#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgz s ASN 44 N 0.00 6.07 0.49 0.53 3.84 -1.26 -5.00 114.94 119.61 3hgz s ASN 44 Ca 0.00 -0.39 0.14 0.00 0.21 0.00 0.00 52.86 52.82 3hgz s ASN 44 Cb 0.00 -2.14 1.15 0.00 -0.55 0.00 0.00 41.25 39.71 3hgz s ASN 44 CO 0.00 -0.24 2.11 1.55 -2.79 0.00 0.00 177.10 177.73 3hgz h PRO 45 N 8.48 0.17 -0.01 0.43 0.13 -2.05 -3.08 132.00 136.07 3hgz h PRO 45 Ca -0.31 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 3hgz h PRO 45 Cb 1.16 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3hgz h PRO 45 CO 0.64 0.11 -0.60 0.00 -0.23 0.00 0.00 178.00 177.92 3hgz h ALA 46 N 1.90 0.97 -2.86 -0.56 0.00 -1.99 -3.43 119.26 113.29 3hgz h ALA 46 Ca 0.06 -0.55 -0.61 0.00 0.00 0.00 0.00 54.91 53.82 3hgz h ALA 46 Cb 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.62 3hgz h ALA 46 CO -0.01 0.75 -0.24 0.42 0.00 0.00 0.00 179.25 180.17 3hgz s ILE 47 N -3.67 5.21 0.10 0.00 1.01 -1.16 0.13 121.20 122.82 3hgz s ILE 47 Ca -0.02 0.63 -0.13 0.00 0.00 0.00 0.00 60.65 61.13 3hgz s ILE 47 Cb 0.13 -3.70 -0.17 0.00 0.01 0.00 0.00 42.46 38.73 3hgz s ILE 47 CO 0.77 0.24 1.29 0.50 0.00 0.00 0.00 174.94 177.74 3hgz h LYS 48 N 7.52 0.78 -1.94 2.79 3.64 -0.55 -3.43 116.57 125.38 3hgz h LYS 48 Ca -0.35 -0.67 0.12 0.00 -1.27 0.00 0.00 60.65 58.48 3hgz h LYS 48 Cb 1.16 0.15 -0.18 0.00 -0.41 0.00 0.00 32.23 32.95 3hgz h LYS 48 CO 0.70 1.27 0.55 -0.98 -2.27 0.00 0.00 179.45 178.72 3hgz s ARG 49 N -3.68 0.68 -0.09 1.90 1.70 -1.04 -4.98 118.95 113.43 3hgz s ARG 49 Ca -0.10 -0.13 -0.03 0.00 -0.47 0.00 0.00 55.73 55.00 3hgz s ARG 49 Cb 0.08 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 3hgz s ARG 49 CO 0.91 -0.27 0.05 0.42 -1.08 0.00 0.00 175.30 175.33 3hgz s ILE 50 N -2.35 4.71 0.97 4.99 1.09 -1.26 -1.11 121.20 128.24 3hgz s ILE 50 Ca 0.03 -0.13 -0.16 0.00 -1.10 0.00 0.00 60.65 59.30 3hgz s ILE 50 Cb -0.01 -3.02 0.19 0.00 -1.06 0.00 0.00 42.46 38.56 3hgz s ILE 50 CO -0.05 0.58 1.26 -0.83 -0.10 0.00 0.00 174.94 175.81 3hgz s GLY 51 N -1.02 1.72 0.69 6.18 0.00 -0.57 -4.95 107.32 109.37 3hgz s GLY 51 Ca 0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.72 3hgz s GLY 51 CO 0.04 -0.32 0.93 0.70 0.00 0.00 0.00 173.10 174.46 3hgz n ASN 52 N -3.84 0.35 -4.06 1.64 4.13 -1.26 -4.82 115.26 107.41 3hgz n ASN 52 Ca 0.13 -1.51 -0.56 0.00 1.68 0.00 0.00 54.58 54.32 3hgz n ASN 52 Cb 0.60 -0.69 -0.08 0.00 -1.54 0.00 0.00 39.78 38.07 3hgz n ASN 52 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3hgz n HIS 53 N -3.13 1.17 -2.86 3.10 -0.00 -1.26 -4.74 115.22 107.50 3hgz n HIS 53 Ca 0.13 0.97 -0.42 0.00 -0.00 0.00 0.00 57.72 58.40 3hgz n HIS 53 Cb 0.44 -1.90 -0.04 0.00 -0.00 0.00 0.00 29.99 28.49 3hgz n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hgz s ILE 54 N 1.65 4.84 -0.19 3.57 1.09 -1.26 -4.78 121.20 126.12 3hgz s ILE 54 Ca 0.87 1.66 -0.29 0.00 -1.10 0.00 0.00 60.65 61.79 3hgz s ILE 54 Cb -1.23 -4.15 -0.03 0.00 -1.06 0.00 0.00 42.46 35.98 3hgz s ILE 54 CO 0.63 -0.03 1.64 -0.89 -0.10 0.00 0.00 174.94 176.19 3hgz s THR 55 N 2.49 3.66 0.31 2.92 2.01 -0.97 -4.94 115.64 121.13 3hgz s THR 55 Ca 0.38 0.75 0.09 0.00 0.31 0.00 0.00 61.69 63.23 3hgz s THR 55 Cb -0.16 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3hgz s THR 55 CO 0.10 -0.24 -0.01 -1.59 -0.69 0.00 0.00 174.62 172.19 3hgz s LYS 56 N 4.60 2.12 0.46 4.92 -2.85 -1.26 -4.39 119.74 123.33 3hgz s LYS 56 Ca 0.72 -1.63 -0.25 0.00 -1.00 0.00 0.00 55.97 53.81 3hgz s LYS 56 Cb -0.27 -2.00 -0.08 0.00 -2.06 0.00 0.00 37.83 33.43 3hgz s LYS 56 CO 0.29 0.23 1.37 0.45 0.10 0.00 0.00 175.35 177.79 3hgz s SER 57 N -3.69 5.88 0.61 0.03 0.15 -1.26 -4.89 113.70 110.52 3hgz s SER 57 Ca 0.33 2.79 0.38 0.00 0.70 0.00 0.00 55.95 60.16 3hgz s SER 57 Cb -0.03 -2.64 1.96 0.00 -1.71 0.00 0.00 66.02 63.59 3hgz s SER 57 CO 0.19 -1.16 2.21 1.55 1.20 0.00 0.00 173.24 177.23 3hgz h PRO 58 N 2.23 0.00 0.00 5.44 0.13 -1.93 -0.01 132.00 137.85 3hgz h PRO 58 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3hgz h PRO 58 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hgz h PRO 58 CO 0.61 0.02 -0.11 0.93 -0.23 0.00 0.00 178.00 179.21 3hgz h GLU 59 N 0.00 0.00 -6.34 0.86 4.39 -1.91 -3.44 114.58 108.14 3hgz h GLU 59 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3hgz h GLU 59 Cb 0.20 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3hgz h GLU 59 CO 0.00 0.11 1.04 0.34 -1.16 0.00 0.00 179.01 179.34 3hgz s ASP 60 N -6.08 6.53 0.20 1.42 -1.08 -0.02 -4.89 116.67 112.76 3hgz s ASP 60 Ca 0.03 1.31 0.18 0.00 -0.52 0.00 0.00 52.55 53.55 3hgz s ASP 60 Cb 0.08 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 39.01 3hgz s ASP 60 CO 0.63 -1.18 1.18 0.50 0.52 0.00 0.00 175.17 176.82 3hgz h LYS 61 N 9.96 0.00 -7.14 4.34 1.63 -1.85 -3.47 116.57 120.04 3hgz h LYS 61 Ca -0.29 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 58.97 3hgz h LYS 61 Cb 1.12 0.00 0.19 0.00 -0.60 0.00 0.00 32.23 32.93 3hgz h LYS 61 CO 1.03 0.30 0.24 0.54 -3.45 0.00 0.00 179.45 178.10 3hgz n ARG 62 N -3.01 0.16 -4.39 1.90 1.74 -1.26 -5.03 116.66 106.76 3hgz n ARG 62 Ca -0.02 0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 3hgz n ARG 62 Cb 0.72 -2.37 -0.12 0.00 -1.02 0.00 0.00 32.46 29.68 3hgz n ARG 62 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hgz s GLU 63 N -4.00 1.70 0.02 5.56 2.02 -0.17 -4.96 118.70 118.88 3hgz s GLU 63 Ca 0.72 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3hgz s GLU 63 Cb -0.29 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3hgz s GLU 63 CO 0.52 0.48 -0.06 0.71 0.02 0.00 0.00 175.26 176.93 3hgz s TYR 