO 0.69 0.40 0.80 0.00 0.00 0.00 0.00 175.10 176.99 2wc0 s ALA 694 N 1.04 -2.11 0.04 5.51 0.00 -1.26 -5.10 121.76 119.88 2wc0 s ALA 694 Ca -0.07 2.31 -0.23 0.00 0.00 0.00 0.00 51.96 53.98 2wc0 s ALA 694 Cb -0.15 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 2wc0 s ALA 694 CO -0.01 -0.53 0.68 -1.58 0.00 0.00 0.00 175.76 174.32 2wc0 s TRP 695 N 1.86 3.74 0.87 0.00 0.23 -1.26 -5.02 118.94 119.35 2wc0 s TRP 695 Ca -0.08 1.36 -0.11 0.00 -2.03 0.00 0.00 56.10 55.24 2wc0 s TRP 695 Cb -0.06 -2.70 0.11 0.00 0.03 0.00 0.00 33.47 30.86 2wc0 s TRP 695 CO -0.18 0.36 1.11 0.95 0.96 0.00 0.00 176.95 180.15 2wc0 s THR 696 N -0.33 2.70 0.38 2.01 -4.23 -1.26 -4.88 115.64 110.03 2wc0 s THR 696 Ca 0.34 0.23 0.07 0.00 -1.18 0.00 0.00 61.69 61.14 2wc0 s THR 696 Cb -0.20 -2.53 0.20 0.00 1.34 0.00 0.00 72.50 71.32 2wc0 s THR 696 CO 0.21 -0.30 1.96 0.11 -0.54 0.00 0.00 174.62 176.06 2wc0 h LYS 697 N -1.55 0.46 -0.19 3.99 1.79 -1.97 -1.88 116.57 117.23 2wc0 h LYS 697 Ca -0.46 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 57.91 2wc0 h LYS 697 Cb 1.26 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2wc0 h LYS 697 CO 0.49 0.43 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.84 2wc0 h ASP 698 N 0.46 0.33 -0.83 0.86 3.32 -1.95 -1.07 116.42 117.53 2wc0 h ASP 698 Ca 0.11 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2wc0 h ASP 698 Cb 0.18 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2wc0 h ASP 698 CO -0.00 0.57 0.51 -0.33 -1.72 0.00 0.00 179.24 178.27 2wc0 h GLU 699 N 0.08 1.12 -0.30 3.56 5.08 -1.83 -1.66 114.58 120.64 2wc0 h GLU 699 Ca 0.05 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2wc0 h GLU 699 Cb 0.40 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2wc0 h GLU 699 CO 0.01 0.78 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.53 2wc0 h LEU 700 N 1.14 0.54 -0.11 1.33 3.38 -1.14 -1.23 115.31 119.22 2wc0 h LEU 700 Ca 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wc0 h LEU 700 Cb -0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2wc0 h LEU 700 CO -0.06 0.75 -0.03 0.50 0.09 0.00 0.00 178.44 179.69 2wc0 h LYS 701 N 0.49 0.21 0.07 1.13 3.64 -0.79 -1.43 116.57 119.89 2wc0 h LYS 701 Ca 0.08 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2wc0 h LYS 701 Cb 0.61 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 2wc0 h LYS 701 CO 0.04 0.52 -0.51 0.93 -2.27 0.00 0.00 179.45 178.17 2wc0 h GLU 702 N -0.12 -0.67 -0.15 1.90 5.08 -1.18 -2.45 114.58 116.98 2wc0 h GLU 702 Ca 0.03 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2wc0 h GLU 702 Cb 0.45 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2wc0 h GLU 702 CO 0.01 -0.45 0.16 0.00 -1.00 0.00 0.00 179.01 177.73 2wc0 h ALA 703 N -0.39 1.82 -0.05 3.43 0.00 -1.10 -2.74 119.26 120.24 2wc0 h ALA 703 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wc0 h ALA 703 Cb 0.73 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wc0 h ALA 703 CO -0.31 -0.24 0.18 1.25 0.00 0.00 0.00 179.25 180.13 2wc0 h LEU 704 N 0.00 0.00 -0.04 0.00 5.85 -0.75 -2.35 115.31 118.02 2wc0 h LEU 704 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2wc0 h LEU 704 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2wc0 h LEU 704 CO -0.00 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 178.54 2wc0 h ASP 705 N 0.00 0.00 -0.01 1.25 5.19 -1.62 -3.05 116.42 118.18 2wc0 h ASP 705 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2wc0 h ASP 705 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2wc0 h ASP 705 CO -0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.59 2wc0 n ASP 706 N -3.10 0.20 -4.52 6.45 9.92 -0.88 -4.73 116.55 119.89 2wc0 n ASP 706 Ca 0.04 -1.18 -0.43 0.00 -0.53 0.00 0.00 54.79 52.69 2wc0 n ASP 706 Cb 0.52 -0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.96 2wc0 n ASP 706 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wc0 s VAL 707 N -1.99 4.45 0.31 2.53 1.01 -1.15 -4.94 120.40 120.61 2wc0 s VAL 707 Ca 0.41 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.76 2wc0 s VAL 707 Cb 0.19 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2wc0 s VAL 707 CO 0.32 -1.04 0.06 0.42 0.00 0.00 0.00 175.10 174.86 2wc0 s THR 708 N 3.79 3.08 0.16 3.92 -4.23 -1.26 -4.98 115.64 116.12 2wc0 s THR 708 Ca 0.30 -1.84 -0.24 0.00 -1.18 0.00 0.00 61.69 58.73 2wc0 s THR 708 Cb -0.13 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.86 2wc0 s THR 708 CO 0.20 -0.26 1.60 0.25 -0.54 0.00 0.00 174.62 175.87 2wc0 h LEU 709 N 1.74 -1.03 -0.50 4.79 5.85 -2.00 -0.81 115.31 123.35 2wc0 h LEU 709 Ca -0.44 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.56 2wc0 h LEU 709 Cb 1.25 0.47 -0.10 0.00 0.37 0.00 0.00 40.66 42.65 2wc0 h LEU 709 CO 0.63 -0.33 -0.15 -0.65 -0.34 0.00 0.00 178.44 177.60 2wc0 h PRO 710 N -0.29 -0.03 -0.39 5.25 0.11 -2.00 -1.52 132.00 133.13 2wc0 h PRO 710 Ca 0.15 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.32 2wc0 h PRO 710 Cb 0.53 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 2wc0 h PRO 710 CO -0.47 -0.02 0.09 0.00 -0.21 0.00 0.00 178.00 177.38 2wc0 h ARG 711 N -0.03 0.21 0.40 1.05 -0.00 -1.79 -2.31 114.38 111.91 2wc0 h ARG 711 Ca 0.24 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.70 2wc0 h ARG 711 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.30 2wc0 h ARG 711 CO -0.53 0.14 -0.44 -0.07 0.00 0.00 0.00 179.97 179.07 2wc0 h LEU 712 N 0.22 -1.21 -1.08 3.04 3.38 -0.53 -1.88 115.31 117.25 2wc0 h LEU 712 Ca 0.19 0.10 0.31 0.00 0.09 0.00 0.00 57.88 58.57 2wc0 h LEU 712 Cb 0.22 0.41 -0.14 0.00 0.09 0.00 0.00 40.66 41.24 2wc0 h LEU 712 CO -0.24 -0.58 0.61 0.11 0.09 0.00 0.00 178.44 178.43 2wc0 h LYS 713 N -0.86 0.36 -0.37 1.13 1.57 -1.22 0.24 116.57 117.41 2wc0 h LYS 713 Ca -0.04 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 2wc0 h LYS 713 Cb 0.77 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2wc0 h LYS 713 CO -0.09 0.24 -0.34 0.00 -0.57 0.00 0.00 179.45 178.69 2wc0 h ALA 714 N 1.78 0.70 -0.64 3.86 0.00 -1.17 -3.29 119.26 120.49 2wc0 h ALA 714 Ca 0.71 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2wc0 h ALA 714 Cb 1.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2wc0 h ALA 714 CO -0.53 0.66 0.24 0.35 0.00 0.00 0.00 179.25 179.97 2wc0 h PHE 715 N 0.70 1.00 -0.08 0.00 3.57 0.30 -3.20 116.94 119.23 2wc0 h PHE 715 Ca 0.07 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2wc0 h PHE 715 Cb 0.90 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2wc0 h PHE 715 CO 0.05 0.80 -0.09 0.82 -2.23 0.00 0.00 178.31 177.66 2wc0 h ILE 716 N 0.91 0.74 0.00 1.41 2.04 -1.56 0.35 117.51 121.41 2wc0 h ILE 716 Ca 0.21 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 2wc0 h ILE 716 Cb 0.24 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2wc0 h ILE 716 CO -0.01 0.00 -0.26 -0.65 0.00 0.00 0.00 178.15 177.22 2wc0 h PRO 717 N -0.12 0.00 0.17 2.37 0.11 -1.75 -1.12 132.00 131.67 2wc0 h PRO 717 Ca 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2wc0 h PRO 717 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2wc0 h PRO 717 CO -0.16 0.26 -0.08 0.37 -0.21 0.00 0.00 178.00 178.19 2wc0 h GLN 718 N 0.00 -0.22 -0.89 1.05 5.75 -1.05 -2.41 115.11 117.35 2wc0 h GLN 718 Ca -0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2wc0 h GLN 718 Cb 0.48 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 2wc0 h GLN 718 CO 0.03 -0.04 0.51 1.25 -2.65 0.00 0.00 178.83 177.94 2wc0 h LEU 719 N -0.36 1.08 0.00 -2.39 5.85 0.21 -2.62 115.31 117.09 2wc0 h LEU 719 Ca -0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2wc0 h LEU 719 Cb 0.28 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wc0 h LEU 719 CO 0.04 0.85 0.00 0.18 -0.34 0.00 0.00 178.44 179.17 2wc0 n LEU 720 N -4.38 0.00 0.10 2.25 4.77 -0.48 -4.24 117.00 115.02 2wc0 n LEU 720 Ca 0.09 0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 56.26 2wc0 n LEU 720 Cb 0.07 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 2wc0 n LEU 720 CO 0.38 -0.02 -0.19 0.77 -1.33 0.00 0.00 177.39 177.01 2wc0 h SER 721 N 0.00 0.50 -3.22 -1.43 4.64 -1.03 -3.37 113.55 109.64 2wc0 h SER 721 Ca 0.00 -0.58 -0.61 0.00 -0.47 0.00 0.00 61.79 60.12 2wc0 h SER 721 Cb 0.35 -0.16 -0.35 0.00 -0.31 0.00 0.00 62.40 61.93 2wc0 h SER 721 CO 0.00 1.46 -0.84 -0.13 -0.87 0.00 0.00 176.83 176.45 2wc0 s ARG 722 N -2.63 2.47 0.07 4.77 0.52 -1.26 0.78 118.95 123.67 2wc0 s ARG 722 Ca -0.07 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2wc0 s ARG 722 Cb 0.06 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2wc0 s ARG 722 CO 0.89 -0.08 -0.05 -0.51 0.02 0.00 0.00 175.30 175.56 2wc0 s LEU 723 N 1.03 2.45 0.21 2.53 1.43 -1.04 -4.66 118.68 120.63 2wc0 s LEU 723 Ca -0.04 -0.91 0.11 0.00 -1.03 0.00 0.00 54.13 52.25 2wc0 s LEU 723 Cb -0.15 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 2wc0 s LEU 723 CO -0.04 -0.46 -0.18 -2.28 0.23 0.00 0.00 176.35 173.63 2wc0 s HIS 724 N -3.27 2.42 -0.05 0.29 5.65 -1.09 -2.98 115.29 116.25 2wc0 s HIS 724 Ca 0.06 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.07 2wc0 s HIS 724 Cb 0.03 -1.15 0.02 0.00 -1.18 0.00 0.00 32.58 30.30 2wc0 s HIS 724 CO -0.05 0.56 -0.06 0.42 -0.65 0.00 0.00 174.74 174.95 2wc0 s ILE 725 N -1.90 0.67 -0.12 0.89 1.01 -0.47 -1.51 121.20 119.76 2wc0 s ILE 725 Ca 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2wc0 s ILE 725 Cb -0.07 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2wc0 s ILE 725 CO 0.13 0.26 -0.18 -0.70 0.00 0.00 0.00 174.94 174.44 2wc0 s GLU 726 N 0.94 2.58 0.06 2.79 2.12 -0.43 -0.01 118.70 126.76 2wc0 s GLU 726 Ca -0.10 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.61 2wc0 s GLU 726 Cb -0.14 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 2wc0 s GLU 726 CO 0.00 -0.04 -0.22 0.00 -0.54 0.00 0.00 175.26 174.47 2wc0 s ALA 727 N 0.90 1.84 -0.25 6.30 0.00 -0.58 -0.20 121.76 129.78 2wc0 s ALA 727 Ca -0.07 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 2wc0 s ALA 727 Cb -0.15 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2wc0 s ALA 727 CO -0.02 0.40 -0.08 -1.17 0.00 0.00 0.00 175.76 174.90 2wc0 s LEU 728 N -1.43 3.16 -0.19 0.00 0.20 -0.07 -0.21 118.68 120.15 2wc0 s LEU 728 Ca 0.08 -0.97 -0.03 0.00 0.69 0.00 0.00 54.13 53.89 2wc0 s LEU 728 Cb -0.09 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2wc0 s LEU 728 CO 0.03 -0.13 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.14 2wc0 s LEU 729 N 1.27 3.02 -0.20 -0.68 1.43 0.03 -1.22 118.68 122.33 2wc0 s LEU 729 Ca -0.01 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2wc0 s LEU 729 Cb -0.17 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.38 2wc0 s LEU 729 CO -0.05 0.07 0.46 -2.28 0.23 0.00 0.00 176.35 174.78 2wc0 s HIS 730 N 0.92 -0.76 -5.00 0.29 2.46 -0.10 -1.57 115.29 111.53 2wc0 s HIS 730 Ca -0.00 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.05 2wc0 s HIS 730 Cb -0.15 0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 2wc0 s HIS 730 CO 0.01 -0.43 0.00 0.41 -2.47 0.00 0.00 174.74 172.26 2wc0 n GLY 731 N 4.71 0.72 2.83 1.59 0.00 -0.93 -0.51 105.19 113.60 2wc0 n GLY 731 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2wc0 n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wc0 n ASN 732 N 0.00 4.28 -3.77 1.61 5.15 -0.12 -0.58 115.26 121.83 2wc0 n ASN 732 Ca 0.00 -2.92 -0.12 0.00 -0.60 0.00 0.00 54.58 50.94 2wc0 n ASN 732 Cb 0.00 -1.62 -0.08 0.00 -0.53 0.00 0.00 39.78 37.56 2wc0 n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2wc0 s ILE 733 N 2.48 0.08 0.44 -1.44 -4.36 -1.26 -4.87 121.20 112.28 2wc0 s ILE 733 Ca 0.45 -0.68 -0.07 0.00 -0.26 0.00 0.00 60.65 60.09 2wc0 s ILE 733 Cb 0.12 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.91 2wc0 s ILE 733 CO -0.05 -0.37 0.77 0.42 0.24 0.00 0.00 174.94 175.94 2wc0 s THR 734 N -2.33 4.87 0.23 8.37 -4.23 -1.26 -4.36 115.64 116.93 2wc0 s THR 734 Ca -0.07 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.71 2wc0 s THR 734 Cb -0.02 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.27 2wc0 s THR 734 CO -0.02 -0.70 1.64 0.50 -0.54 0.00 0.00 174.62 175.50 2wc0 h LYS 735 N 0.70 0.09 -0.69 3.99 3.64 -1.98 0.20 116.57 122.52 2wc0 h LYS 735 Ca -0.47 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2wc0 h LYS 735 Cb 1.20 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2wc0 h LYS 735 CO 0.63 0.06 0.41 1.96 -2.27 0.00 0.00 179.45 180.24 2wc0 h GLN 736 N 0.09 0.94 -0.38 1.90 4.20 -1.99 0.12 115.11 119.98 2wc0 h GLN 736 Ca 0.38 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 2wc0 h GLN 736 Cb 0.65 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2wc0 h GLN 736 CO -0.64 0.67 -0.00 0.00 -0.67 0.00 0.00 178.83 178.18 2wc0 h ALA 737 N 1.21 1.28 0.19 3.87 0.00 -1.73 -0.81 119.26 123.27 2wc0 h ALA 737 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wc0 h ALA 737 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wc0 h ALA 737 CO -0.05 0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.60 2wc0 h ALA 738 N 1.43 -0.25 -0.98 0.00 0.00 0.15 0.23 119.26 119.84 2wc0 h ALA 738 Ca 0.12 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 55.09 2wc0 h ALA 738 Cb 0.37 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 2wc0 h ALA 738 CO 0.01 -0.33 0.53 -0.07 0.00 0.00 0.00 179.25 179.39 2wc0 h LEU 739 N -0.86 0.51 -0.24 0.00 3.38 -0.82 0.32 115.31 117.61 2wc0 h LEU 739 Ca -0.03 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2wc0 h LEU 739 Cb 0.52 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2wc0 h LEU 739 CO 0.04 -0.04 -0.23 1.23 0.09 0.00 0.00 178.44 179.53 2wc0 h GLY 740 N 0.41 0.62 1.11 0.83 0.00 -0.81 -0.61 103.07 104.62 2wc0 h GLY 740 Ca 0.67 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2wc0 h GLY 740 CO -0.56 0.57 0.31 -2.22 0.00 0.00 0.00 176.54 174.65 2wc0 h ILE 741 N 0.27 1.25 -0.52 2.60 2.04 0.55 -0.30 117.51 123.41 2wc0 h ILE 741 Ca 0.04 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2wc0 h ILE 741 Cb 0.79 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2wc0 h ILE 741 CO 0.06 0.32 0.24 -0.03 0.00 0.00 0.00 178.15 178.74 2wc0 h MET 742 N 1.11 0.76 0.00 2.37 4.05 -0.84 -2.36 114.93 120.02 2wc0 h MET 742 Ca 0.26 -0.12 -0.20 0.00 -0.28 0.00 0.00 59.70 59.36 2wc0 h MET 742 Cb 0.20 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2wc0 h MET 742 CO -0.02 0.65 -0.88 0.37 0.23 0.00 0.00 176.91 177.25 2wc0 h GLN 743 N 0.70 0.22 -0.51 0.39 5.75 -0.80 -2.14 115.11 118.72 2wc0 h GLN 743 Ca 0.18 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2wc0 h GLN 743 Cb 0.14 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2wc0 h GLN 743 CO -0.02 0.97 0.34 1.98 -2.65 0.00 0.00 178.83 179.45 2wc0 h MET 744 N 0.12 0.66 0.42 1.69 4.05 -0.89 0.10 114.93 121.09 2wc0 h MET 744 Ca -0.05 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 2wc0 h MET 744 Cb 1.51 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 2wc0 h MET 744 CO 0.14 0.44 -0.20 0.28 0.23 0.00 0.00 176.91 177.80 2wc0 h VAL 745 N 0.68 0.53 -0.82 -5.77 2.07 -0.87 0.83 116.25 112.91 2wc0 h VAL 745 Ca 0.19 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2wc0 h VAL 745 Cb -0.06 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 2wc0 h VAL 745 CO -0.04 0.07 -0.54 -0.33 0.02 0.00 0.00 177.57 176.75 2wc0 h GLU 746 N -0.83 -0.11 -0.69 1.57 5.08 -1.16 -1.55 114.58 116.89 2wc0 h GLU 746 Ca -0.06 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2wc0 h GLU 746 Cb 0.55 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2wc0 h GLU 746 CO 0.09 -0.07 0.29 -0.44 -1.00 0.00 0.00 179.01 177.88 2wc0 h ASP 747 N -0.12 0.92 -0.85 1.42 3.45 -0.78 0.16 116.42 120.62 2wc0 h ASP 747 Ca 0.16 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.47 2wc0 h ASP 747 Cb 0.49 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 2wc0 h ASP 747 CO -0.84 0.81 0.41 0.74 -1.57 0.00 0.00 179.24 178.79 2wc0 h THR 748 N 0.99 1.26 0.12 0.35 2.02 -0.18 -0.91 112.91 116.55 2wc0 h THR 748 Ca 0.23 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2wc0 h THR 748 Cb 0.17 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2wc0 h THR 748 CO -0.02 0.31 -0.06 -0.07 0.37 0.00 0.00 175.52 176.05 2wc0 h LEU 749 N 1.22 -0.13 -0.52 2.58 3.38 -0.05 -2.58 115.31 119.20 2wc0 h LEU 749 Ca 0.29 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2wc0 h LEU 749 Cb 0.11 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 2wc0 h LEU 749 CO -0.04 0.27 -0.31 0.40 0.09 0.00 0.00 178.44 178.85 2wc0 h ILE 750 N -0.56 0.21 -0.86 1.22 2.04 -1.12 0.39 117.51 118.83 2wc0 h ILE 750 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2wc0 h ILE 750 Cb 0.45 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2wc0 h ILE 750 CO 0.03 0.00 0.56 -0.08 0.00 0.00 0.00 178.15 178.66 2wc0 h GLU 751 N -0.18 0.93 0.00 2.37 4.81 -1.05 -1.19 114.58 120.26 2wc0 h GLU 751 Ca 0.22 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2wc0 h GLU 751 Cb 0.54 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2wc0 h GLU 751 CO -0.62 0.62 -0.92 0.72 -0.73 0.00 0.00 179.01 178.08 2wc0 n HIS 752 N -4.49 0.00 -0.66 0.92 8.25 -0.98 -4.56 115.22 113.69 2wc0 n HIS 752 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2wc0 n HIS 752 Cb 0.21 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.51 1.14 -2.43 -1.41 0.00 0.13 -4.81 120.51 111.63 2wc0 n ALA 753 Ca -0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 2wc0 n ALA 753 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.10 -1.28 -1.68 0.00 -0.00 -0.45 -4.53 115.22 107.18 2wc0 n HIS 754 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 2wc0 n HIS 754 Cb 0.32 -3.16 -0.02 0.00 -0.00 0.00 0.00 29.99 27.13 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 -3.59 1.54 -4.42 1.59 -1.04 -1.24 -4.90 114.28 102.21 2wc0 n THR 755 Ca -0.18 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.05 61.23 2wc0 n THR 755 Cb 0.64 -1.49 -0.10 0.00 -1.82 0.00 0.00 70.33 67.55 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 -1.22 1.53 0.85 -2.82 1.02 0.23 -4.67 119.74 114.67 2wc0 s LYS 756 Ca 0.61 -1.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.73 2wc0 s LYS 756 Cb -0.61 -1.27 0.10 0.00 -0.52 0.00 0.00 37.83 35.54 2wc0 s LYS 756 CO 0.57 0.12 1.16 -2.30 -0.92 0.00 0.00 175.35 173.97 2wc0 n PRO 757 N -0.55 -0.06 -3.33 -1.68 -0.02 -1.26 -2.51 135.00 125.59 2wc0 n PRO 757 Ca -0.06 0.06 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 2wc0 n PRO 757 Cb 0.62 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 2wc0 n PRO 757 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wc0 s LEU 758 N -5.83 4.00 0.20 2.45 2.96 -1.16 -4.64 118.68 116.67 2wc0 s LEU 758 Ca 0.71 0.54 -0.23 0.00 -0.22 0.00 0.00 54.13 54.92 2wc0 s LEU 758 Cb -0.27 -3.39 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 2wc0 s LEU 758 CO 0.54 -0.28 0.78 -0.76 -1.32 0.00 0.00 176.35 175.30 2wc0 s LEU 759 N -4.15 4.48 0.29 -0.68 2.01 -1.26 -4.93 118.68 114.44 2wc0 s LEU 759 Ca 0.41 1.59 -0.01 0.00 0.01 0.00 0.00 54.13 56.14 2wc0 s LEU 759 Cb -0.10 -3.48 0.64 0.00 0.01 0.00 0.00 46.19 43.26 2wc0 s LEU 759 CO 0.35 0.12 1.49 -2.65 1.01 0.00 0.00 176.35 176.67 2wc0 n PRO 760 N 1.17 -0.08 -0.16 1.29 -0.02 -1.26 0.48 135.00 136.42 2wc0 n PRO 760 Ca -0.04 1.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.89 2wc0 n PRO 760 Cb 0.50 -2.26 0.26 0.00 -0.02 0.00 0.00 33.50 31.98 2wc0 n PRO 760 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wc0 h SER 761 N 0.00 0.78 0.00 2.55 4.64 -2.05 -2.57 113.55 116.90 2wc0 h SER 761 Ca 0.54 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2wc0 h SER 761 Cb 1.05 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2wc0 h SER 761 CO -0.92 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 175.65 2wc0 n GLN 762 N -4.39 0.61 -1.21 4.77 6.02 0.18 -3.32 117.38 120.03 2wc0 n GLN 762 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.80 2wc0 n GLN 762 Cb 0.08 -1.22 0.03 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.72 6.90 -4.52 1.08 4.77 -0.97 -4.77 117.00 118.77 2wc0 n LEU 763 Ca 0.06 -3.84 -0.50 0.00 -0.03 0.00 0.00 56.01 51.70 2wc0 n LEU 763 Cb 0.03 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.00 2wc0 n LEU 763 CO 0.05 1.43 0.47 1.33 -1.33 0.00 0.00 177.39 179.35 2wc0 n VAL 764 N 0.04 1.16 -3.97 4.08 0.24 -1.21 -5.05 118.33 113.62 2wc0 n VAL 764 Ca 0.44 -0.29 -0.24 0.00 -2.04 0.00 0.00 64.34 62.21 2wc0 n VAL 764 Cb 0.57 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.44 2wc0 n VAL 764 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wc0 s ARG 765 N -0.61 3.39 0.42 7.34 6.06 -1.26 -5.08 118.95 129.20 2wc0 s ARG 765 Ca 0.72 -0.68 -0.02 0.00 -2.50 0.00 0.00 55.73 53.25 2wc0 s ARG 765 Cb -0.93 -2.91 -0.03 0.00 0.06 0.00 0.00 34.95 31.14 2wc0 s ARG 765 CO 0.55 0.49 0.66 0.71 -2.50 0.00 0.00 175.30 175.21 2wc0 s TYR 766 N -1.83 3.47 0.43 5.12 4.12 -1.26 -5.08 117.35 122.32 2wc0 s TYR 766 Ca 0.34 0.50 0.07 0.00 0.02 0.00 0.00 57.07 58.00 2wc0 s TYR 766 Cb -0.10 -2.13 -0.03 0.00 -1.52 0.00 0.00 41.96 38.18 2wc0 s TYR 766 CO 0.28 -0.12 0.29 1.03 0.02 0.00 0.00 175.55 177.05 2wc0 s ARG 767 N -4.52 2.35 -0.08 -0.62 0.52 -1.26 -4.83 118.95 110.50 2wc0 s ARG 767 Ca 0.44 -1.75 -0.01 0.00 -0.52 0.00 0.00 55.73 53.89 2wc0 s ARG 767 Cb -0.10 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 2wc0 s ARG 767 CO 0.40 -0.22 -0.03 -2.00 0.02 0.00 0.00 175.30 173.47 2wc0 s GLU 768 N -4.05 2.91 0.23 3.54 2.12 -1.26 -0.56 118.70 121.63 2wc0 s GLU 768 Ca 0.43 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2wc0 s GLU 768 Cb 0.00 -2.71 -0.15 0.00 0.26 0.00 0.00 34.13 31.53 2wc0 s GLU 768 CO 0.24 