64 N -1.08 0.54 -0.04 1.61 1.51 -1.26 0.11 117.35 118.74 3hgz s TYR 64 Ca 0.16 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3hgz s TYR 64 Cb -0.10 -0.34 0.03 0.00 -0.11 0.00 0.00 41.96 41.44 3hgz s TYR 64 CO 0.08 -0.06 0.07 0.50 -1.11 0.00 0.00 175.55 175.04 3hgz s ARG 65 N -0.95 -0.02 0.13 -0.62 3.52 -0.54 -4.63 118.95 115.84 3hgz s ARG 65 Ca -0.05 0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 55.81 3hgz s ARG 65 Cb -0.07 -0.32 -0.05 0.00 -1.56 0.00 0.00 34.95 32.95 3hgz s ARG 65 CO 0.00 -0.23 0.37 0.20 -0.81 0.00 0.00 175.30 174.83 3hgz s GLY 66 N 1.55 2.24 0.16 8.12 0.00 -1.26 -0.59 107.32 117.55 3hgz s GLY 66 Ca -0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 3hgz s GLY 66 CO -0.04 -0.46 0.85 0.48 0.00 0.00 0.00 173.10 173.93 3hgz s LEU 67 N -2.53 -0.27 -0.09 0.66 0.05 -0.16 -1.50 118.68 114.84 3hgz s LEU 67 Ca 0.39 -0.35 0.01 0.00 0.05 0.00 0.00 54.13 54.23 3hgz s LEU 67 Cb -0.12 2.33 0.02 0.00 -2.05 0.00 0.00 46.19 46.36 3hgz s LEU 67 CO 0.24 -0.98 -0.13 -0.70 -0.55 0.00 0.00 176.35 174.23 3hgz s GLU 68 N -3.47 1.90 0.84 1.48 2.12 -0.27 -0.61 118.70 120.68 3hgz s GLU 68 Ca 0.10 -0.45 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 3hgz s GLU 68 Cb -0.02 -1.66 0.09 0.00 0.26 0.00 0.00 34.13 32.80 3hgz s GLU 68 CO 0.00 -0.07 1.09 -0.51 -0.54 0.00 0.00 175.26 175.23 3hgz s LEU 69 N 1.02 2.51 0.24 2.70 1.43 -0.18 0.01 118.68 126.41 3hgz s LEU 69 Ca -0.07 1.45 -0.06 0.00 -1.03 0.00 0.00 54.13 54.42 3hgz s LEU 69 Cb -0.15 -4.00 0.23 0.00 0.03 0.00 0.00 46.19 42.31 3hgz s LEU 69 CO -0.01 -2.26 1.88 0.00 0.23 0.00 0.00 176.35 176.19 3hgz h ALA 70 N -1.28 1.20 0.00 4.21 0.00 0.80 -0.70 119.26 123.49 3hgz h ALA 70 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3hgz h ALA 70 Cb 1.27 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hgz h ALA 70 CO 0.56 0.67 0.00 0.27 0.00 0.00 0.00 179.25 180.75 3hgz n ASN 71 N -4.34 0.00 0.00 0.00 0.23 -1.26 -4.87 115.26 105.02 3hgz n ASN 71 Ca 0.10 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.42 3hgz n ASN 71 Cb 0.07 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3hgz n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hgz n GLY 72 N 0.25 0.41 3.72 4.83 0.00 -0.27 -3.70 105.19 110.43 3hgz n GLY 72 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hgz n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgz s ILE 73 N -2.14 2.56 0.12 -0.61 1.01 -1.23 -4.70 121.20 116.20 3hgz s ILE 73 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 60.65 60.82 3hgz s ILE 73 Cb 0.00 -3.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 3hgz s ILE 73 CO 0.00 0.03 0.71 -0.54 0.00 0.00 0.00 174.94 175.14 3hgz s LYS 74 N 0.99 4.44 -0.03 2.79 1.02 -0.78 -1.01 119.74 127.17 3hgz s LYS 74 Ca 0.69 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.69 3hgz s LYS 74 Cb -0.44 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.63 3hgz s LYS 74 CO 0.33 0.55 0.01 0.08 -0.92 0.00 0.00 175.35 175.40 3hgz s VAL 75 N -0.96 0.08 -0.15 3.17 1.01 0.22 -0.80 120.40 122.96 3hgz s VAL 75 Ca 0.34 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 3hgz s VAL 75 Cb -0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3hgz s VAL 75 CO 0.23 0.13 -0.06 -0.22 0.00 0.00 0.00 175.10 175.18 3hgz s LEU 76 N 1.11 3.06 -0.13 3.92 1.98 -0.57 -0.98 118.68 127.07 3hgz s LEU 76 Ca -0.09 -0.21 -0.02 0.00 -2.89 0.00 0.00 54.13 50.92 3hgz s LEU 76 Cb -0.13 -1.73 -0.02 0.00 0.66 0.00 0.00 46.19 44.96 3hgz s LEU 76 CO -0.02 0.15 -0.06 -0.76 -1.89 0.00 0.00 176.35 173.76 3hgz s LEU 77 N 0.48 3.12 -0.16 -0.68 1.43 0.25 -1.66 118.68 121.45 3hgz s LEU 77 Ca -0.05 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3hgz s LEU 77 Cb -0.15 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3hgz s LEU 77 CO 0.03 0.21 -0.19 -0.63 0.23 0.00 0.00 176.35 176.00 3hgz s ILE 78 N 0.12 1.92 -0.25 -0.59 1.01 0.70 -1.46 121.20 122.65 3hgz s ILE 78 Ca -0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 3hgz s ILE 78 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3hgz s ILE 78 CO 0.03 0.52 0.11 -0.55 0.00 0.00 0.00 174.94 175.05 3hgz s SER 79 N 1.20 5.52 -0.41 3.58 0.15 0.12 -1.92 113.70 121.93 3hgz s SER 79 Ca 0.01 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.58 3hgz s SER 79 Cb -0.14 -2.00 0.14 0.00 -1.71 0.00 0.00 66.02 62.31 3hgz s SER 79 CO -0.09 -0.01 0.24 -0.62 1.20 0.00 0.00 173.24 173.96 3hgz s ASP 80 N 1.49 3.31 0.32 5.45 -1.08 -0.65 -1.00 116.67 124.51 3hgz s ASP 80 Ca 0.06 -2.51 0.19 0.00 -0.52 0.00 0.00 52.55 49.77 3hgz s ASP 80 Cb -0.15 -0.78 1.04 0.00 -1.46 0.00 0.00 42.92 41.57 3hgz s ASP 80 CO 0.06 -0.27 1.56 -2.65 0.52 0.00 0.00 175.17 174.38 3hgz n PRO 81 N 3.66 0.13 0.05 4.34 -0.02 -1.26 -1.30 135.00 140.60 3hgz n PRO 81 Ca 0.11 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3hgz n PRO 81 Cb 0.36 -1.99 0.08 0.00 -0.02 0.00 0.00 33.50 31.94 3hgz n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hgz n THR 82 N -2.20 0.31 -1.98 3.45 -2.24 -1.26 -4.91 114.28 105.44 3hgz n THR 82 Ca -0.01 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 3hgz n THR 82 Cb 0.11 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 3hgz n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hgz s THR 83 N -3.21 2.44 -0.10 4.28 -1.32 -0.42 -4.95 115.64 112.36 3hgz s THR 83 Ca 0.04 0.43 -0.03 0.00 -1.21 0.00 0.00 61.69 60.92 3hgz s THR 83 Cb 0.13 -3.26 -0.26 0.00 -1.51 0.00 0.00 72.50 67.60 3hgz s THR 83 CO 0.77 0.09 0.44 0.47 -2.21 0.00 0.00 174.62 174.17 3hgz n ASP 84 N 0.39 1.88 -4.63 8.08 8.00 -1.26 -4.78 116.55 124.23 