0.67 0.96 0.28 -0.54 0.00 0.00 175.26 176.87 2wc0 n VAL 769 N 2.21 1.63 -3.72 3.70 0.31 -0.51 -1.08 118.33 120.87 2wc0 n VAL 769 Ca -0.18 -0.41 -0.38 0.00 -0.01 0.00 0.00 64.34 63.36 2wc0 n VAL 769 Cb 0.53 -0.73 -0.12 0.00 -0.91 0.00 0.00 33.84 32.61 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 -1.07 2.82 0.36 5.55 0.74 -0.02 -4.72 119.66 123.32 2wc0 s GLN 770 Ca 0.65 -1.05 -0.26 0.00 0.05 0.00 0.00 55.36 54.74 2wc0 s GLN 770 Cb -0.80 -3.50 -0.09 0.00 1.10 0.00 0.00 33.01 29.72 2wc0 s GLN 770 CO 0.57 -0.60 1.10 -0.51 -0.55 0.00 0.00 175.29 175.30 2wc0 s LEU 771 N 1.47 4.30 0.23 3.68 1.02 -1.26 -4.23 118.68 123.89 2wc0 s LEU 771 Ca 0.00 2.21 -0.30 0.00 0.02 0.00 0.00 54.13 56.07 2wc0 s LEU 771 Cb -0.19 -3.94 -0.09 0.00 0.02 0.00 0.00 46.19 41.99 2wc0 s LEU 771 CO 0.04 -0.42 1.23 -2.16 0.02 0.00 0.00 176.35 175.05 2wc0 s PRO 772 N -2.07 4.47 -0.04 1.29 0.04 -1.26 -4.95 135.00 132.49 2wc0 s PRO 772 Ca 0.53 1.96 -0.40 0.00 0.04 0.00 0.00 61.00 63.13 2wc0 s PRO 772 Cb -0.28 -3.19 -0.20 0.00 0.04 0.00 0.00 34.50 30.87 2wc0 s PRO 772 CO 0.35 -0.09 1.13 -0.25 0.04 0.00 0.00 177.00 178.18 2wc0 n ASP 773 N 2.02 0.19 0.00 6.66 10.43 -1.26 -1.49 116.55 133.09 2wc0 n ASP 773 Ca 0.03 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.55 2wc0 n ASP 773 Cb 0.44 -0.93 0.00 0.00 1.84 0.00 0.00 41.12 42.46 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 1.77 -0.03 -3.09 -1.24 1.74 -0.09 -4.95 116.66 110.78 2wc0 n ARG 774 Ca 0.21 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 57.11 2wc0 n ARG 774 Cb 0.08 -2.76 0.01 0.00 -1.02 0.00 0.00 32.46 28.77 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 -2.00 1.84 -0.10 -0.13 0.00 -0.56 -4.97 107.32 101.41 2wc0 s GLY 775 Ca 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 2wc0 s GLY 775 CO 0.00 -1.41 0.21 0.86 0.00 0.00 0.00 173.10 172.76 2wc0 s TRP 776 N -2.35 -0.29 0.05 1.90 -0.00 -1.26 -2.29 118.94 114.71 2wc0 s TRP 776 Ca 0.53 0.73 0.08 0.00 -0.00 0.00 0.00 56.10 57.44 2wc0 s TRP 776 Cb -0.10 -0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 33.27 2wc0 s TRP 776 CO 0.33 -0.26 -0.23 -0.06 -0.00 0.00 0.00 176.95 176.73 2wc0 s PHE 777 N 1.76 2.05 -0.02 5.86 0.40 -0.88 -1.30 117.98 125.85 2wc0 s PHE 777 Ca -0.04 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 2wc0 s PHE 777 Cb -0.11 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 2wc0 s PHE 777 CO -0.07 0.12 -0.25 0.08 0.70 0.00 0.00 175.22 175.79 2wc0 s VAL 778 N -0.83 2.01 -0.09 -0.44 1.01 -0.76 -1.10 120.40 120.21 2wc0 s VAL 778 Ca 0.10 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2wc0 s VAL 778 Cb -0.09 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.63 2wc0 s VAL 778 CO 0.02 0.57 -0.11 -0.47 0.00 0.00 0.00 175.10 175.11 2wc0 s TYR 779 N -0.55 1.54 -0.06 5.22 5.04 -0.15 0.15 117.35 128.54 2wc0 s TYR 779 Ca 0.08 -0.68 0.05 0.00 -2.44 0.00 0.00 57.07 54.09 2wc0 s TYR 779 Cb -0.10 -1.19 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 2wc0 s TYR 779 CO -0.00 -0.40 -0.23 -1.14 -1.34 0.00 0.00 175.55 172.43 2wc0 s GLN 780 N 1.13 2.64 0.28 4.97 0.74 -1.26 -1.10 119.66 127.05 2wc0 s GLN 780 Ca -0.05 -0.87 -0.00 0.00 0.05 0.00 0.00 55.36 54.48 2wc0 s GLN 780 Cb -0.14 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.72 2wc0 s GLN 780 CO -0.02 0.38 0.29 -0.65 -0.55 0.00 0.00 175.29 174.74 2wc0 s GLN 781 N -0.14 1.56 -0.09 1.67 -1.52 0.44 -4.96 119.66 116.62 2wc0 s GLN 781 Ca -0.04 -1.73 0.04 0.00 -1.95 0.00 0.00 55.36 51.68 2wc0 s GLN 781 Cb -0.14 0.35 -0.01 0.00 -0.22 0.00 0.00 33.01 32.99 2wc0 s GLN 781 CO 0.04 -0.58 -0.21 0.50 -0.25 0.00 0.00 175.29 174.78 2wc0 s ARG 782 N -3.69 2.91 -0.28 2.91 3.52 -1.26 -0.08 118.95 122.98 2wc0 s ARG 782 Ca 0.36 -0.84 -0.25 0.00 -0.13 0.00 0.00 55.73 54.87 2wc0 s ARG 782 Cb 0.03 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 2wc0 s ARG 782 CO 0.18 0.29 0.88 1.21 -0.81 0.00 0.00 175.30 177.05 2wc0 s ASN 783 N 0.10 6.82 0.32 -2.12 2.47 0.19 -4.88 114.94 117.84 2wc0 s ASN 783 Ca -0.10 0.95 0.17 0.00 0.42 0.00 0.00 52.86 54.30 2wc0 s ASN 783 Cb -0.16 -2.46 0.35 0.00 -1.45 0.00 0.00 41.25 37.54 2wc0 s ASN 783 CO 0.06 -0.63 1.58 1.05 -3.72 0.00 0.00 177.10 175.43 2wc0 h GLU 784 N 7.87 0.00 0.02 0.43 4.11 -1.88 -2.89 114.58 122.24 2wc0 h GLU 784 Ca -0.22 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.91 2wc0 h GLU 784 Cb 1.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2wc0 h GLU 784 CO 0.92 0.45 -1.63 0.28 0.07 0.00 0.00 179.01 179.09 2wc0 n VAL 785 N -3.35 1.57 -3.78 -1.06 0.31 -1.26 -4.76 118.33 106.00 2wc0 n VAL 785 Ca 0.01 -0.20 -0.26 0.00 -0.01 0.00 0.00 64.34 63.89 2wc0 n VAL 785 Cb 0.63 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 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 -2.42 3.48 -0.56 3.52 3.76 -1.26 -4.88 115.29 116.93 2wc0 s HIS 786 Ca -0.30 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 2wc0 s HIS 786 Cb 0.08 -1.76 0.43 0.00 1.11 0.00 0.00 32.58 32.44 2wc0 s HIS 786 CO 0.60 0.40 1.66 -1.71 -0.85 0.00 0.00 174.74 174.84 2wc0 n ASN 787 N -0.87 6.44 -4.38 1.40 5.15 -1.26 -0.96 115.26 120.78 2wc0 n ASN 787 Ca -0.06 -3.78 -0.25 0.00 -0.60 0.00 0.00 54.58 49.89 2wc0 n ASN 787 Cb 0.55 -0.73 -0.09 0.00 -0.53 0.00 0.00 39.78 38.97 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 -2.46 2.85 0.43 1.20 -0.87 -1.26 -4.78 114.94 110.05 2wc0 s ASN 788 Ca 0.56 -1.53 0.08 0.00 -1.57 0.00 0.00 52.86 50.40 2wc0 s ASN 788 Cb 0.45 0.20 -0.00 0.00 -0.02 0.00 0.00 41.25 41.88 2wc0 s ASN 788 CO -0.09 -0.75 0.46 -0.44 -2.57 0.00 0.00 177.10 173.71 2wc0 s SER 789 N -3.60 5.27 0.05 -1.22 0.01 0.11 -3.01 113.70 111.32 2wc0 s SER 789 Ca 0.28 -0.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 2wc0 s SER 789 Cb 0.06 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 2wc0 s SER 789 CO 0.14 -0.73 0.00 -0.83 0.41 0.00 0.00 173.24 172.23 2wc0 s GLY 790 N -4.24 0.40 -0.08 3.44 0.00 0.29 -1.60 107.32 105.53 2wc0 s GLY 790 Ca 0.51 -1.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.04 2wc0 s GLY 790 CO 0.30 -1.20 0.27 -1.50 0.00 0.00 0.00 173.10 170.96 2wc0 s ILE 791 N -3.78 0.01 -0.07 0.90 2.07 -0.67 0.08 121.20 119.74 2wc0 s ILE 791 Ca 0.06 -0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.22 2wc0 s ILE 791 Cb 0.07 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.24 2wc0 s ILE 791 CO -0.10 -0.06 -0.19 -0.70 -1.91 0.00 0.00 174.94 171.98 2wc0 s GLU 792 N -0.15 2.27 -0.13 3.50 2.12 -0.84 -2.17 118.70 123.30 2wc0 s GLU 792 Ca -0.03 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.64 2wc0 s GLU 792 Cb -0.03 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.55 2wc0 s GLU 792 CO 0.01 0.17 -0.17 0.42 -0.54 0.00 0.00 175.26 175.16 2wc0 s ILE 793 N 0.30 1.67 -0.17 -3.70 1.01 -0.75 -0.91 121.20 118.65 2wc0 s ILE 793 Ca -0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2wc0 s ILE 793 Cb -0.15 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.80 2wc0 s ILE 793 CO 0.05 0.48 -0.14 -0.47 0.00 0.00 0.00 174.94 174.85 2wc0 s TYR 794 N 1.09 2.81 -0.66 3.97 5.04 -0.07 -1.55 117.35 127.98 2wc0 s TYR 794 Ca -0.03 -1.14 -0.15 0.00 -2.44 0.00 0.00 57.07 53.30 2wc0 s TYR 794 Cb -0.14 -1.93 0.16 0.00 0.35 0.00 0.00 41.96 40.40 2wc0 s TYR 794 CO -0.05 -0.55 0.62 0.71 -1.34 0.00 0.00 175.55 174.95 2wc0 s TYR 795 N 1.02 3.43 0.25 4.97 1.51 0.92 -1.42 117.35 128.03 2wc0 s TYR 795 Ca -0.01 -1.54 -0.30 0.00 -1.01 0.00 0.00 57.07 54.21 2wc0 s TYR 795 Cb -0.15 -3.83 -0.09 0.00 -0.11 0.00 0.00 41.96 37.78 2wc0 s TYR 795 CO -0.03 -1.03 1.32 -1.14 -1.11 0.00 0.00 175.55 173.55 2wc0 s GLN 796 N 1.14 4.38 0.00 -0.62 0.74 0.11 -1.65 119.66 123.76 2wc0 s GLN 796 Ca 0.10 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.63 2wc0 s GLN 796 Cb -0.22 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.75 2wc0 s GLN 796 CO -0.02 -0.23 0.00 0.25 -0.55 0.00 0.00 175.29 174.75 2wc0 n THR 797 N 1.99 0.00 -3.15 -0.34 -2.24 0.02 -4.16 114.28 106.40 2wc0 n THR 797 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2wc0 n THR 797 Cb 0.42 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 2wc0 n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wc0 n ASP 798 N -0.38 0.00 -4.69 3.42 -0.08 -1.23 -4.98 116.55 108.61 2wc0 n ASP 798 Ca 0.00 -0.92 -0.30 0.00 -1.51 0.00 0.00 54.79 52.06 2wc0 n ASP 798 Cb 0.00 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.61 2wc0 n ASP 798 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2wc0 s MET 799 N -1.76 1.24 0.30 -0.67 -1.94 -1.26 -2.63 119.30 112.58 2wc0 s MET 799 Ca 0.00 1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 54.88 2wc0 s MET 799 Cb 0.00 -1.78 -0.10 0.00 2.01 0.00 0.00 34.83 34.96 2wc0 s MET 799 CO 0.00 -2.36 1.16 -0.65 -0.01 0.00 0.00 175.02 173.17 2wc0 s GLN 800 N -4.77 4.53 0.10 2.03 -0.21 0.06 -4.78 119.66 116.62 2wc0 s GLN 800 Ca 0.64 1.92 -0.27 0.00 0.02 0.00 0.00 55.36 57.68 2wc0 s GLN 800 Cb -0.20 -3.13 0.08 0.00 1.00 0.00 0.00 33.01 30.76 2wc0 s GLN 800 CO 0.58 0.07 1.01 -1.54 -2.12 0.00 0.00 175.29 173.30 2wc0 s SER 801 N -0.78 -0.18 0.20 5.90 1.04 -1.26 -4.96 113.70 113.65 2wc0 s SER 801 Ca 0.46 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 56.35 2wc0 s SER 801 Cb -0.34 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.29 2wc0 s SER 801 CO 0.44 -0.75 1.55 0.74 0.98 0.00 0.00 173.24 176.20 2wc0 h THR 802 N 2.00 0.01 -0.00 2.02 2.02 -1.99 0.30 112.91 117.26 2wc0 h THR 802 Ca -0.25 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 2wc0 h THR 802 Cb 1.23 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2wc0 h THR 802 CO 0.26 0.00 -0.35 0.77 0.37 0.00 0.00 175.52 176.57 2wc0 h SER 803 N -0.02 0.31 -0.95 4.18 4.64 -1.98 -2.54 113.55 117.20 2wc0 h SER 803 Ca 0.26 -0.77 0.15 0.00 -0.47 0.00 0.00 61.79 60.95 2wc0 h SER 803 Cb 0.51 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 62.41 2wc0 h SER 803 CO -0.95 1.05 0.56 -0.08 -0.87 0.00 0.00 176.83 176.53 2wc0 h GLU 804 N -0.39 0.77 0.31 4.77 4.57 -1.73 -0.72 114.58 122.15 2wc0 h GLU 804 Ca -0.04 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2wc0 h GLU 804 Cb 1.10 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 2wc0 h GLU 804 CO 0.07 0.51 -0.15 -0.91 -1.18 0.00 0.00 179.01 177.35 2wc0 h ASN 805 N 0.79 -0.35 0.49 1.04 -0.26 -0.38 -2.74 115.58 114.17 2wc0 h ASN 805 Ca 0.51 -0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 56.13 2wc0 h ASN 805 Cb 0.68 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.02 2wc0 h ASN 805 CO -0.34 -0.15 -0.29 0.24 -1.06 0.00 0.00 177.43 175.84 2wc0 h MET 806 N -0.53 0.00 -0.38 0.81 2.86 -1.22 0.33 114.93 116.80 2wc0 h MET 806 Ca -0.04 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2wc0 h MET 806 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2wc0 h MET 806 CO 