3hgz n ASP 84 Ca 0.02 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.47 3hgz n ASP 84 Cb 0.42 -0.71 -0.09 0.00 -0.02 0.00 0.00 41.12 40.71 3hgz n ASP 84 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hgz s LYS 85 N -2.57 2.52 0.43 -1.24 1.02 -1.26 -1.71 119.74 116.93 3hgz s LYS 85 Ca -0.19 -0.78 0.08 0.00 0.02 0.00 0.00 55.97 55.10 3hgz s LYS 85 Cb 0.07 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3hgz s LYS 85 CO 0.78 0.57 0.49 -1.12 -0.92 0.00 0.00 175.35 175.16 3hgz s SER 86 N -1.79 5.31 -0.02 2.83 0.01 0.58 -4.77 113.70 115.85 3hgz s SER 86 Ca 0.20 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 3hgz s SER 86 Cb -0.11 -0.52 0.07 0.00 0.21 0.00 0.00 66.02 65.66 3hgz s SER 86 CO 0.12 -0.76 0.67 -0.55 0.41 0.00 0.00 173.24 173.13 3hgz s SER 87 N -4.26 -0.65 0.08 2.44 0.15 -0.42 -1.25 113.70 109.79 3hgz s SER 87 Ca 0.51 0.61 -0.09 0.00 0.70 0.00 0.00 55.95 57.69 3hgz s SER 87 Cb -0.06 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3hgz s SER 87 CO 0.31 -0.66 0.20 0.00 1.20 0.00 0.00 173.24 174.29 3hgz s ALA 88 N -1.56 -0.29 -0.01 5.45 0.00 -0.98 -0.08 121.76 124.29 3hgz s ALA 88 Ca -0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 3hgz s ALA 88 Cb -0.00 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3hgz s ALA 88 CO 0.07 -0.49 0.23 0.00 0.00 0.00 0.00 175.76 175.57 3hgz s ALA 89 N -3.59 -0.56 -0.02 0.00 0.00 -0.37 -1.89 121.76 115.34 3hgz s ALA 89 Ca 0.03 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.17 3hgz s ALA 89 Cb 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3hgz s ALA 89 CO -0.10 -0.23 -0.13 -1.17 0.00 0.00 0.00 175.76 174.14 3hgz s LEU 90 N -1.25 1.99 -0.11 0.00 0.20 0.39 -1.19 118.68 118.72 3hgz s LEU 90 Ca -0.13 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.45 3hgz s LEU 90 Cb -0.06 -0.70 0.02 0.00 -0.43 0.00 0.00 46.19 45.02 3hgz s LEU 90 CO 0.03 0.15 -0.10 -0.62 -0.29 0.00 0.00 176.35 175.52 3hgz s ASP 91 N -0.22 2.15 -0.12 3.68 2.15 -0.03 -0.45 116.67 123.83 3hgz s ASP 91 Ca 0.03 -0.33 -0.10 0.00 0.43 0.00 0.00 52.55 52.58 3hgz s ASP 91 Cb -0.06 -0.88 -0.05 0.00 -0.30 0.00 0.00 42.92 41.63 3hgz s ASP 91 CO -0.00 -0.07 0.22 -0.69 -0.17 0.00 0.00 175.17 174.45 3hgz s VAL 92 N 1.43 5.36 0.00 1.11 1.01 0.26 -1.27 120.40 128.31 3hgz s VAL 92 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 3hgz s VAL 92 Cb -0.13 -3.52 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 3hgz s VAL 92 CO -0.06 0.52 2.84 1.57 0.00 0.00 0.00 175.10 179.97 3hgz n HIS 93 N 2.63 0.00 -4.12 5.22 -0.00 0.11 -1.20 115.22 117.86 3hgz n HIS 93 Ca -0.16 -1.22 -0.14 0.00 0.46 0.00 0.00 57.72 56.66 3hgz n HIS 93 Cb 0.53 -1.15 -0.13 0.00 -0.12 0.00 0.00 29.99 29.13 3hgz n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3hgz s ILE 94 N 0.82 0.50 0.00 3.57 -1.09 -0.76 -4.77 121.20 119.47 3hgz s ILE 94 Ca 0.40 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 3hgz s ILE 94 Cb 0.19 -0.50 0.00 0.00 -1.58 0.00 0.00 42.46 40.57 3hgz s ILE 94 CO 0.00 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.18 3hgz n GLY 95 N 2.15 3.05 0.26 6.18 0.00 -1.22 -1.86 105.19 113.74 3hgz n GLY 95 Ca -0.18 -1.02 0.17 0.00 0.00 0.00 0.00 46.02 44.99 3hgz n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hgz h SER 96 N 0.00 0.00 0.59 1.61 4.64 -1.38 0.20 113.55 119.21 3hgz h SER 96 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hgz h SER 96 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hgz h SER 96 CO 0.00 0.00 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.85 3hgz h LEU 97 N 0.00 0.00 -3.38 5.97 4.07 -1.53 -1.48 115.31 118.96 3hgz h LEU 97 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hgz h LEU 97 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3hgz h LEU 97 CO 0.00 0.04 0.00 -1.20 -1.08 0.00 0.00 178.44 176.20 3hgz n SER 98 N -3.22 5.40 -4.77 -0.43 7.64 0.72 -4.90 113.62 114.07 3hgz n SER 98 Ca -0.01 -2.83 -0.41 0.00 1.01 0.00 0.00 58.87 56.63 3hgz n SER 98 Cb 0.23 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 3hgz n SER 98 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hgz s ASP 99 N -0.75 6.64 0.26 6.43 -0.00 -0.56 -4.96 116.67 123.73 3hgz s ASP 99 Ca 0.51 2.79 -0.30 0.00 -0.00 0.00 0.00 52.55 55.55 3hgz s ASP 99 Cb 0.39 -2.65 -0.14 0.00 -0.00 0.00 0.00 42.92 40.52 3hgz s ASP 99 CO 0.16 -0.65 1.22 -0.81 -0.00 0.00 0.00 175.17 175.09 3hgz n PRO 100 N 0.88 1.68 0.09 8.23 -0.04 -1.26 -4.87 135.00 139.70 3hgz n PRO 100 Ca 0.01 0.59 0.03 0.00 -0.04 0.00 0.00 63.50 64.10 3hgz n PRO 100 Cb 0.41 -2.12 0.43 0.00 -0.04 0.00 0.00 33.50 32.18 3hgz n PRO 100 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3hgz h PRO 101 N 3.08 0.33 -0.00 0.54 0.11 -1.99 -1.76 132.00 132.32 3hgz h PRO 101 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hgz h PRO 101 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hgz h PRO 101 CO 0.68 0.33 -0.00 0.27 -0.21 0.00 0.00 178.00 179.06 3hgz n ASN 102 N -4.38 0.02 -3.38 -2.05 2.04 -1.26 -4.35 115.26 101.88 3hgz n ASN 102 Ca 0.00 -0.27 -0.26 0.00 -0.44 0.00 0.00 54.58 53.62 3hgz n ASN 102 Cb 0.17 -0.24 -0.09 0.00 -2.53 0.00 0.00 39.78 37.08 3hgz n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3hgz n ILE 103 N -1.24 -0.60 -1.73 1.53 5.41 -0.66 -4.89 119.36 117.18 3hgz n ILE 103 Ca 0.16 -3.83 -0.42 0.00 1.00 0.00 0.00 62.75 59.65 3hgz n ILE 103 Cb 0.23 -1.82 -0.02 0.00 -0.71 0.00 0.00 39.64 37.32 3hgz n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hgz n ALA 104 N 2.23 2.23 -0.74 -1.39 0.00 -1.26 -2.52 120.51 119.06 3hgz n ALA 104 Ca 0.26 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3hgz n ALA 104 Cb 0.48 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3hgz n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgz n GLY 105 N 2.04 0.60 0.21 0.00 0.00 -1.20 -4.31 105.19 102.52 3hgz n GLY 105 Ca 0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3hgz n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hgz h LEU 106 N 0.00 0.61 -0.97 0.99 5.85 -1.77 0.18 115.31 120.20 3hgz h LEU 106 Ca 0.00 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 3hgz h LEU 106 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hgz h LEU 106 CO 0.00 0.59 -0.40 0.77 -0.34 0.00 0.00 178.44 179.07 3hgz h SER 107 N 0.58 0.24 -0.43 1.25 4.64 -1.89 0.46 113.55 118.40 3hgz h SER 107 Ca 0.15 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3hgz h SER 107 Cb 0.17 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3hgz h SER 107 CO -0.01 0.62 0.21 -0.74 -0.87 0.00 0.00 176.83 176.03 3hgz h HIS 108 N 0.20 0.61 -0.06 4.77 -0.00 -1.73 -0.57 115.15 118.37 3hgz h HIS 108 Ca 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3hgz h HIS 108 Cb 0.79 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.01 3hgz h HIS 108 CO 0.01 0.50 0.04 0.35 -0.00 0.00 0.00 177.93 178.83 3hgz h PHE 109 N 0.55 0.08 -0.95 5.26 3.57 0.07 -1.82 116.94 123.70 3hgz h PHE 109 Ca 0.15 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.82 3hgz h PHE 109 Cb 0.12 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3hgz h PHE 109 CO -0.01 0.11 0.60 1.25 -2.23 0.00 0.00 178.31 178.03 3hgz h LEU 110 N 0.03 0.68 -0.29 0.59 6.46 0.12 -0.89 115.31 122.02 3hgz h LEU 110 Ca 0.02 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3hgz h LEU 110 Cb 0.05 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 3hgz h LEU 110 CO -0.00 0.30 0.10 -0.61 -0.62 0.00 0.00 178.44 177.60 3hgz h GLN 111 N 0.69 0.44 -1.00 1.25 4.15 -0.28 -1.40 115.11 118.96 3hgz h GLN 111 Ca 0.50 -0.09 0.08 0.00 0.77 0.00 0.00 58.65 59.91 3hgz h GLN 111 Cb 0.86 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.41 3hgz h GLN 111 CO -0.26 0.49 0.65 0.45 -1.93 0.00 0.00 178.83 178.22 3hgz h HIS 112 N 0.31 1.19 0.00 3.99 3.86 -0.64 -3.18 115.15 120.68 3hgz h HIS 112 Ca 0.09 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 3hgz h HIS 112 Cb 0.22 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3hgz h HIS 112 CO 0.00 0.58 -0.59 0.52 0.86 0.00 0.00 177.93 179.30 3hgz h MET 113 N 1.13 0.00 0.00 2.45 2.86 -0.55 -3.16 114.93 117.66 3hgz h MET 113 Ca 0.45 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 3hgz h MET 113 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3hgz h MET 113 CO -0.20 0.59 -0.03 -0.07 1.06 0.00 0.00 176.91 178.26 3hgz h LEU 114 N 0.00 0.00 0.00 1.22 3.38 -1.40 -0.89 115.31 117.62 3hgz h LEU 114 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hgz h LEU 114 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hgz h LEU 114 CO 0.08 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.13 3hgz n PHE 115 N -3.55 0.00 -0.93 1.13 3.01 -1.19 -4.07 117.46 111.85 3hgz n PHE 115 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 3hgz n PHE 115 Cb 0.13 -0.15 0.30 0.00 -0.01 0.00 0.00 39.48 39.75 3hgz n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hgz n LEU 116 N -1.15 4.36 0.00 4.37 4.77 -0.34 -4.68 117.00 124.33 3hgz n LEU 116 Ca 0.17 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 3hgz n LEU 116 Cb 0.16 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3hgz n LEU 116 CO 0.18 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3hgz n GLY 117 N -0.13 4.25 3.48 -0.72 0.00 -1.25 -4.29 105.19 106.52 3hgz n GLY 117 Ca 0.23 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 3hgz n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hgz s THR 118 N -0.99 1.41 0.24 2.61 -4.23 -0.93 -0.43 115.64 113.32 3hgz s THR 118 Ca 0.00 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 3hgz s THR 118 Cb 0.00 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.29 3hgz s THR 118 CO 0.00 -0.05 1.89 0.50 -0.54 0.00 0.00 174.62 176.42 3hgz h LYS 119 N 2.08 1.11 0.00 3.99 3.64 -1.37 -0.77 116.57 125.26 3hgz h LYS 119 Ca -0.41 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 3hgz h LYS 119 Cb 1.24 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3hgz h LYS 119 CO 0.71 0.73 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.95 3hgz h LYS 120 N 1.14 0.00 -2.19 1.90 3.64 -1.96 -3.37 116.57 115.72 3hgz h LYS 120 Ca 0.36 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 59.16 3hgz h LYS 120 Cb -0.00 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.43 3hgz h LYS 120 CO -0.12 0.46 -1.03 0.66 -2.27 0.00 0.00 179.45 177.15 3hgz n TYR 121 N -3.22 -0.59 0.37 1.91 4.02 -1.00 -5.02 117.16 113.62 3hgz n TYR 121 Ca 0.02 -3.44 0.13 0.00 -0.01 0.00 0.00 57.90 54.60 3hgz n TYR 121 Cb 0.71 -0.04 0.55 0.00 -0.02 0.00 0.00 39.34 40.53 3hgz n TYR 121 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hgz h PRO 122 N 4.84 0.00 -6.43 -0.72 0.13 -1.33 -2.46 132.00 126.03 3hgz h PRO 122 Ca 0.17 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.77 3hgz h PRO 122 Cb 0.89 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.04 3hgz h PRO 122 CO 0.42 0.00 0.95 0.21 -0.23 0.00 0.00 178.00 179.35 3hgz s LYS 123 N -3.41 4.22 0.49 0.86 2.20 -1.26 -4.62 119.74 118.22 3hgz s LYS 123 Ca 0.03 2.22 0.36 0.00 -0.36 0.00 0.00 55.97 58.22 3hgz s LYS 123 Cb 0.09 -3.59 1.51 0.00 -1.51 0.00 0.00 37.83 34.34 3hgz s LYS 123 CO 0.43 -0.68 1.66 1.49 -0.36 0.00 0.00 175.35 177.89 3hgz h GLU 124 