0.07 0.29 -0.15 0.74 1.06 0.00 0.00 176.91 178.92 2wc0 h PHE 807 N 0.00 0.87 -0.01 -0.22 0.04 -1.04 -1.79 116.94 114.80 2wc0 h PHE 807 Ca -0.00 -0.21 -0.13 0.00 2.80 0.00 0.00 57.97 60.43 2wc0 h PHE 807 Cb 0.61 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2wc0 h PHE 807 CO 0.00 0.93 -0.61 1.25 -0.60 0.00 0.00 178.31 179.28 2wc0 h LEU 808 N 0.56 0.03 0.07 1.54 5.85 -1.14 -2.55 115.31 119.67 2wc0 h LEU 808 Ca 0.09 -0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.51 2wc0 h LEU 808 Cb 0.68 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.73 2wc0 h LEU 808 CO 0.05 0.63 -1.20 -0.33 -0.34 0.00 0.00 178.44 177.24 2wc0 h GLU 809 N 0.02 0.52 -0.56 1.25 5.08 -0.73 -1.58 114.58 118.58 2wc0 h GLU 809 Ca -0.01 -0.70 -0.07 0.00 -1.00 0.00 0.00 59.36 57.57 2wc0 h GLU 809 Cb 1.08 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2wc0 h GLU 809 CO 0.08 1.31 0.06 1.25 -1.00 0.00 0.00 179.01 180.71 2wc0 h LEU 810 N 0.23 0.92 -1.04 1.33 6.46 -1.30 -0.67 115.31 121.24 2wc0 h LEU 810 Ca -0.16 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2wc0 h LEU 810 Cb 1.87 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 41.52 2wc0 h LEU 810 CO 0.22 0.97 0.51 0.15 -0.62 0.00 0.00 178.44 179.67 2wc0 h PHE 811 N 0.85 1.14 -0.38 1.25 3.04 -1.34 -1.34 116.94 120.14 2wc0 h PHE 811 Ca 0.17 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.99 2wc0 h PHE 811 Cb 0.46 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 2wc0 h PHE 811 CO 0.03 0.76 -0.25 0.00 -2.02 0.00 0.00 178.31 176.83 2wc0 h ALA 812 N 1.38 0.84 -0.38 2.41 0.00 -0.39 -2.10 119.26 121.02 2wc0 h ALA 812 Ca 0.31 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wc0 h ALA 812 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wc0 h ALA 812 CO -0.06 0.64 0.04 0.37 0.00 0.00 0.00 179.25 180.24 2wc0 h GLN 813 N 0.68 0.65 -0.19 0.00 5.75 -0.44 0.59 115.11 122.14 2wc0 h GLN 813 Ca 0.09 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 2wc0 h GLN 813 Cb 0.77 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 2wc0 h GLN 813 CO 0.06 0.72 -0.11 0.82 -2.65 0.00 0.00 178.83 177.67 2wc0 h ILE 814 N 0.48 1.19 -0.01 2.39 2.04 -1.09 -3.09 117.51 119.41 2wc0 h ILE 814 Ca 0.11 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2wc0 h ILE 814 Cb 0.40 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2wc0 h ILE 814 CO 0.01 0.26 -0.51 2.30 0.00 0.00 0.00 178.15 180.22 2wc0 n ILE 815 N -4.26 0.00 0.33 -0.67 -5.35 -0.80 -4.50 119.36 104.10 2wc0 n ILE 815 Ca -0.00 -0.21 -0.18 0.00 -0.27 0.00 0.00 62.75 62.09 2wc0 n ILE 815 Cb 0.27 1.08 -0.09 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.94 -1.18 0.42 7.28 0.87 -0.81 -0.41 113.55 121.66 2wc0 h SER 816 Ca 0.00 0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.42 2wc0 h SER 816 Cb 0.69 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2wc0 h SER 816 CO 0.00 -0.65 -0.97 1.05 -0.53 0.00 0.00 176.83 175.73 2wc0 h GLU 817 N -1.00 0.35 -0.88 2.24 -0.00 -1.82 -3.18 114.58 110.30 2wc0 h GLU 817 Ca -0.07 -0.41 0.21 0.00 -0.00 0.00 0.00 59.36 59.10 2wc0 h GLU 817 Cb 0.84 0.12 -0.06 0.00 -0.00 0.00 0.00 28.75 29.65 2wc0 h GLU 817 CO 0.01 1.10 0.60 -1.35 -0.00 0.00 0.00 179.01 179.36 2wc0 h PRO 818 N 0.19 0.30 -0.11 1.06 0.11 -1.77 0.34 132.00 132.12 2wc0 h PRO 818 Ca -0.08 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.90 2wc0 h PRO 818 Cb 1.62 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.67 2wc0 h PRO 818 CO 0.16 0.20 -0.37 0.00 -0.21 0.00 0.00 178.00 177.78 2wc0 h ALA 819 N 1.61 0.19 0.45 -0.75 0.00 -1.07 0.28 119.26 119.96 2wc0 h ALA 819 Ca 0.45 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wc0 h ALA 819 Cb 1.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2wc0 h ALA 819 CO -0.14 0.28 -0.36 0.35 0.00 0.00 0.00 179.25 179.38 2wc0 h PHE 820 N 0.02 -0.98 -0.74 0.00 3.57 -1.37 0.19 116.94 117.63 2wc0 h PHE 820 Ca -0.02 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2wc0 h PHE 820 Cb 1.00 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 40.04 2wc0 h PHE 820 CO 0.11 -0.53 0.36 -0.97 -2.23 0.00 0.00 178.31 175.06 2wc0 h ASN 821 N -0.81 0.45 0.04 0.41 -0.73 -0.19 -0.11 115.58 114.64 2wc0 h ASN 821 Ca -0.04 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 2wc0 h ASN 821 Cb 0.70 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.29 2wc0 h ASN 821 CO -0.01 0.24 -0.02 0.74 -0.37 0.00 0.00 177.43 178.01 2wc0 h THR 822 N 0.59 1.28 0.00 -3.57 2.02 -0.39 0.35 112.91 113.19 2wc0 h THR 822 Ca 0.38 -1.71 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 2wc0 h THR 822 Cb 0.44 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2wc0 h THR 822 CO -0.30 0.39 -0.43 -0.07 0.37 0.00 0.00 175.52 175.49 2wc0 h LEU 823 N -0.89 0.00 0.00 2.58 -0.00 -0.64 -0.16 115.31 116.20 2wc0 h LEU 823 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2wc0 h LEU 823 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2wc0 h LEU 823 CO 0.01 0.43 -0.68 -1.14 -0.00 0.00 0.00 178.44 177.06 2wc0 n ARG 824 N -3.35 0.36 -0.05 1.13 0.63 -0.09 -1.16 116.66 114.13 2wc0 n ARG 824 Ca 0.01 0.14 -0.14 0.00 -0.92 0.00 0.00 57.85 56.94 2wc0 n ARG 824 Cb 0.62 -1.12 -0.07 0.00 0.45 0.00 0.00 32.46 32.34 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 -0.68 1.36 0.00 5.15 2.02 -1.11 2.23 112.91 121.89 2wc0 h THR 825 Ca 0.00 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.66 2wc0 h THR 825 Cb 0.68 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2wc0 h THR 825 CO 0.00 0.45 -0.02 0.11 0.37 0.00 0.00 175.52 176.43 2wc0 h LYS 826 N 0.04 0.00 0.00 6.66 1.57 -0.41 -3.39 116.57 121.04 2wc0 h LYS 826 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wc0 h LYS 826 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2wc0 h LYS 826 CO 0.06 0.22 -0.30 0.93 -0.57 0.00 0.00 179.45 179.79 2wc0 h GLU 827 N -1.00 0.00 -6.31 3.15 5.08 -1.05 -3.48 114.58 110.97 2wc0 h GLU 827 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.90 2wc0 h GLU 827 Cb 0.24 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.53 2wc0 h GLU 827 CO -0.00 0.00 -0.92 1.04 -1.00 0.00 0.00 179.01 178.13 2wc0 n GLN 828 N -2.51 -1.98 0.19 2.33 1.13 0.75 -4.87 117.38 112.42 2wc0 n GLN 828 Ca 0.04 0.44 0.12 0.00 -1.94 0.00 0.00 57.00 55.66 2wc0 n GLN 828 Cb 0.48 -4.25 0.12 0.00 0.11 0.00 0.00 30.24 26.70 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 -1.90 0.00 -7.00 1.08 3.38 -1.31 -3.47 115.31 106.09 2wc0 h LEU 829 Ca -0.65 -0.00 0.37 0.00 0.09 0.00 0.00 57.88 57.69 2wc0 h LEU 829 Cb 1.37 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 2wc0 h LEU 829 CO 0.53 0.00 1.00 -0.83 0.09 0.00 0.00 178.44 179.22 2wc0 s GLY 830 N -4.25 -0.38 0.06 0.83 0.00 -1.26 -4.09 107.32 98.23 2wc0 s GLY 830 Ca 0.05 1.38 -0.23 0.00 0.00 0.00 0.00 44.72 45.91 2wc0 s GLY 830 CO 0.70 0.37 1.58 -1.82 0.00 0.00 0.00 173.10 173.94 2wc0 h TYR 831 N 2.00 0.04 -3.44 1.90 3.20 -1.82 -3.42 116.97 115.43 2wc0 h TYR 831 Ca -0.20 -0.00 -0.61 0.00 3.14 0.00 0.00 58.73 61.06 2wc0 h TYR 831 Cb 1.16 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.31 2wc0 h TYR 831 CO 0.29 0.20 0.30 0.42 -1.64 0.00 0.00 178.16 177.73 2wc0 s ILE 832 N -5.52 4.88 -0.21 1.81 1.01 -1.26 -4.98 121.20 116.92 2wc0 s ILE 832 Ca -0.14 1.16 -0.04 0.00 0.00 0.00 0.00 60.65 61.64 2wc0 s ILE 832 Cb 0.05 -4.06 0.11 0.00 0.01 0.00 0.00 42.46 38.57 2wc0 s ILE 832 CO 0.67 -0.13 0.29 -0.69 0.00 0.00 0.00 174.94 175.08 2wc0 s VAL 833 N 2.76 -0.45 0.06 2.92 1.01 -1.26 -2.44 120.40 123.00 2wc0 s VAL 833 Ca 0.30 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.27 2wc0 s VAL 833 Cb -0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2wc0 s VAL 833 CO 0.11 -0.14 -0.13 0.12 0.00 0.00 0.00 175.10 175.06 2wc0 s PHE 834 N 2.43 1.13 0.11 5.22 5.36 0.69 -4.85 117.98 128.07 2wc0 s PHE 834 Ca 0.08 -0.42 -0.08 0.00 -0.96 0.00 0.00 56.93 55.55 2wc0 s PHE 834 Cb -0.15 -0.65 -0.01 0.00 -0.34 0.00 0.00 43.02 41.87 2wc0 s PHE 834 CO -0.13 0.03 0.20 -1.54 -1.46 0.00 0.00 175.22 172.32 2wc0 s SER 835 N -1.49 0.12 0.00 6.13 1.04 -1.26 -1.21 113.70 117.03 2wc0 s SER 835 Ca -0.02 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2wc0 s SER 835 Cb -0.09 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2wc0 s SER 835 CO 0.02 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2wc0 n GLY 836 N -0.10 0.20 3.76 7.32 0.00 -0.76 -4.99 105.19 110.63 2wc0 n GLY 836 Ca -0.13 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 2wc0 n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wc0 s PRO 837 N -1.89 3.37 -0.14 1.61 0.02 -1.26 -0.96 135.00 135.75 2wc0 s PRO 837 Ca 0.00 1.84 -0.00 0.00 0.02 0.00 0.00 61.00 62.86 2wc0 s PRO 837 Cb 0.00 -2.18 -0.01 0.00 0.02 0.00 0.00 34.50 32.33 2wc0 s PRO 837 CO 0.00 -0.89 -0.14 0.50 -0.33 0.00 0.00 177.00 176.14 2wc0 s ARG 838 N -3.01 3.31 -0.04 5.54 3.52 0.15 -4.75 118.95 123.67 2wc0 s ARG 838 Ca 0.70 -0.71 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 2wc0 s ARG 838 Cb -0.30 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 2wc0 s ARG 838 CO 0.35 0.12 -0.19 1.03 -0.81 0.00 0.00 175.30 175.80 2wc0 s ARG 839 N 0.58 1.86 -0.22 5.12 3.00 -1.26 -1.49 118.95 126.54 2wc0 s ARG 839 Ca -0.08 -0.69 -0.27 0.00 0.00 0.00 0.00 55.73 54.69 2wc0 s ARG 839 Cb -0.16 -1.66 0.11 0.00 0.00 0.00 0.00 34.95 33.25 2wc0 s ARG 839 CO 0.03 0.32 0.96 0.00 0.00 0.00 0.00 175.30 176.61 2wc0 s ALA 840 N -0.14 -1.93 -1.04 2.13 0.00 -0.65 -4.92 121.76 115.21 2wc0 s ALA 840 Ca -0.01 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2wc0 s ALA 840 Cb -0.11 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2wc0 s ALA 840 CO 0.02 -0.28 0.00 0.09 0.00 0.00 0.00 175.76 175.59 2wc0 n ASN 841 N 1.70 -2.66 0.00 0.00 3.02 -1.26 -0.11 115.26 115.95 2wc0 n ASN 841 Ca -0.12 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2wc0 n ASN 841 Cb 0.56 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 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 -0.22 1.07 3.98 7.41 0.00 -1.26 -4.57 105.19 111.60 2wc0 n GLY 842 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.66 3.26 0.25 -0.61 -1.09 0.84 -0.76 121.20 120.43 2wc0 s ILE 843 Ca 0.00 -1.06 -0.16 0.00 -2.23 0.00 0.00 60.65 57.20 2wc0 s ILE 843 Cb 0.00 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 2wc0 s ILE 843 CO 0.00 -0.05 0.55 0.00 -1.23 0.00 0.00 174.94 174.21 2wc0 s GLN 844 N -4.26 1.58 -0.00 2.79 -2.07 -1.08 -1.64 119.66 114.98 2wc0 s GLN 844 Ca 0.51 -1.12 -0.03 0.00 -1.82 0.00 0.00 55.36 52.89 2wc0 s GLN 844 Cb -0.09 0.52 0.01 0.00 -1.09 0.00 0.00 33.01 32.36 2wc0 s GLN 844 CO 0.32 -0.68 0.15 0.41 -1.32 0.00 0.00 175.29 174.17 2wc0 n GLY 845 N -0.39 0.63 3.46 2.60 0.00 -0.56 -0.80 105.19 110.14 2wc0 n GLY 845 Ca -0.04 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 