N 8.16 0.07 0.00 4.03 4.81 -1.87 -1.22 114.58 128.55 3hgz h GLU 124 Ca -0.41 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3hgz h GLU 124 Cb 1.19 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 3hgz h GLU 124 CO 0.92 0.05 -0.47 0.27 -0.73 0.00 0.00 179.01 179.05 3hgz n ASN 125 N -4.37 1.41 -0.27 1.04 2.04 -1.26 -3.94 115.26 109.92 3hgz n ASN 125 Ca 0.36 -2.90 0.04 0.00 -0.44 0.00 0.00 54.58 51.64 3hgz n ASN 125 Cb 1.50 -0.39 0.18 0.00 -2.53 0.00 0.00 39.78 38.55 3hgz n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3hgz h GLU 126 N 0.51 0.59 0.71 -3.83 4.57 -1.54 0.63 114.58 116.23 3hgz h GLU 126 Ca -0.05 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3hgz h GLU 126 Cb 1.26 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.73 3hgz h GLU 126 CO 0.02 0.39 -0.34 -0.92 -1.18 0.00 0.00 179.01 176.98 3hgz h TYR 127 N 0.61 -0.88 -0.70 0.92 5.03 -1.86 0.17 116.97 120.26 3hgz h TYR 127 Ca 0.41 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.82 3hgz h TYR 127 Cb 0.51 0.29 -0.13 0.00 1.55 0.00 0.00 36.73 38.95 3hgz h TYR 127 CO -0.10 -0.52 -0.30 1.03 -1.32 0.00 0.00 178.16 176.95 3hgz h SER 128 N -1.15 -1.05 -0.41 -2.11 0.87 -1.82 -2.00 113.55 105.87 3hgz h SER 128 Ca -0.10 0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3hgz h SER 128 Cb 0.75 0.57 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 3hgz h SER 128 CO 0.16 -0.29 -0.16 -0.61 -0.53 0.00 0.00 176.83 175.40 3hgz h GLN 129 N -0.09 0.83 -1.01 2.24 4.15 -0.73 -1.47 115.11 119.03 3hgz h GLN 129 Ca 0.29 -0.35 0.08 0.00 0.77 0.00 0.00 58.65 59.44 3hgz h GLN 129 Cb 0.56 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.15 3hgz h GLN 129 CO -0.76 0.98 0.65 0.35 -1.93 0.00 0.00 178.83 178.12 3hgz h PHE 130 N 0.64 1.20 0.01 3.99 3.57 -0.37 -1.56 116.94 124.41 3hgz h PHE 130 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hgz h PHE 130 Cb 0.71 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3hgz h PHE 130 CO 0.05 0.59 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.65 3hgz h LEU 131 N 1.14 -0.01 -0.52 0.59 3.38 -1.13 -2.96 115.31 115.80 3hgz h LEU 131 Ca 0.45 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3hgz h LEU 131 Cb 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3hgz h LEU 131 CO -0.19 0.45 -0.01 -1.28 0.09 0.00 0.00 178.44 177.49 3hgz h SER 132 N -0.46 -0.25 -0.34 -0.43 0.87 -0.98 0.26 113.55 112.22 3hgz h SER 132 Ca -0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3hgz h SER 132 Cb 0.46 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3hgz h SER 132 CO 0.00 -0.09 0.00 -1.84 -0.53 0.00 0.00 176.83 174.37 3hgz n GLU 133 N -5.25 2.39 -0.85 2.24 0.28 -0.61 -3.33 120.64 115.50 3hgz n GLU 133 Ca 0.06 -1.47 0.05 0.00 -0.16 0.00 0.00 57.16 55.63 3hgz n GLU 133 Cb 0.29 -1.57 0.08 0.00 1.43 0.00 0.00 31.44 31.67 3hgz n GLU 133 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hgz n HIS 134 N 0.47 0.00 -1.46 -1.84 8.25 -0.11 -4.70 115.22 115.83 3hgz n HIS 134 Ca 0.13 -0.74 -0.13 0.00 -0.26 0.00 0.00 57.72 56.73 3hgz n HIS 134 Cb 0.51 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 3hgz n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hgz n ALA 135 N -0.32 -0.21 -3.18 -1.41 0.00 -0.89 -0.83 120.51 113.67 3hgz n ALA 135 Ca 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 3hgz n ALA 135 Cb 0.86 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.86 3hgz n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgz n GLY 136 N -1.37 2.27 3.73 0.00 0.00 0.74 -4.36 105.19 106.20 3hgz n GLY 136 Ca -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.71 3hgz n GLY 136 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgz s SER 137 N -1.54 -0.11 0.04 1.61 1.04 -0.71 -4.24 113.70 109.78 3hgz s SER 137 Ca 0.08 -0.34 -0.27 0.00 0.48 0.00 0.00 55.95 55.90 3hgz s SER 137 Cb -0.01 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.56 3hgz s SER 137 CO 0.05 -0.70 0.68 -0.55 0.98 0.00 0.00 173.24 173.71 3hgz s SER 138 N -3.02 -0.57 0.20 7.02 0.15 -1.26 -1.29 113.70 114.92 3hgz s SER 138 Ca 0.14 0.31 -0.10 0.00 0.70 0.00 0.00 55.95 57.00 3hgz s SER 138 Cb 0.01 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 3hgz s SER 138 CO 0.00 -0.75 0.52 -3.20 1.20 0.00 0.00 173.24 171.01 3hgz n ASN 139 N 0.21 -1.27 -3.48 5.45 2.85 -0.57 -5.00 115.26 113.46 3hgz n ASN 139 Ca -0.17 -1.82 -0.12 0.00 -0.11 0.00 0.00 54.58 52.36 3hgz n ASN 139 Cb 0.61 2.09 -0.03 0.00 1.24 0.00 0.00 39.78 43.69 3hgz n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hgz s ALA 140 N -1.64 -1.72 0.06 5.20 0.00 -1.26 -1.64 121.76 120.77 3hgz s ALA 140 Ca 0.11 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 3hgz s ALA 140 Cb -0.03 0.44 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 3hgz s ALA 140 CO 0.06 -0.62 0.18 -0.59 0.00 0.00 0.00 175.76 174.79 3hgz s PHE 141 N -2.81 0.11 -0.24 0.00 -0.71 -0.69 -4.99 117.98 108.66 3hgz s PHE 141 Ca -0.01 -0.44 0.02 0.00 -1.04 0.00 0.00 56.93 55.46 3hgz s PHE 141 Cb -0.01 -0.06 0.05 0.00 -1.21 0.00 0.00 43.02 41.80 3hgz s PHE 141 CO -0.06 -0.48 -0.10 0.99 -1.34 0.00 0.00 175.22 174.24 3hgz s THR 142 N -3.19 1.88 0.72 -4.49 2.01 -1.26 -1.53 115.64 109.78 3hgz s THR 142 Ca -0.00 -1.35 0.01 0.00 0.31 0.00 0.00 61.69 60.66 3hgz s THR 142 Cb 0.02 -2.01 0.14 0.00 0.01 0.00 0.00 72.50 70.66 3hgz s THR 142 CO -0.07 0.02 0.99 -0.94 -0.69 0.00 0.00 174.62 173.93 3hgz s SER 143 N 1.25 4.32 0.61 3.53 1.04 -0.39 -4.86 113.70 119.21 3hgz s SER 143 Ca -0.06 -0.57 0.33 0.00 0.48 0.00 0.00 55.95 56.13 3hgz s SER 143 Cb -0.19 0.26 1.89 0.00 0.10 0.00 