2.91 0.28 0.99 0.20 -0.66 0.29 118.68 122.69 2wc0 s LEU 846 Ca 0.04 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.71 2wc0 s LEU 846 Cb -0.00 -1.65 -0.06 0.00 -0.43 0.00 0.00 46.19 44.06 2wc0 s LEU 846 CO -0.00 0.25 -0.02 0.00 -0.29 0.00 0.00 176.35 176.29 2wc0 s ARG 847 N -0.14 1.52 -0.03 1.98 1.70 -0.13 -0.05 118.95 123.79 2wc0 s ARG 847 Ca 0.00 -1.78 0.01 0.00 -0.47 0.00 0.00 55.73 53.49 2wc0 s ARG 847 Cb -0.13 -0.96 0.02 0.00 -0.57 0.00 0.00 34.95 33.31 2wc0 s ARG 847 CO 0.03 -0.05 -0.03 -0.06 -1.08 0.00 0.00 175.30 174.11 2wc0 s PHE 848 N -3.18 0.54 -0.07 5.89 0.40 -0.60 -1.83 117.98 119.14 2wc0 s PHE 848 Ca 0.31 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2wc0 s PHE 848 Cb 0.05 -0.49 0.01 0.00 0.51 0.00 0.00 43.02 43.10 2wc0 s PHE 848 CO 0.12 -0.12 -0.14 0.42 0.70 0.00 0.00 175.22 176.20 2wc0 s ILE 849 N 0.68 1.27 0.03 0.64 1.01 -0.35 -1.81 121.20 122.69 2wc0 s ILE 849 Ca -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2wc0 s ILE 849 Cb -0.11 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2wc0 s ILE 849 CO -0.00 0.39 -0.10 -0.63 0.00 0.00 0.00 174.94 174.59 2wc0 s ILE 850 N 0.67 0.75 -0.10 2.92 1.01 -0.92 -0.22 121.20 125.31 2wc0 s ILE 850 Ca -0.14 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.65 2wc0 s ILE 850 Cb -0.16 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2wc0 s ILE 850 CO 0.04 -0.14 -0.23 -1.58 0.00 0.00 0.00 174.94 173.03 2wc0 s GLN 851 N -1.15 2.93 0.17 2.79 0.74 -1.02 -1.67 119.66 122.45 2wc0 s GLN 851 Ca -0.03 -0.84 -0.15 0.00 0.05 0.00 0.00 55.36 54.39 2wc0 s GLN 851 Cb -0.08 -2.22 0.02 0.00 1.10 0.00 0.00 33.01 31.83 2wc0 s GLN 851 CO 0.01 0.17 0.43 0.45 -0.55 0.00 0.00 175.29 175.80 2wc0 s SER 852 N 0.35 -0.17 0.01 6.67 0.15 -0.63 -4.18 113.70 115.90 2wc0 s SER 852 Ca -0.18 -0.55 0.20 0.00 0.70 0.00 0.00 55.95 56.11 2wc0 s SER 852 Cb -0.18 0.52 -0.20 0.00 -1.71 0.00 0.00 66.02 64.45 2wc0 s SER 852 CO 0.08 -0.97 0.61 1.21 1.20 0.00 0.00 173.24 175.38 2wc0 n GLU 853 N -0.28 0.64 -2.07 5.44 2.13 -1.26 0.09 120.64 125.33 2wc0 n GLU 853 Ca -0.11 0.03 -0.35 0.00 0.66 0.00 0.00 57.16 57.39 2wc0 n GLU 853 Cb 0.63 -1.66 0.02 0.00 0.27 0.00 0.00 31.44 30.70 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 -3.11 3.09 0.58 5.31 -0.14 -1.26 -4.78 119.74 119.42 2wc0 s LYS 854 Ca -0.05 1.66 -0.15 0.00 -1.36 0.00 0.00 55.97 56.06 2wc0 s LYS 854 Cb 0.10 -1.96 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 2wc0 s LYS 854 CO 0.84 -1.07 1.03 -1.25 -0.76 0.00 0.00 175.35 174.14 2wc0 s PRO 855 N -3.44 3.51 -1.03 -1.68 0.04 -1.26 -4.67 135.00 126.47 2wc0 s PRO 855 Ca 0.74 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 2wc0 s PRO 855 Cb -0.26 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2wc0 s PRO 855 CO 0.32 -0.64 1.91 -1.25 0.04 0.00 0.00 177.00 177.38 2wc0 s PRO 856 N -4.24 2.62 0.00 0.56 0.04 -1.26 -1.68 135.00 131.05 2wc0 s PRO 856 Ca 0.61 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2wc0 s PRO 856 Cb -0.13 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2wc0 s PRO 856 CO 0.38 -3.53 0.00 0.98 0.04 0.00 0.00 177.00 174.87 2wc0 n TYR 858 N 13.73 0.00 -0.26 0.56 9.36 -1.26 -3.91 117.16 135.38 2wc0 n TYR 858 Ca 0.42 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.61 2wc0 n TYR 858 Cb 0.47 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.21 2wc0 n TYR 858 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2wc0 h LEU 859 N 0.00 -1.13 -0.92 2.98 4.07 -1.65 -1.56 115.31 117.10 2wc0 h LEU 859 Ca 0.00 0.25 0.15 0.00 0.08 0.00 0.00 57.88 58.36 2wc0 h LEU 859 Cb 0.00 0.60 -0.15 0.00 1.08 0.00 0.00 40.66 42.19 2wc0 h LEU 859 CO 0.00 -0.29 -0.34 -0.62 -1.08 0.00 0.00 178.44 176.11 2wc0 n GLU 860 N -5.46 -0.19 0.02 1.13 -0.58 -1.25 -1.00 120.64 113.31 2wc0 n GLU 860 Ca 0.07 1.42 -0.10 0.00 -0.42 0.00 0.00 57.16 58.14 2wc0 n GLU 860 Cb 0.38 -2.11 0.05 0.00 -0.57 0.00 0.00 31.44 29.18 2wc0 n GLU 860 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2wc0 h SER 861 N 0.00 0.57 -0.33 1.62 4.64 -1.64 0.05 113.55 118.45 2wc0 h SER 861 Ca 0.34 -0.33 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2wc0 h SER 861 Cb 0.57 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2wc0 h SER 861 CO -0.92 1.05 0.04 0.03 -0.87 0.00 0.00 176.83 176.15 2wc0 h ARG 862 N 0.37 0.66 -0.41 4.77 2.47 -0.29 0.14 114.38 122.09 2wc0 h ARG 862 Ca -0.01 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.49 2wc0 h ARG 862 Cb 1.16 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2wc0 h ARG 862 CO 0.11 0.65 -0.08 0.28 0.56 0.00 0.00 179.97 181.50 2wc0 h VAL 863 N 0.63 1.24 -0.13 2.04 2.07 -0.57 0.88 116.25 122.42 2wc0 h VAL 863 Ca 0.13 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 2wc0 h VAL 863 Cb 0.34 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2wc0 h VAL 863 CO 0.01 0.37 -0.32 -0.33 0.02 0.00 0.00 177.57 177.32 2wc0 h GLU 864 N 0.65 0.44 -0.84 1.57 4.39 -0.50 -0.02 114.58 120.28 2wc0 h GLU 864 Ca 0.12 -0.30 0.21 0.00 0.34 0.00 0.00 59.36 59.72 2wc0 h GLU 864 Cb 0.51 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.07 2wc0 h GLU 864 CO 0.03 0.92 0.10 0.00 -1.16 0.00 0.00 179.01 178.89 2wc0 h ALA 865 N 0.53 1.03 -0.29 3.43 0.00 -0.62 -2.32 119.26 121.02 2wc0 h ALA 865 Ca -0.00 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2wc0 h ALA 865 Cb 0.93 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2wc0 h ALA 865 CO 0.07 -0.46 -0.05 0.35 0.00 0.00 0.00 179.25 179.16 2wc0 h PHE 866 N 0.13 0.61 -0.74 0.00 3.57 -0.22 -2.47 116.94 117.81 2wc0 h PHE 866 Ca 0.49 -0.12 0.15 0.00 3.53 0.00 0.00 57.97 62.02 2wc0 h PHE 866 Cb 0.94 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.43 2wc0 h PHE 866 CO -0.37 0.72 0.26 1.25 -2.23 0.00 0.00 178.31 177.94 2wc0 h LEU 867 N 0.31 0.19 -0.00 0.59 5.85 -0.55 -0.37 115.31 121.33 2wc0 h LEU 867 Ca 0.08 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2wc0 h LEU 867 Cb 0.52 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2wc0 h LEU 867 CO 0.02 0.05 0.00 0.40 -0.34 0.00 0.00 178.44 178.58 2wc0 h ILE 868 N 0.38 1.20 -0.84 4.05 2.04 -1.16 -2.70 117.51 120.49 2wc0 h ILE 868 Ca 0.41 -0.60 0.11 0.00 1.00 0.00 0.00 64.86 65.79 2wc0 h ILE 868 Cb 0.66 1.61 -0.13 0.00 -0.74 0.00 0.00 36.82 38.22 2wc0 h ILE 868 CO -0.44 0.16 -0.38 0.41 0.00 0.00 0.00 178.15 177.90 2wc0 n THR 869 N -4.97 -0.48 -0.25 -0.27 -1.04 -0.89 -1.66 114.28 104.72 2wc0 n THR 869 Ca -0.08 1.99 0.02 0.00 -2.04 0.00 0.00 64.05 63.94 2wc0 n THR 869 Cb 0.15 -2.58 0.15 0.00 -1.82 0.00 0.00 70.33 66.23 2wc0 n THR 869 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2wc0 h MET 870 N 0.00 0.60 -0.19 -2.82 2.86 -0.83 0.53 114.93 115.08 2wc0 h MET 870 Ca 0.25 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 2wc0 h MET 870 Cb 0.46 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2wc0 h MET 870 CO -0.82 0.40 0.08 1.05 1.06 0.00 0.00 176.91 178.68 2wc0 h GLU 871 N 0.62 0.18 -0.51 1.72 4.11 -1.00 0.13 114.58 119.83 2wc0 h GLU 871 Ca 0.36 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.76 2wc0 h GLU 871 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2wc0 h GLU 871 CO -0.27 0.12 0.24 -0.22 0.07 0.00 0.00 179.01 178.95 2wc0 h LYS 872 N 0.18 0.74 -0.90 1.06 1.63 -1.23 0.06 116.57 118.11 2wc0 h LYS 872 Ca 0.08 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 2wc0 h LYS 872 Cb 0.03 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.47 2wc0 h LYS 872 CO -0.07 0.61 0.57 1.03 -3.45 0.00 0.00 179.45 178.15 2wc0 h SER 873 N 0.68 0.92 -0.62 4.20 0.87 -0.72 0.19 113.55 119.06 2wc0 h SER 873 Ca 0.17 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2wc0 h SER 873 Cb 0.12 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2wc0 h SER 873 CO -0.02 0.61 0.03 0.40 -0.53 0.00 0.00 176.83 177.32 2wc0 h ILE 874 N 1.07 1.26 0.46 2.23 2.04 0.10 -1.42 117.51 123.25 2wc0 h ILE 874 Ca 0.38 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2wc0 h ILE 874 Cb 0.10 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2wc0 h ILE 874 CO -0.15 0.41 -0.39 -0.33 0.00 0.00 0.00 178.15 177.69 2wc0 h GLU 875 N 0.99 -0.82 0.00 2.37 5.08 -0.54 -3.23 114.58 118.44 2wc0 h GLU 875 Ca 0.18 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2wc0 h GLU 875 Cb 0.52 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2wc0 h GLU 875 CO 0.03 -0.55 -0.12 -0.44 -1.00 0.00 0.00 179.01 176.93 2wc0 h ASP 876 N -0.85 0.00 -4.06 1.42 3.45 -0.48 -3.45 116.42 112.46 2wc0 h ASP 876 Ca -0.04 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.88 2wc0 h ASP 876 Cb 0.74 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 39.62 2wc0 h ASP 876 CO -0.03 0.12 0.53 0.00 -1.57 0.00 0.00 179.24 178.29 2wc0 s MET 877 N -4.28 3.18 0.76 3.56 0.23 -0.55 -5.02 119.30 117.18 2wc0 s MET 877 Ca -0.03 2.00 -0.11 0.00 -1.03 0.00 0.00 55.69 56.52 2wc0 s MET 877 Cb 0.14 -2.16 0.05 0.00 -1.53 0.00 0.00 34.83 31.32 2wc0 s MET 877 CO 0.59 -1.09 1.08 0.95 -2.03 0.00 0.00 175.02 174.53 2wc0 s THR 878 N -1.45 3.50 0.21 3.16 -4.23 -1.26 -4.87 115.64 110.71 2wc0 s THR 878 Ca 0.72 0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 61.63 2wc0 s THR 878 Cb -0.35 -3.10 0.15 0.00 1.34 0.00 0.00 72.50 70.54 2wc0 s THR 878 CO 0.40 -0.64 1.79 -0.08 -0.54 0.00 0.00 174.62 175.55 2wc0 h GLU 879 N -1.01 1.11 -0.77 3.99 4.57 -1.98 -0.15 114.58 120.34 2wc0 h GLU 879 Ca -0.45 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 57.53 2wc0 h GLU 879 Cb 1.23 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2wc0 h GLU 879 CO 0.55 0.87 0.34 1.49 -1.18 0.00 0.00 179.01 181.07 2wc0 h GLU 880 N 1.08 1.13 -0.63 1.92 4.57 -1.98 0.24 114.58 120.90 2wc0 h GLU 880 Ca 0.26 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 2wc0 h GLU 880 Cb 0.13 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2wc0 h GLU 880 CO -0.03 0.90 0.21 0.00 -1.18 0.00 0.00 179.01 178.90 2wc0 h ALA 881 N 1.17 1.17 -0.08 2.92 0.00 -1.42 -1.18 119.26 121.85 2wc0 h ALA 881 Ca 0.26 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2wc0 h ALA 881 Cb 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wc0 h ALA 881 CO -0.03 0.58 -0.08 0.35 0.00 0.00 0.00 179.25 180.07 2wc0 h PHE 882 N 0.93 -0.21 0.00 0.00 3.57 -0.35 -1.94 116.94 118.95 2wc0 h PHE 882 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2wc0 h PHE 882 Cb 0.25 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2wc0 h PHE 882 CO 0.02 -0.13 -0.13 0.37 -2.23 0.00 0.00 178.31 176.21 2wc0 h GLN 883 N -0.11 0.00 0.02 1.11 5.75 -0.58 -2.26 115.11 119.04 2wc0 h GLN 883 Ca 0.06 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.30 2wc0 h GLN 883 Cb 0.20 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.76 2wc0 h GLN 883 CO -0.15 0.13 -1.04 0.87 -2.65 0.00 0.00 178.83 175.99 2wc0 h LYS 884 N 0.00 0.60 -0.79 1.69 1.57 -0.45 -1.71 116.57 117.49 2wc0 h LYS 884 Ca -0.00 -0.67 -0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2wc0 h LYS 884 Cb 0.43 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 2wc0 h LYS 884 CO 0.02 1.27 0.48 0.45 -0.57 0.00 0.00 179.45 181.10 2wc0 h HIS 885 N 0.33 1.03 0.16 -1.35 3.86 -1.09 0.22 115.15 118.30 2wc0 h HIS 885 Ca -0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 2wc0 h HIS 885 Cb 1.69 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.83 2wc0 h HIS 885 CO 0.09 0.68 -0.08 0.82 0.86 0.00 0.00 177.93 180.30 2wc0 h ILE 886 N 1.08 0.86 -0.95 2.45 2.04 -1.14 -1.39 117.51 120.46 2wc0 h ILE 886 Ca 0.28 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 66.24 2wc0 h ILE 886 Cb -0.06 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 2wc0 h ILE 886 CO -0.05 0.01 0.60 -0.61 0.00 0.00 0.00 178.15 178.10 2wc0 h GLN 887 N -0.23 0.80 0.04 2.37 5.75 -1.10 0.40 115.11 123.13 2wc0 h GLN 887 Ca -0.02 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2wc0 h GLN 887 Cb 0.18 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2wc0 h GLN 887 CO 0.04 0.53 -0.02 0.00 -2.65 0.00 0.00 178.83 176.73 2wc0 h ALA 888 N 1.58 -0.05 -0.58 3.38 0.00 0.14 0.11 119.26 123.84 2wc0 h ALA 888 Ca 0.49 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2wc0 h ALA 888 Cb 0.65 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2wc0 h ALA 888 CO -0.25 -0.22 0.19 1.25 0.00 0.00 0.00 179.25 180.22 2wc0 h LEU 889 N -0.67 0.16 -0.39 0.00 6.46 -0.91 -0.62 115.31 119.33 2wc0 h LEU 889 Ca -0.01 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2wc0 h LEU 889 Cb 0.60 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.55 2wc0 h LEU 889 CO 0.01 0.10 -0.01 0.00 -0.62 0.00 0.00 178.44 177.91 2wc0 h ALA 890 N 1.41 0.34 -0.64 1.25 0.00 0.05 0.20 119.26 121.87 2wc0 h ALA 890 Ca 0.29 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2wc0 h ALA 890 Cb 0.37 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2wc0 h ALA 890 CO -0.32 -0.40 0.36 0.82 0.00 0.00 0.00 179.25 179.71 2wc0 h ILE 891 N 0.09 1.20 0.20 0.00 1.08 -0.23 -0.99 117.51 118.85 2wc0 h ILE 891 Ca 0.19 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 2wc0 h ILE 891 Cb 0.27 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2wc0 h ILE 891 CO -0.33 0.21 -0.10 0.03 -0.69 0.00 0.00 178.15 177.27 2wc0 h ARG 892 N 0.86 -0.27 -0.36 2.37 3.08 0.38 -0.81 114.38 119.64 2wc0 h ARG 892 Ca 0.22 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 2wc0 h ARG 892 Cb 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2wc0 h ARG 892 CO -0.04 -0.18 0.02 0.00 -1.07 0.00 0.00 179.97 178.70 2wc0 h ARG 893 N -0.28 0.55 -0.05 0.04 2.47 -0.53 -2.92 114.38 113.67 2wc0 h ARG 893 Ca -0.02 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2wc0 h ARG 893 Cb 0.22 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2wc0 h ARG 893 CO 0.04 0.57 0.00 1.28 0.56 0.00 0.00 179.97 182.41 2wc0 n LEU 894 N -4.28 1.78 -4.67 3.04 4.77 -0.39 -4.90 117.00 112.35 2wc0 n LEU 894 Ca 0.02 -0.62 -0.49 0.00 -0.03 0.00 0.00 56.01 54.88 2wc0 n LEU 894 Cb 0.24 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2wc0 n LEU 894 CO 0.39 0.31 1.52 -0.67 -1.33 0.00 0.00 177.39 177.61 2wc0 n ASP 895 N 0.39 3.27 -4.76 -1.43 2.03 -0.35 -4.90 116.55 110.80 2wc0 n ASP 895 Ca 0.18 0.91 -0.41 0.00 0.52 0.00 0.00 54.79 56.00 2wc0 n ASP 895 Cb 0.39 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 2wc0 n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wc0 s LYS 896 N 4.30 4.51 0.36 -0.67 1.02 -1.26 -5.00 119.74 123.01 2wc0 s LYS 896 Ca 0.95 1.96 -0.27 0.00 0.02 0.00 0.00 55.97 58.63 2wc0 s LYS 896 Cb -0.72 -3.16 -0.12 0.00 -0.52 0.00 0.00 37.83 33.32 2wc0 s LYS 896 CO 0.52 0.02 1.27 -2.30 -0.92 0.00 0.00 175.35 173.93 2wc0 n PRO 897 N 1.32 2.03 0.00 -1.68 -0.02 -1.26 -4.94 135.00 130.44 2wc0 n PRO 897 Ca 0.00 0.71 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 2wc0 n PRO 897 Cb 0.44 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2wc0 n PRO 897 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wc0 n LYS 898 N 0.41 0.05 -3.73 -0.52 4.76 -1.26 -4.96 118.16 112.91 2wc0 n LYS 898 Ca 0.05 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 2wc0 n LYS 898 Cb 0.37 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 2wc0 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2wc0 s LYS 899 N -3.03 1.15 0.15 1.97 -2.85 -1.26 -4.27 119.74 111.60 2wc0 s LYS 899 Ca 0.08 -0.84 -0.25 0.00 -1.00 0.00 0.00 55.97 53.95 2wc0 s LYS 899 Cb 0.16 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 2wc0 s LYS 899 CO 0.81 -0.46 1.36 -0.11 0.10 0.00 0.00 175.35 177.06 2wc0 n LEU 900 N -0.24 -0.88 0.15 2.77 7.94 -1.26 -0.53 117.00 124.94 2wc0 n LEU 900 Ca -0.13 1.57 0.13 0.00 -1.11 0.00 0.00 56.01 56.47 2wc0 n LEU 900 Cb 0.63 -0.23 0.44 0.00 0.53 0.00 0.00 43.42 44.79 2wc0 n LEU 900 CO 0.19 -1.30 0.88 0.77 -1.11 0.00 0.00 177.39 176.82 2wc0 h SER 901 N 0.00 0.00 0.31 1.96 4.64 -1.97 0.10 113.55 118.58 2wc0 h SER 901 Ca 0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.30 2wc0 h SER 901 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2wc0 h SER 901 CO -0.84 0.00 -0.75 0.00 -0.87 0.00 0.00 176.83 174.37 2wc0 h ALA 902 N 2.31 0.59 -0.04 5.18 0.00 -1.23 -1.24 119.26 124.83 2wc0 h ALA 902 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 2wc0 h ALA 902 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wc0 h ALA 902 CO 0.00 0.78 -0.22 1.49 0.00 0.00 0.00 179.25 181.30 2wc0 h GLU 903 N 0.25 0.22 -0.85 0.00 4.81 -0.40 -2.91 114.58 115.69 2wc0 h GLU 903 Ca -0.03 -0.18 0.22 0.00 -0.13 0.00 0.00 59.36 59.23 2wc0 h GLU 903 Cb 1.33 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.62 2wc0 h GLU 903 CO 0.13 0.85 0.21 0.77 -0.73 0.00 0.00 179.01 180.23 2wc0 h SER 904 N -0.35 -0.03 -0.40 1.04 0.02 -0.87 -2.27 113.55 110.68 2wc0 h SER 904 Ca -0.02 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2wc0 h SER 904 Cb 0.89 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2wc0 h SER 904 CO 0.05 -0.14 0.05 0.00 -1.14 0.00 0.00 176.83 175.65 2wc0 h ALA 905 N 1.75 0.54 -0.46 3.77 0.00 -1.12 0.25 119.26 123.99 2wc0 h ALA 905 Ca 0.52 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2wc0 h ALA 905 Cb 1.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2wc0 h ALA 905 CO -0.64 0.27 0.17 0.87 0.00 0.00 0.00 179.25 179.93 2wc0 h LYS 906 N 0.53 0.34 -0.57 0.00 1.57 -1.23 -1.45 116.57 115.76 2wc0 h LYS 906 Ca 0.12 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2wc0 h LYS 906 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2wc0 h LYS 906 CO 0.01 0.23 0.08 1.88 -0.57 0.00 0.00 179.45 181.08 2wc0 h TYR 907 N 0.35 1.02 -0.05 -1.35 0.99 -0.85 -2.44 116.97 114.65 2wc0 h TYR 907 Ca 0.21 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2wc0 h TYR 907 Cb 0.20 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 2wc0 h TYR 907 CO -0.15 0.90 -0.08 2.35 -0.00 0.00 0.00 178.16 181.18 2wc0 h TRP 908 N 0.85 0.07 0.00 4.88 -0.00 -0.13 -1.13 115.95 120.48 2wc0 h TRP 908 Ca 0.17 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.95 2wc0 h TRP 908 Cb 0.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 2wc0 h TRP 908 CO 0.03 0.15 -0.53 0.78 -0.00 0.00 0.00 178.44 178.87 2wc0 h GLY 909 N 0.38 0.00 1.40 2.65 0.00 -0.79 0.22 103.07 106.93 2wc0 h GLY 909 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 2wc0 h GLY 909 CO 0.01 0.00 -0.55 0.83 0.00 0.00 0.00 176.54 176.83 2wc0 h GLU 910 N 0.00 0.63 0.07 4.80 4.39 -1.02 -2.00 114.58 121.45 2wc0 h GLU 910 Ca -0.01 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 2wc0 h GLU 910 Cb 0.96 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2wc0 h GLU 910 CO 0.07 1.01 -0.03 0.82 -1.16 0.00 0.00 179.01 179.72 2wc0 h ILE 911 N 0.48 0.97 0.00 3.13 2.04 -0.97 -0.34 117.51 122.83 2wc0 h ILE 911 Ca 0.01 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 2wc0 h ILE 911 Cb 1.11 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2wc0 h ILE 911 CO 0.11 0.30 -0.20 0.16 0.00 0.00 0.00 178.15 178.52 2wc0 h ILE 912 N -0.93 0.75 -0.01 -0.67 3.07 -0.64 0.16 117.51 119.25 2wc0 h ILE 912 Ca -0.01 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.60 2wc0 h ILE 912 Cb 0.56 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2wc0 h ILE 912 CO 0.02 0.19 -0.05 -1.54 -1.05 0.00 0.00 178.15 175.72 2wc0 n SER 913 N -3.74 0.61 -1.80 2.16 3.41 -0.75 -4.92 113.62 108.59 2wc0 n SER 913 Ca -0.02 -0.97 -0.19 0.00 -0.26 0.00 0.00 58.87 57.44 2wc0 n SER 913 Cb 0.31 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.65 -1.54 0.04 4.33 6.02 0.58 -4.82 117.38 121.34 2wc0 n GLN 914 Ca 0.19 1.04 -0.04 0.00 -0.01 0.00 0.00 57.00 58.18 2wc0 n GLN 914 Cb 0.25 -5.47 -0.09 0.00 1.02 0.00 0.00 30.24 25.94 2wc0 n GLN 914 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2wc0 h GLN 915 N 0.00 0.00 -6.50 -1.09 4.20 -1.71 -3.32 115.11 106.70 2wc0 h GLN 915 Ca -0.40 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 57.83 2wc0 h GLN 915 Cb 1.25 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.79 2wc0 h GLN 915 CO 0.55 0.55 -0.70 0.66 -0.67 0.00 0.00 178.83 179.21 2wc0 n TYR 916 N -3.10 -1.52 -3.05 2.96 4.02 -0.18 -2.52 117.16 113.77 2wc0 n TYR 916 Ca -0.07 0.58 -0.44 0.00 -0.01 0.00 0.00 57.90 57.96 2wc0 n TYR 916 Cb 0.91 -2.18 0.01 0.00 -0.02 0.00 0.00 39.34 38.06 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 -2.34 5.98 0.00 7.72 2.85 -1.26 -4.75 115.26 123.45 2wc0 n ASN 917 Ca 0.07 -3.25 0.07 0.00 -0.11 0.00 0.00 54.58 51.36 2wc0 n ASN 917 Cb 0.48 -1.34 0.33 0.00 1.24 0.00 0.00 39.78 40.49 2wc0 n ASN 917 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2wc0 n PHE 918 N 2.17 0.00 -1.33 1.20 3.72 -1.26 -1.06 117.46 120.90 2wc0 n PHE 918 Ca 0.27 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.75 2wc0 n PHE 918 Cb 0.36 -0.49 0.16 0.00 -0.94 0.00 0.00 39.48 38.57 2wc0 n PHE 918 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wc0 n ASP 919 N -1.49 2.02 -0.28 4.37 4.64 -1.26 -4.76 116.55 119.78 2wc0 n ASP 919 Ca 0.04 -3.39 0.00 0.00 -1.38 0.00 0.00 54.79 50.06 2wc0 n ASP 919 Cb 0.18 -0.46 0.13 0.00 -1.04 0.00 0.00 41.12 39.93 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 0.43 0.83 -0.96 -0.67 2.43 -1.51 -2.30 114.38 112.63 2wc0 h ARG 920 Ca -0.00 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2wc0 h ARG 920 Cb 1.02 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.31 2wc0 h ARG 920 CO 0.00 0.55 0.61 -0.44 -1.51 0.00 0.00 179.97 179.18 2wc0 h ASP 921 N 0.85 0.88 -0.06 -3.80 3.32 -1.85 0.49 116.42 116.26 2wc0 h ASP 921 Ca 0.36 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.26 2wc0 h ASP 921 Cb 0.21 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2wc0 h ASP 921 