0.00 66.02 68.08 3hgz s SER 143 CO -0.06 -1.90 2.20 1.23 0.98 0.00 0.00 173.24 175.69 3hgz h GLY 144 N -0.49 0.00 0.00 7.32 0.00 -1.95 -2.55 103.07 105.40 3hgz h GLY 144 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3hgz h GLY 144 CO 0.38 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.10 3hgz n GLU 145 N -3.60 -0.22 -3.94 4.80 1.02 -1.26 -1.51 120.64 115.92 3hgz n GLU 145 Ca -0.01 -0.40 -0.10 0.00 -0.02 0.00 0.00 57.16 56.62 3hgz n GLU 145 Cb 0.18 -0.79 -0.12 0.00 -0.02 0.00 0.00 31.44 30.70 3hgz n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hgz s HIS 146 N -0.09 0.18 -0.09 -0.32 3.76 -1.16 -1.83 115.29 115.74 3hgz s HIS 146 Ca 0.00 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 3hgz s HIS 146 Cb 0.00 -0.13 0.02 0.00 1.11 0.00 0.00 32.58 33.58 3hgz s HIS 146 CO 0.00 -0.12 -0.10 0.99 -0.85 0.00 0.00 174.74 174.65 3hgz s THR 147 N -0.96 1.12 -0.12 1.30 2.01 -0.34 -1.26 115.64 117.38 3hgz s THR 147 Ca -0.10 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3hgz s THR 147 Cb -0.07 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.39 3hgz s THR 147 CO -0.01 0.37 -0.11 0.21 -0.69 0.00 0.00 174.62 174.40 3hgz s ASN 148 N 1.16 2.36 -0.10 3.53 3.84 -0.58 -0.57 114.94 124.58 3hgz s ASN 148 Ca -0.05 -0.37 0.03 0.00 0.21 0.00 0.00 52.86 52.68 3hgz s ASN 148 Cb -0.14 -0.97 0.00 0.00 -0.55 0.00 0.00 41.25 39.59 3hgz s ASN 148 CO -0.02 -0.08 -0.21 -0.31 -2.79 0.00 0.00 177.10 173.68 3hgz s TYR 149 N 1.55 2.36 0.08 0.43 1.51 0.41 -1.70 117.35 121.97 3hgz s TYR 149 Ca 0.04 -1.00 -0.11 0.00 -1.01 0.00 0.00 57.07 54.99 3hgz s TYR 149 Cb -0.13 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3hgz s TYR 149 CO -0.08 -0.43 0.25 1.52 -1.11 0.00 0.00 175.55 175.70 3hgz s TYR 150 N 0.50 0.02 0.11 2.71 -0.85 -0.65 -0.46 117.35 118.73 3hgz s TYR 150 Ca -0.16 -0.34 -0.16 0.00 -0.52 0.00 0.00 57.07 55.88 3hgz s TYR 150 Cb -0.17 0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.24 3hgz s TYR 150 CO 0.06 -0.55 0.41 -0.59 -1.52 0.00 0.00 175.55 173.36 3hgz s PHE 151 N -3.40 -0.22 0.28 -3.49 -0.12 -0.79 -1.51 117.98 108.74 3hgz s PHE 151 Ca 0.01 -0.06 0.09 0.00 -0.05 0.00 0.00 56.93 56.92 3hgz s PHE 151 Cb 0.02 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 3hgz s PHE 151 CO -0.09 -0.69 -0.13 0.16 -0.05 0.00 0.00 175.22 174.43 3hgz s ASP 152 N -2.69 3.25 0.19 1.98 3.84 -0.41 -2.31 116.67 120.51 3hgz s ASP 152 Ca 0.02 -1.11 -0.18 0.00 -0.00 0.00 0.00 52.55 51.28 3hgz s ASP 152 Cb 0.01 -0.25 0.03 0.00 -1.38 0.00 0.00 42.92 41.33 3hgz s ASP 152 CO -0.11 -0.15 0.53 0.54 -0.00 0.00 0.00 175.17 175.98 3hgz s VAL 153 N -2.73 0.03 0.55 2.11 0.11 -0.38 -1.74 120.40 118.34 3hgz s VAL 153 Ca 0.29 -0.72 -0.21 0.00 -2.93 0.00 0.00 61.98 58.41 3hgz s VAL 153 Cb -0.00 -1.53 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 3hgz s VAL 153 CO 0.13 -0.11 1.18 -0.24 -3.33 0.00 0.00 175.10 172.73 3hgz n SER 154 N -0.34 1.83 0.26 3.54 2.88 -0.01 -0.30 113.62 121.48 3hgz n SER 154 Ca -0.11 0.92 0.11 0.00 -1.33 0.00 0.00 58.87 58.46 3hgz n SER 154 Cb 0.63 -1.48 0.73 0.00 -0.75 0.00 0.00 64.21 63.33 3hgz n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3hgz h HIS 155 N 1.08 0.00 -0.66 0.66 2.07 -1.63 -1.82 115.15 114.85 3hgz h HIS 155 Ca -0.49 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 56.79 3hgz h HIS 155 Cb 1.33 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.17 3hgz h HIS 155 CO 0.42 0.00 0.30 -0.85 -3.07 0.00 0.00 177.93 174.73 3hgz n GLU 156 N -4.31 2.96 -1.21 5.12 0.28 -1.26 -3.70 120.64 118.52 3hgz n GLU 156 Ca -0.02 -2.49 0.03 0.00 -0.16 0.00 0.00 57.16 54.51 3hgz n GLU 156 Cb 0.12 -2.03 0.02 0.00 1.43 0.00 0.00 31.44 30.98 3hgz n GLU 156 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hgz n HIS 157 N -0.25 0.00 0.14 -1.84 8.25 -0.68 -4.89 115.22 115.94 3hgz n HIS 157 Ca 0.37 -0.39 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3hgz n HIS 157 Cb 1.27 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 32.19 3hgz n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hgz h LEU 158 N 0.73 -0.92 -0.76 2.41 6.46 -1.69 -1.97 115.31 119.58 3hgz h LEU 158 Ca -0.16 0.08 0.18 0.00 -0.12 0.00 0.00 57.88 57.86 3hgz h LEU 158 Cb 1.75 0.32 -0.13 0.00 -0.73 0.00 0.00 40.66 41.87 3hgz h LEU 158 CO 0.07 -0.39 0.07 -0.08 -0.62 0.00 0.00 178.44 177.49 3hgz h GLU 159 N -0.57 0.14 0.00 1.25 4.81 -1.90 0.48 114.58 118.80 3hgz h GLU 159 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hgz h GLU 159 Cb 0.52 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3hgz h GLU 159 CO -0.10 0.10 -0.00 0.78 -0.73 0.00 0.00 179.01 179.06 3hgz h GLY 160 N 0.15 -0.01 0.86 1.92 0.00 -1.91 0.17 103.07 104.25 3hgz h GLY 160 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 3hgz h GLY 160 CO -0.63 -0.00 0.03 0.00 0.00 0.00 0.00 176.54 175.94 3hgz h ALA 161 N 0.99 0.11 -0.39 3.60 0.00 -0.40 -2.87 119.26 120.31 3hgz h ALA 161 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3hgz h ALA 161 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hgz h ALA 161 CO -0.00 -0.30 0.06 1.25 0.00 0.00 0.00 179.25 180.25 3hgz h LEU 162 N -0.02 0.54 -0.24 0.00 5.85 0.13 0.31 115.31 121.88 3hgz h LEU 162 Ca 0.03 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hgz h LEU 162 Cb 0.17 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hgz h LEU 162 CO -0.00 0.57 0.00 -0.78 -0.34 0.00 0.00 178.44 177.89 3hgz h ASP 163 N 0.57 0.41 -0.27 1.25 -0.00 -0.60 0.14 116.42 117.92 3hgz h ASP 163 Ca 0.13 -0.30 -0.05 0.00 -0.00 0.00 0.00 57.03 56.80 3hgz h ASP 163 Cb 0.27 