CO -0.19 0.49 -0.65 0.78 -1.72 0.00 0.00 179.24 177.95 2wc0 h ASN 922 N 0.96 0.67 0.45 6.45 4.21 -1.81 -2.46 115.58 124.05 2wc0 h ASN 922 Ca 0.46 -0.70 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 2wc0 h ASN 922 Cb 0.45 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2wc0 h ASN 922 CO -0.22 1.27 -0.24 0.74 -1.29 0.00 0.00 177.43 177.68 2wc0 h THR 923 N 0.13 0.50 -0.57 2.81 2.02 -1.09 0.83 112.91 117.54 2wc0 h THR 923 Ca -0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2wc0 h THR 923 Cb 1.32 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2wc0 h THR 923 CO 0.13 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.84 2wc0 h GLU 924 N -0.65 0.87 -0.37 6.66 5.08 -0.12 -1.81 114.58 124.25 2wc0 h GLU 924 Ca -0.06 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 2wc0 h GLU 924 Cb 0.51 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2wc0 h GLU 924 CO 0.08 0.77 -0.16 0.28 -1.00 0.00 0.00 179.01 178.97 2wc0 h VAL 925 N 0.84 1.28 -0.54 3.13 2.07 -1.26 0.11 116.25 121.88 2wc0 h VAL 925 Ca 0.19 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.49 2wc0 h VAL 925 Cb 0.28 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2wc0 h VAL 925 CO -0.00 0.42 0.24 0.00 0.02 0.00 0.00 177.57 178.24 2wc0 h ALA 926 N 0.80 0.68 -0.33 1.67 0.00 -0.39 -2.38 119.26 119.33 2wc0 h ALA 926 Ca 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2wc0 h ALA 926 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wc0 h ALA 926 CO 0.05 -0.14 0.03 -0.92 0.00 0.00 0.00 179.25 178.27 2wc0 h TYR 927 N 0.45 0.60 -0.71 0.00 3.20 -1.01 -2.99 116.97 116.50 2wc0 h TYR 927 Ca 0.25 -0.09 0.12 0.00 3.14 0.00 0.00 58.73 62.15 2wc0 h TYR 927 Cb 0.22 -0.16 -0.13 0.00 1.54 0.00 0.00 36.73 38.21 2wc0 h TYR 927 CO -0.13 0.65 -0.35 1.25 -1.64 0.00 0.00 178.16 177.94 2wc0 h LEU 928 N 0.37 -1.24 -2.01 2.82 6.46 -0.45 -0.56 115.31 120.71 2wc0 h LEU 928 Ca 0.10 0.25 0.13 0.00 -0.12 0.00 0.00 57.88 58.24 2wc0 h LEU 928 Cb 0.39 0.63 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 2wc0 h LEU 928 CO 0.01 -0.30 0.43 0.11 -0.62 0.00 0.00 178.44 178.07 2wc0 h LYS 929 N -0.11 0.00 0.00 1.25 1.79 -1.28 -1.41 116.57 116.81 2wc0 h LYS 929 Ca 0.27 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.72 2wc0 h LYS 929 Cb 0.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2wc0 h LYS 929 CO -0.77 0.00 -0.08 1.15 -1.08 0.00 0.00 179.45 178.67 2wc0 h THR 930 N 0.00 0.35 -4.11 -0.16 2.02 -1.14 -3.47 112.91 106.40 2wc0 h THR 930 Ca 0.22 -0.44 -0.48 0.00 0.77 0.00 0.00 66.41 66.48 2wc0 h THR 930 Cb 1.07 1.32 0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2wc0 h THR 930 CO -0.00 0.08 0.33 -0.76 0.37 0.00 0.00 175.52 175.53 2wc0 s LEU 931 N -6.85 3.60 0.30 2.58 1.02 -0.53 -5.09 118.68 113.71 2wc0 s LEU 931 Ca -0.02 1.45 0.03 0.00 0.02 0.00 0.00 54.13 55.61 2wc0 s LEU 931 Cb 0.12 -4.40 -0.06 0.00 0.02 0.00 0.00 46.19 41.88 2wc0 s LEU 931 CO 0.55 -0.60 0.06 0.42 0.02 0.00 0.00 176.35 176.80 2wc0 s THR 932 N -2.67 1.04 0.30 5.49 -4.23 -1.26 -5.03 115.64 109.28 2wc0 s THR 932 Ca 0.57 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 2wc0 s THR 932 Cb -0.10 -2.72 0.29 0.00 1.34 0.00 0.00 72.50 71.31 2wc0 s THR 932 CO 0.35 -0.03 1.72 0.11 -0.54 0.00 0.00 174.62 176.23 2wc0 h LYS 933 N 2.21 0.51 -0.22 3.99 1.57 -1.98 -1.56 116.57 121.08 2wc0 h LYS 933 Ca -0.40 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2wc0 h LYS 933 Cb 1.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2wc0 h LYS 933 CO 0.67 0.34 0.12 0.93 -0.57 0.00 0.00 179.45 180.94 2wc0 h GLU 934 N 0.52 0.31 -0.45 3.15 4.39 -1.98 0.46 114.58 120.98 2wc0 h GLU 934 Ca 0.57 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.33 2wc0 h GLU 934 Cb 1.04 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.54 2wc0 h GLU 934 CO -0.47 0.30 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.11 2wc0 h ASP 935 N 0.24 -0.46 -0.34 1.42 3.32 -1.71 0.18 116.42 119.08 2wc0 h ASP 935 Ca 0.08 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 2wc0 h ASP 935 Cb 0.08 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2wc0 h ASP 935 CO -0.01 -0.16 -0.25 0.40 -1.72 0.00 0.00 179.24 177.49 2wc0 h ILE 936 N -0.02 1.29 -0.71 0.35 1.08 -0.84 -0.46 117.51 118.21 2wc0 h ILE 936 Ca 0.22 -1.40 0.06 0.00 -0.39 0.00 0.00 64.86 63.35 2wc0 h ILE 936 Cb 0.35 1.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 2wc0 h ILE 936 CO -0.47 0.46 0.40 0.40 -0.69 0.00 0.00 178.15 178.24 2wc0 h ILE 937 N 0.54 0.97 -0.14 -0.67 1.08 0.85 -1.75 117.51 118.39 2wc0 h ILE 937 Ca 0.06 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2wc0 h ILE 937 Cb 0.81 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 2wc0 h ILE 937 CO 0.07 0.13 0.06 0.11 -0.69 0.00 0.00 178.15 177.83 2wc0 h LYS 938 N 0.72 0.13 -0.87 2.37 1.57 -0.50 -0.63 116.57 119.37 2wc0 h LYS 938 Ca 0.32 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 2wc0 h LYS 938 Cb 0.21 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 2wc0 h LYS 938 CO -0.19 0.09 0.53 0.35 -0.57 0.00 0.00 179.45 179.66 2wc0 h PHE 939 N 0.14 0.97 -0.12 -1.35 3.57 -0.87 0.51 116.94 119.80 2wc0 h PHE 939 Ca 0.06 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 2wc0 h PHE 939 Cb 0.02 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2wc0 h PHE 939 CO -0.09 0.44 -0.73 -0.92 -2.23 0.00 0.00 178.31 174.77 2wc0 h TYR 940 N 0.92 0.76 -0.12 0.41 5.03 -0.89 -1.47 116.97 121.61 2wc0 h TYR 940 Ca 0.40 -0.33 -0.18 0.00 2.58 0.00 0.00 58.73 61.20 2wc0 h TYR 940 Cb 0.28 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 2wc0 h TYR 940 CO -0.04 1.11 -0.69 0.87 -1.32 0.00 0.00 178.16 178.10 2wc0 h LYS 941 N 0.39 0.51 -0.07 1.82 1.57 -0.34 0.64 116.57 121.09 2wc0 h LYS 941 Ca -0.04 -0.39 -0.24 0.00 -1.87 0.00 0.00 60.65 58.12 2wc0 h LYS 941 Cb 1.33 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.72 2wc0 h LYS 941 CO 0.14 1.01 -0.90 1.49 -0.57 0.00 0.00 179.45 180.62 2wc0 h GLU 942 N 0.36 0.68 0.00 3.15 4.81 0.11 -3.40 114.58 120.29 2wc0 h GLU 942 Ca -0.02 -0.64 -0.02 0.00 -0.13 0.00 0.00 59.36 58.55 2wc0 h GLU 942 Cb 1.26 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 2wc0 h GLU 942 CO 0.12 1.24 -1.22 -1.33 -0.73 0.00 0.00 179.01 177.10 2wc0 n MET 943 N -3.87 0.82 -0.03 1.92 0.00 -0.56 -1.43 117.12 113.96 2wc0 n MET 943 Ca -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 57.70 57.53 2wc0 n MET 943 Cb 0.81 -1.10 -0.03 0.00 0.00 0.00 0.00 33.22 32.89 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 -1.76 2.19 -4.54 4.03 4.77 -0.17 -3.90 117.00 117.62 2wc0 n LEU 944 Ca -0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.58 2wc0 n LEU 944 Cb 0.23 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2wc0 n LEU 944 CO 0.09 0.46 0.30 0.00 -1.33 0.00 0.00 177.39 176.91 2wc0 n ALA 945 N -2.89 -0.50 -0.04 -1.18 0.00 0.21 -4.83 120.51 111.27 2wc0 n ALA 945 Ca -0.12 -0.01 0.20 0.00 0.00 0.00 0.00 53.44 53.50 2wc0 n ALA 945 Cb 0.61 -1.97 0.66 0.00 0.00 0.00 0.00 19.45 18.76 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 0.33 0.73 -1.17 0.00 3.04 -1.95 0.61 116.25 117.84 2wc0 h VAL 946 Ca -0.47 -0.02 -0.64 0.00 -1.01 0.00 0.00 66.70 64.56 2wc0 h VAL 946 Cb 1.38 0.65 -0.36 0.00 -2.01 0.00 0.00 31.29 30.96 2wc0 h VAL 946 CO 0.49 0.01 0.07 -0.90 -1.01 0.00 0.00 177.57 176.23 2wc0 n ASP 947 N -4.39 6.25 -4.80 3.17 3.85 -1.26 -5.03 116.55 114.34 2wc0 n ASP 947 Ca 0.11 -3.77 -0.39 0.00 -0.71 0.00 0.00 54.79 50.03 2wc0 n ASP 947 Cb 0.62 -0.69 -0.06 0.00 -1.35 0.00 0.00 41.12 39.64 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 -3.75 3.56 0.55 2.12 0.00 0.20 -4.95 121.76 119.50 2wc0 s ALA 948 Ca 0.55 0.09 0.23 0.00 0.00 0.00 0.00 51.96 52.83 2wc0 s ALA 948 Cb 0.45 -2.69 1.47 0.00 0.00 0.00 0.00 23.12 22.34 2wc0 s ALA 948 CO -0.09 0.36 2.12 -1.00 0.00 0.00 0.00 175.76 177.15 2wc0 h PRO 949 N 4.59 0.00 -0.77 0.00 0.13 -1.77 -2.47 132.00 131.71 2wc0 h PRO 949 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 2wc0 h PRO 949 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 2wc0 h PRO 949 CO 0.64 0.00 -0.50 0.54 -0.23 0.00 0.00 178.00 178.46 2wc0 n ARG 950 N -4.23 3.38 -2.35 0.86 1.74 -0.52 -4.26 116.66 111.29 2wc0 n ARG 950 Ca 0.01 -3.98 -0.42 0.00 -0.77 0.00 0.00 57.85 52.70 2wc0 n ARG 950 Cb 0.27 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 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 -3.63 4.44 -0.31 5.56 3.52 -0.93 -4.64 118.95 122.97 2wc0 s ARG 951 Ca 0.53 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 2wc0 s ARG 951 Cb 0.43 -3.27 0.10 0.00 -1.56 0.00 0.00 34.95 30.64 2wc0 s ARG 951 CO 0.03 -0.21 0.08 -1.01 -0.81 0.00 0.00 175.30 173.37 2wc0 s HIS 952 N 0.52 2.22 -0.09 5.12 3.76 -1.26 -0.91 115.29 124.64 2wc0 s HIS 952 Ca 0.57 -2.01 0.03 0.00 -0.15 0.00 0.00 55.06 53.49 2wc0 s HIS 952 Cb -0.32 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.37 2wc0 s HIS 952 CO 0.33 -0.88 -0.17 0.21 -0.85 0.00 0.00 174.74 173.38 2wc0 s LYS 953 N 1.44 2.97 0.04 1.40 2.20 -0.97 -0.72 119.74 126.11 2wc0 s LYS 953 Ca 0.09 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 2wc0 s LYS 953 Cb -0.18 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2wc0 s LYS 953 CO -0.20 0.34 -0.14 0.08 -0.36 0.00 0.00 175.35 175.07 2wc0 s VAL 954 N -0.00 1.15 -0.02 4.02 1.01 -0.51 -2.07 120.40 123.98 2wc0 s VAL 954 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2wc0 s VAL 954 Cb -0.15 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 2wc0 s VAL 954 CO 0.05 -0.02 -0.10 -0.44 0.00 0.00 0.00 175.10 174.59 2wc0 s SER 955 N -1.23 1.30 -0.20 3.32 0.01 -0.26 -0.89 113.70 115.76 2wc0 s SER 955 Ca 0.01 -0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.03 2wc0 s SER 955 Cb -0.08 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 2wc0 s SER 955 CO 0.01 0.09 -0.03 -0.69 0.41 0.00 0.00 173.24 173.04 2wc0 s VAL 956 N 0.06 3.67 -0.27 3.43 1.01 -0.09 -0.98 120.40 127.23 2wc0 s VAL 956 Ca -0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2wc0 s VAL 956 Cb -0.08 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2wc0 s VAL 956 CO 0.00 0.44 0.07 -1.00 0.00 0.00 0.00 175.10 174.62 2wc0 s HIS 957 N 1.06 3.11 -0.29 5.22 3.76 -0.26 -1.99 115.29 125.90 2wc0 s HIS 957 Ca 0.01 -0.68 -0.06 0.00 -0.15 0.00 0.00 55.06 54.18 2wc0 s HIS 957 Cb -0.15 -2.25 0.01 0.00 1.11 0.00 0.00 32.58 31.31 2wc0 s HIS 957 CO 0.01 -0.46 0.06 0.08 -0.85 0.00 0.00 174.74 173.57 2wc0 s VAL 958 N 1.56 3.75 0.53 -0.90 1.01 0.11 -0.42 120.40 126.05 2wc0 s VAL 958 Ca 0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 2wc0 s VAL 958 Cb -0.16 -2.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 2wc0 s VAL 958 CO 0.03 0.08 1.01 -0.76 0.00 0.00 0.00 175.10 175.46 2wc0 s LEU 959 N 1.46 3.63 0.64 3.92 1.43 0.89 -0.55 118.68 130.10 2wc0 s LEU 959 Ca 0.02 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.64 2wc0 s LEU 959 Cb -0.17 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2wc0 s LEU 959 CO 0.01 -0.74 1.08 0.00 0.23 0.00 0.00 176.35 176.93 2wc0 s ALA 960 N -2.50 2.61 0.17 4.21 0.00 -1.16 -0.64 121.76 124.44 2wc0 s ALA 960 Ca 0.61 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 2wc0 s ALA 960 Cb -0.12 -3.25 0.19 0.00 0.00 0.00 0.00 23.12 19.94 2wc0 s ALA 960 CO 0.31 -1.09 1.09 -2.13 0.00 0.00 0.00 175.76 173.94 2wc0 n ARG 961 N -2.42 -0.15 -0.00 0.00 0.63 -0.14 -2.52 116.66 112.06 2wc0 n ARG 961 Ca 0.09 1.08 -0.20 0.00 -0.92 0.00 0.00 57.85 57.90 2wc0 n ARG 961 Cb 0.53 -1.61 -0.14 0.00 0.45 0.00 0.00 32.46 31.69 2wc0 n ARG 961 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2wc0 h GLU 962 N 0.00 0.20 0.00 -0.14 4.39 -1.88 -3.48 114.58 113.67 2wc0 h GLU 962 Ca 0.26 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2wc0 h GLU 962 Cb 0.43 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2wc0 h GLU 962 CO -0.70 1.16 0.00 -1.33 -1.16 0.00 0.00 179.01 176.98 2wc0 n MET 963 N -4.10 0.00 0.00 2.33 2.81 -1.05 -5.22 117.12 111.89 2wc0 n MET 963 Ca -0.22 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 2wc0 n MET 963 Cb 0.81 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.32 2wc0 n MET 963 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2wc0 n ASN 979 N 0.00 0.00 -4.68 7.83 6.94 -1.26 -5.00 115.26 119.09 2wc0 n ASN 979 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 2wc0 n ASN 979 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2wc0 n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wc0 s LEU 980 N 0.00 4.34 1.23 -4.53 1.43 -1.26 -5.03 118.68 114.86 2wc0 s LEU 980 Ca 0.00 2.32 -0.18 0.00 -1.03 0.00 0.00 54.13 55.25 2wc0 s LEU 980 Cb 0.00 -3.55 0.29 0.00 0.03 0.00 0.00 46.19 42.96 2wc0 s LEU 980 CO 0.00 -0.86 1.04 -0.94 0.23 0.00 0.00 176.35 175.82 2wc0 s SER 981 N 2.54 0.63 -0.25 2.29 1.04 -1.26 -4.96 113.70 113.73 2wc0 s SER 981 Ca 0.71 0.95 -0.09 0.00 0.48 0.00 0.00 55.95 58.00 2wc0 s SER 981 Cb -0.36 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 2wc0 s SER 981 CO 0.30 -4.34 0.12 -1.58 0.98 0.00 0.00 173.24 168.73 2wc0 s GLN 982 N -5.05 3.85 0.03 4.02 2.00 -1.26 -5.02 119.66 118.23 2wc0 s GLN 982 Ca 0.69 -0.38 -0.30 0.00 -2.00 0.00 0.00 55.36 53.37 2wc0 s GLN 982 Cb -0.15 -3.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.17 2wc0 s GLN 982 CO 0.59 -0.09 0.96 0.00 -0.50 0.00 0.00 175.29 176.25 2wc0 s ALA 983 N 1.42 3.19 0.71 1.58 0.00 -1.26 -4.56 121.76 122.84 2wc0 s ALA 983 Ca 0.06 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 2wc0 s ALA 983 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.69 2wc0 s ALA 983 CO 0.06 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 2wc0 s PRO 984 N 0.72 2.60 0.25 0.00 0.04 -1.26 -4.93 135.00 132.42 2wc0 s PRO 984 Ca 0.50 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2wc0 s PRO 984 Cb -0.21 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 2wc0 s PRO 984 CO 0.28 -1.38 1.55 0.00 0.04 0.00 0.00 177.00 177.49 2wc0 s ALA 985 N -2.73 3.73 0.19 8.56 0.00 -1.26 -4.96 121.76 125.29 2wc0 s ALA 985 Ca 0.62 1.46 0.08 0.00 0.00 0.00 0.00 51.96 54.12 2wc0 s ALA 985 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 2wc0 s ALA 985 CO 0.50 -0.86 0.01 -0.51 0.00 0.00 0.00 175.76 174.90 2wc0 s LEU 986 N -0.02 3.33 0.83 0.00 1.43 -1.26 -5.09 118.68 117.90 2wc0 s LEU 986 Ca 0.64 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 2wc0 s LEU 986 Cb -0.45 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 43.90 2wc0 s LEU 986 CO 0.42 0.07 1.09 -2.84 0.23 0.00 0.00 176.35 175.33 2wc0 s PRO 987 N -3.09 1.75 -0.04 1.29 0.02 -1.26 -4.97 135.00 128.70 2wc0 s PRO 987 Ca 0.28 1.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.07 2wc0 s PRO 987 Cb -0.09 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 2wc0 s PRO 987 CO 0.19 -1.97 2.04 -1.14 -0.33 0.00 0.00 177.00 175.80 2wc0 s GLN 988 N -4.89 3.85 0.84 5.54 2.00 -1.26 -4.99 119.66 120.74 2wc0 s GLN 988 Ca 0.62 2.44 -0.12 0.00 -2.00 0.00 0.00 55.36 56.31 2wc0 s GLN 988 Cb -0.18 -4.22 0.09 0.00 0.80 0.00 0.00 33.01 29.50 2wc0 s GLN 988 CO 0.57 -1.29 1.11 -1.25 -0.50 0.00 0.00 175.29 173.92 2wc0 s PRO 989 N 5.01 1.76 -0.25 1.67 0.04 -1.26 -4.89 135.00 137.07 2wc0 s PRO 989 Ca 0.92 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 2wc0 s PRO 989 Cb -0.40 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2wc0 s PRO 989 CO 0.40 -1.83 0.31 -2.00 0.04 0.00 0.00 177.00 173.91 2wc0 s GLU 990 N -5.16 4.04 -0.36 4.56 2.12 -0.42 -4.94 118.70 118.55 2wc0 s GLU 990 Ca 0.62 -0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.61 2wc0 s GLU 990 Cb -0.15 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.64 2wc0 s GLU 990 CO 0.54 -0.16 1.05 0.08 -0.54 0.00 0.00 175.26 176.23 2wc0 s VAL 991 N 1.71 4.47 0.06 3.70 1.01 -1.26 -1.82 120.40 128.28 2wc0 s VAL 991 Ca 0.13 1.54 -0.31 0.00 0.00 0.00 0.00 61.98 63.34 2wc0 s VAL 991 Cb -0.15 -4.43 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 2wc0 s VAL 991 CO 0.09 -0.58 1.65 -0.63 0.00 0.00 0.00 175.10 175.63 2wc0 s ILE 992 N 3.75 3.07 -0.12 2.22 1.01 0.12 -4.87 121.20 126.38 2wc0 s ILE 992 Ca 0.44 0.50 0.16 0.00 0.00 0.00 0.00 60.65 61.75 2wc0 s ILE 992 Cb -0.11 -3.32 -0.24 0.00 0.01 0.00 0.00 42.46 38.80 2wc0 s ILE 992 CO 0.19 -0.00 0.37 1.67 0.00 0.00 0.00 174.94 177.16 2wc0 n GLN 993 N 5.70 0.66 -3.61 2.79 -0.06 -1.26 -4.71 117.38 116.88 2wc0 n GLN 993 Ca 0.16 0.14 -0.01 0.00 -2.00 0.00 0.00 57.00 55.29 2wc0 n GLN 993 Cb 0.41 -1.65 -0.04 0.00 -4.06 0.00 0.00 30.24 24.89 2wc0 n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2wc0 s ASN 994 N -5.76 -1.16 0.10 1.69 3.84 -1.26 -5.08 114.94 107.30 2wc0 s ASN 994 Ca -0.07 1.53 -0.27 0.00 0.21 0.00 0.00 52.86 54.25 2wc0 s ASN 994 Cb 0.07 2.30 -0.12 0.00 -0.55 0.00 0.00 41.25 42.95 2wc0 s ASN 994 CO 0.83 -0.22 1.65 0.24 -2.79 0.00 0.00 177.10 176.81 2wc0 h MET 995 N 8.00 -0.46 -0.72 0.43 2.86 -2.00 -2.49 114.93 120.54 2wc0 h MET 995 Ca -0.18 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.65 2wc0 h MET 995 Cb 1.10 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 32.75 2wc0 h MET 995 CO 0.11 -0.31 0.06 1.15 1.06 0.00 0.00 176.91 178.98 2wc0 h THR 996 N -0.48 0.42 0.80 2.22 2.02 -1.98 -2.56 112.91 113.35 2wc0 h THR 996 Ca -0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2wc0 h THR 996 Cb 0.45 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2wc0 h THR 996 CO -0.06 0.03 -0.41 -0.33 0.37 0.00 0.00 175.52 175.12 2wc0 h GLU 997 N 0.15 -1.06 -0.77 6.66 5.08 -1.91 -0.90 114.58 121.83 2wc0 h GLU 997 Ca 0.40 0.07 0.31 0.00 -1.00 0.00 0.00 59.36 59.14 2wc0 h GLU 997 Cb 0.69 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.07 2wc0 h GLU 997 CO -0.59 -0.71 0.45 0.34 -1.00 0.00 0.00 179.01 177.49 2wc0 n PHE 998 N -5.04 0.72 -0.03 4.33 7.35 -0.97 -0.83 117.46 122.99 2wc0 n PHE 998 Ca -0.14 0.73 -0.14 0.00 -0.76 0.00 0.00 57.45 57.15 2wc0 n PHE 998 Cb 0.44 -1.15 -0.10 0.00 0.35 0.00 0.00 39.48 39.02 2wc0 n PHE 998 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2wc0 h LYS 999 N 0.00 0.15 -0.96 -4.13 1.57 -0.95 -3.34 116.57 108.91 2wc0 h LYS 999 Ca 0.60 -0.11 0.13 0.00 -1.87 0.00 0.00 60.65 59.40 2wc0 h LYS 999 Cb 1.69 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.93 2wc0 h LYS 999 CO -0.48 0.74 0.58 0.00 -0.57 0.00 0.00 179.45 179.73 2wc0 h ARG 1000N -0.42 0.85 -0.08 3.15 3.08 0.14 -2.53 114.38 118.57 2wc0 h ARG 1000Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wc0 h ARG 1000Cb 0.76 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2wc0 h ARG 1000CO 0.03 0.56 0.00 0.41 -1.07 0.00 0.00 179.97 179.90 2wc0 n GLY 1001N -1.34 -0.60 3.21 0.04 0.00 -0.01 -4.87 105.19 101.62 2wc0 n GLY 1001Ca 0.19 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.06 2.44 0.89 0.99 1.43 -0.96 -5.07 118.68 117.34 2wc0 s LEU 1002Ca 0.08 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2wc0 s LEU 1002Cb 0.04 -0.36 0.13 0.00 0.03 0.00 0.00 46.19 46.02 2wc0 s LEU 1002CO 0.06 -0.25 1.09 -2.84 0.23 0.00 0.00 176.35 174.64 2wc0 s PRO 1003N -3.00 1.28 0.06 1.29 0.02 -1.26 -4.84 135.00 128.55 2wc0 s PRO 1003Ca 0.09 0.96 0.04 0.00 0.02 0.00 0.00 61.00 62.11 2wc0 s PRO 1003Cb -0.02 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 2wc0 s PRO 1003CO 0.01 -2.26 -0.03 -0.51 -0.33 0.00 0.00 177.00 173.87 2wc0 s LEU 1004N -6.27 3.32 0.77 -5.54 1.43 -1.26 -0.84 118.68 110.29 2wc0 s LEU 1004Ca 0.64 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2wc0 s LEU 1004Cb -0.19 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.08 2wc0 s LEU 1004CO 0.57 0.21 1.10 -0.36 0.23 0.00 0.00 176.35 178.11 2wc0 s PHE 1005N -1.19 2.49 1.13 0.29 0.40 -0.24 -4.84 117.98 116.01 2wc0 s PHE 1005Ca 0.22 1.58 -0.13 0.00 -0.60 0.00 0.00 56.93 57.99 2wc0 s PHE 1005Cb -0.11 -3.10 0.26 0.00 0.51 0.00 0.00 43.02 40.58 2wc0 s PHE 1005CO 0.14 -1.89 1.05 -2.14 0.70 0.00 0.00 175.22 173.08 2wc0 s PRO 1006N -4.76 -0.61 0.40 0.24 0.02 -1.26 -4.62 135.00 124.42 2wc0 s PRO 1006Ca 0.63 0.62 -0.13 0.00 0.02 0.00 0.00 61.00 62.13 2wc0 s PRO 1006Cb -0.18 -1.61 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 2wc0 s PRO 1006CO 0.54 -3.46 0.80 -0.51 -0.33 0.00 0.00 177.00 174.05 2wc0 s LEU 1007N -6.97 3.86 0.38 -5.54 2.01 -1.26 -4.83 118.68 106.32 2wc0 s LEU 1007Ca 0.67 1.26 -0.26 0.00 0.01 0.00 0.00 54.13 55.82 2wc0 s LEU 1007Cb -0.22 -4.13 -0.09 0.00 0.01 0.00 0.00 46.19 41.77 2wc0 s LEU 1007CO 0.62 -0.38 1.14 -0.69 1.01 0.00 0.00 176.35 178.05 2wc0 s VAL 1008N -2.31 3.29 0.30 -1.59 1.01 -1.26 -5.02 120.40 114.81 2wc0 s VAL 1008Ca 0.54 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 2wc0 s VAL 1008Cb -0.10 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2wc0 s VAL 1008CO 0.27 0.12 1.05 -0.54 0.00 0.00 0.00 175.10 175.99 2wc0 s LYS 1009N -2.19 4.58 0.20 2.72 1.02 -1.26 -4.92 119.74 119.90 2wc0 s LYS 1009Ca 0.55 1.65 -0.32 0.00 0.02 0.00 0.00 55.97 57.86 2wc0 s LYS 1009Cb -0.30 -3.05 -0.14 0.00 -0.52 0.00 0.00 37.83 33.83 2wc0 s LYS 1009CO 0.37 0.21 1.45 -2.30 -0.92 0.00 0.00 175.35 174.16 2wc0 n PRO 1010N 0.95 1.99 0.00 -1.68 -0.02 -1.25 -4.82 135.00 130.17 2wc0 n PRO 1010Ca 0.00 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2wc0 n PRO 1010Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2wc0 n PRO 1010CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2wc0 n HIS 1011N 2.43 0.00 0.00 6.00 -0.00 -1.05 -5.04 115.22 117.56 2wc0 n HIS 1011Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2wc0 n HIS 1011Cb 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 2wc0 n HIS 1011CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24