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.48 3hgz h ASP 163 CO 0.00 0.61 0.02 0.03 -0.00 0.00 0.00 179.24 179.90 3hgz h ARG 164 N 0.19 0.58 -0.23 0.28 3.08 -1.20 -2.88 114.38 114.20 3hgz h ARG 164 Ca 0.07 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3hgz h ARG 164 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3hgz h ARG 164 CO 0.01 0.59 -0.02 0.35 -1.07 0.00 0.00 179.97 179.84 3hgz h PHE 165 N 0.56 0.47 -0.60 3.04 3.04 -0.46 -3.02 116.94 119.96 3hgz h PHE 165 Ca 0.12 -0.09 0.07 0.00 3.98 0.00 0.00 57.97 62.05 3hgz h PHE 165 Cb 0.33 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 3hgz h PHE 165 CO 0.01 0.62 0.40 0.00 -2.02 0.00 0.00 178.31 177.32 3hgz h ALA 166 N 0.79 1.87 0.00 2.41 0.00 -0.51 -1.40 119.26 122.43 3hgz h ALA 166 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hgz h ALA 166 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hgz h ALA 166 CO 0.02 0.02 -0.02 1.96 0.00 0.00 0.00 179.25 181.23 3hgz h GLN 167 N 0.53 0.00 -0.49 0.00 1.08 -1.49 -0.01 115.11 114.73 3hgz h GLN 167 Ca 0.26 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.61 3hgz h GLN 167 Cb 0.36 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3hgz h GLN 167 CO -0.08 0.02 0.42 0.74 -0.95 0.00 0.00 178.83 178.98 3hgz h PHE 168 N 0.00 0.00 -0.26 2.96 -1.00 -1.39 -2.16 116.94 115.09 3hgz h PHE 168 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hgz h PHE 168 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 3hgz h PHE 168 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 3hgz n PHE 169 N -4.04 0.40 0.00 -0.55 3.72 -0.02 -4.33 117.46 112.64 3hgz n PHE 169 Ca 0.09 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 3hgz n PHE 169 Cb 0.62 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3hgz n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hgz n LEU 170 N 0.19 0.05 -2.79 4.37 4.77 -0.87 -4.84 117.00 117.89 3hgz n LEU 170 Ca 0.10 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 3hgz n LEU 170 Cb 0.43 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3hgz n LEU 170 CO 0.07 -0.07 0.16 -1.54 -1.33 0.00 0.00 177.39 174.68 3hgz n SER 171 N -2.99 -2.65 -4.77 -1.43 3.41 -0.89 -5.09 113.62 99.22 3hgz n SER 171 Ca 0.00 -3.27 -0.41 0.00 -0.26 0.00 0.00 58.87 54.93 3hgz n SER 171 Cb 0.44 1.64 -0.01 0.00 -0.26 0.00 0.00 64.21 66.02 3hgz n SER 171 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3hgz s PRO 172 N 0.54 4.13 0.33 4.33 0.04 -1.24 -0.98 135.00 142.15 3hgz s PRO 172 Ca 0.32 2.55 0.10 0.00 0.04 0.00 0.00 61.00 64.01 3hgz s PRO 172 Cb 0.23 -3.00 0.59 0.00 0.04 0.00 0.00 34.50 32.36 3hgz s PRO 172 CO -0.23 -0.55 1.77 -0.07 0.04 0.00 0.00 177.00 177.95 3hgz h LEU 173 N 3.85 0.12 -3.11 -3.56 3.38 -1.03 -3.45 115.31 111.51 3hgz h LEU 173 Ca -0.49 -0.04 -0.46 0.00 0.09 0.00 0.00 57.88 56.98 3hgz h LEU 173 Cb 1.23 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 3hgz h LEU 173 CO 0.71 0.50 -0.75 0.49 0.09 0.00 0.00 178.44 179.48 3hgz n PHE 174 N -4.06 -0.99 -1.57 1.13 3.01 -1.26 -4.80 117.46 108.91 3hgz n PHE 174 Ca -0.02 0.21 -0.44 0.00 1.01 0.00 0.00 57.45 58.21 3hgz n PHE 174 Cb 0.44 -2.07 -0.01 0.00 -0.01 0.00 0.00 39.48 37.82 3hgz n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hgz n ASP 175 N -1.66 1.03 -0.01 4.37 2.03 -1.26 -4.79 116.55 116.26 3hgz n ASP 175 Ca -0.15 1.16 -0.01 0.00 0.52 0.00 0.00 54.79 56.31 3hgz n ASP 175 Cb 0.46 -1.26 0.28 0.00 -0.72 0.00 0.00 41.12 39.88 3hgz n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3hgz h GLU 176 N 1.84 0.55 0.00 -0.67 4.57 -2.00 -0.23 114.58 118.64 3hgz h GLU 176 Ca -0.39 -0.12 -0.25 0.00 -1.18 0.00 0.00 59.36 57.42 3hgz h GLU 176 Cb 1.35 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 3hgz h GLU 176 CO 0.60 0.58 -1.50 0.66 -1.18 0.00 0.00 179.01 178.16 3hgz h SER 177 N 0.53 0.00 -0.38 1.04 4.64 -2.00 -2.83 113.55 114.55 3hgz h SER 177 Ca 0.11 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3hgz h SER 177 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 3hgz h SER 177 CO 0.01 0.88 0.15 0.00 -0.87 0.00 0.00 176.83 177.01 3hgz h ALA 178 N 1.12 0.45 -0.61 5.18 0.00 -1.91 -2.11 119.26 121.38 3hgz h ALA 178 Ca -0.21 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hgz h ALA 178 Cb 1.86 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 3hgz h ALA 178 CO 0.08 -0.23 0.35 -0.22 0.00 0.00 0.00 179.25 179.23 3hgz h LYS 179 N 0.32 0.65 -0.94 0.00 3.64 -1.02 0.05 116.57 119.28 3hgz h LYS 179 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3hgz h LYS 179 Cb 0.13 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3hgz h LYS 179 CO -0.16 0.43 0.60 -0.44 -2.27 0.00 0.00 179.45 177.62 3hgz h ASP 180 N 0.67 1.10 0.20 4.20 3.32 -1.26 -2.71 116.42 121.95 3hgz h ASP 180 Ca 0.26 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hgz h ASP 180 Cb 0.11 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3hgz h ASP 180 CO -0.14 0.81 -0.10 0.03 -1.72 0.00 0.00 179.24 178.12 3hgz h ARG 181 N 1.28 -0.26 -0.37 3.56 3.08 -0.97 -3.36 114.38 117.35 3hgz h ARG 181 Ca 0.34 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.52 3hgz h ARG 181 Cb -0.12 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3hgz h ARG 181 CO -0.07 -0.14 0.34 1.49 -1.07 0.00 0.00 179.97 180.52 3hgz h GLU 182 N -1.07 0.00 -0.40 0.04 4.57 -1.03 -0.67 114.58 116.03 3hgz h GLU 182 Ca -0.03 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.27 3hgz h GLU 182 Cb 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3hgz h GLU 182 CO 0.05 0.00 0.39 -0.24 -1.18 0.00 0.00 179.01 178.02 3hgz h VAL 183 N 0.00 0.47 -0.05 0.32 3.04 -1.62 -0.51 116.25 117.89 3hgz h VAL 183 Ca 0.17 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.66 3hgz h VAL 183 Cb 0.86 0.70 0.01 0.00 -2.01 0.00 0.00 31.29 30.85 3hgz h VAL 183 CO -0.00 0.00 -0.75 0.78 -1.01 0.00 0.00 177.57 176.59 3hgz h ASN 184 N 0.00 0.75 -0.42 3.17 4.21 -1.34 -1.31 115.58 120.64 3hgz h ASN 184 Ca 0.19 -0.70 0.08 0.00 1.21 0.00 0.00 56.30 57.08 3hgz h ASN 184 Cb 0.96 -0.23 -0.08 0.00 -1.12 0.00 0.00 38.32 37.86 3hgz h ASN 184 CO -0.00 1.34 -0.07 0.00 -1.29 0.00 0.00 177.43 177.41 3hgz h ALA 185 N 0.42 0.32 -0.15 -0.83 0.00 -1.22 0.17 119.26 117.97 3hgz h ALA 185 Ca -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hgz h ALA 185 Cb 1.41 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3hgz h ALA 185 CO 0.15 -0.43 0.07 0.28 0.00 0.00 0.00 179.25 179.32 3hgz h VAL 186 N 0.03 1.13 -0.66 0.00 2.07 -1.47 0.63 116.25 117.98 3hgz h VAL 186 Ca 0.21 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.49 3hgz h VAL 186 Cb 0.31 1.11 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 3hgz h VAL 186 CO -0.41 0.12 0.10 -0.78 0.02 0.00 0.00 177.57 176.62 3hgz h ASP 187 N 0.11 -0.09 -0.15 0.57 3.58 -0.56 -0.19 116.42 119.69 3hgz h ASP 187 Ca 0.05 0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.66 3hgz h ASP 187 Cb 0.13 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 3hgz h ASP 187 CO -0.01 -0.05 0.03 -1.28 -2.88 0.00 0.00 179.24 175.05 3hgz h SER 188 N 0.21 0.01 -0.22 2.28 0.87 -0.34 0.11 113.55 116.47 3hgz h SER 188 Ca 0.36 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 61.00 3hgz h SER 188 Cb 0.58 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.50 3hgz h SER 188 CO -0.49 0.03 -0.34 -0.08 -0.53 0.00 0.00 176.83 175.42 3hgz h GLU 189 N 0.10 -0.35 -0.88 2.24 4.81 -0.03 -0.59 114.58 119.88 3hgz h GLU 189 Ca 0.07 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hgz h GLU 189 Cb 0.06 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3hgz h GLU 189 CO -0.09 -0.23 0.58 1.25 -0.73 0.00 0.00 179.01 179.79 3hgz h HIS 190 N -0.36 1.10 -0.43 0.92 2.76 -0.86 -2.92 115.15 115.36 3hgz h HIS 190 Ca 0.12 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 3hgz h HIS 190 Cb 0.55 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 3hgz h HIS 190 CO -0.47 0.69 0.11 1.49 -1.30 0.00 0.00 177.93 178.45 3hgz h GLU 191 N 1.19 0.24 -0.86 5.26 4.57 0.10 -0.07 114.58 125.00 3hgz h GLU 191 Ca 0.33 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.66 3hgz h GLU 191 Cb -0.12 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.35 3hgz h GLU 191 CO -0.08 0.16 0.56 -0.22 -1.18 0.00 0.00 179.01 178.26 3hgz h LYS 192 N 0.25 0.50 0.00 1.92 3.64 -0.95 -2.39 116.57 119.55 3hgz h LYS 192 Ca 0.21 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3hgz h LYS 192 Cb 0.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hgz h LYS 192 CO -0.26 0.33 -0.24 -0.91 -2.27 0.00 0.00 179.45 176.11 3hgz h ASN 193 N 0.52 0.00 -0.48 4.20 2.35 -0.96 -3.40 115.58 117.81 3hgz h ASN 193 Ca 0.44 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.13 3hgz h ASN 193 Cb 0.91 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 3hgz h ASN 193 CO -0.18 0.04 0.28 0.58 -1.65 0.00 0.00 177.43 176.51 3hgz h VAL 194 N 0.00 1.05 -0.46 2.81 2.07 -0.87 -1.67 116.25 119.18 3hgz h VAL 194 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hgz h VAL 194 Cb 0.75 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3hgz h VAL 194 CO 0.00 0.10 0.00 0.23 0.02 0.00 0.00 177.57 177.92 3hgz n MET 195 N -4.82 2.23 -2.93 1.57 2.81 -1.26 -4.79 117.12 109.93 3hgz n MET 195 Ca 0.03 -1.89 -0.41 0.00 -1.81 0.00 0.00 57.70 53.61 3hgz n MET 195 Cb 0.07 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 3hgz n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hgz s ASN 196 N -1.18 6.91 0.37 7.83 2.47 -0.63 -4.83 114.94 125.87 3hgz s ASN 196 Ca 0.36 1.12 0.04 0.00 0.42 0.00 0.00 52.86 54.80 3hgz s ASN 196 Cb 0.20 -2.44 0.70 0.00 -1.45 0.00 0.00 41.25 38.26 3hgz s ASN 196 CO 0.26 -0.38 2.01 0.44 -3.72 0.00 0.00 177.10 175.71 3hgz h ASP 197 N 7.36 0.62 -0.40 -4.21 3.45 -1.89 -2.47 116.42 118.88 3hgz h ASP 197 Ca -0.30 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 3hgz h ASP 197 Cb 1.13 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.73 3hgz h ASP 197 CO 0.83 0.47 0.17 0.00 -1.57 0.00 0.00 179.24 179.14 3hgz h ALA 198 N 1.63 0.52 -0.42 3.45 0.00 -1.94 -2.35 119.26 120.15 3hgz h ALA 198 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3hgz h ALA 198 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hgz h ALA 198 CO -0.04 0.11 -0.32 -1.49 0.00 0.00 0.00 179.25 177.52 3hgz h TRP 199 N 0.50 1.11 -0.09 0.00 4.06 -1.75 -0.33 115.95 119.46 3hgz h TRP 199 Ca 0.13 -0.31 0.01 0.00 2.06 0.00 0.00 58.89 60.79 3hgz h TRP 199 Cb 0.17 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 3hgz h TRP 199 CO -0.00 1.13 0.02 0.00 -3.56 0.00 0.00 178.44 176.02 3hgz h ARG 200 N 0.79 0.05 -0.46 0.49 3.08 -1.43 -0.23 114.38 116.69 3hgz h ARG 200 Ca 0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3hgz h ARG 200 Cb 0.90 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3hgz h ARG 200 CO 0.08 0.03 0.23 -0.07 -1.07 0.00 0.00 179.97 179.18 3hgz h LEU 201 N 0.05 0.59 -0.47 3.04 4.07 -1.32 0.15 115.31 121.42 3hgz h LEU 201 Ca 0.04 -0.11 0.09 0.00 0.08 0.00 0.00 57.88 57.98 3hgz h LEU 201 Cb 0.03 -0.15 -0.09 0.00 1.08 0.00 0.00 40.66 41.53 3hgz h LEU 201 CO -0.05 0.53 -0.12 0.15 -1.08 0.00 0.00 178.44 177.87 3hgz h PHE 202 N 0.60 -0.27 -0.03 1.13 3.04 -0.69 -0.22 116.94 120.51 3hgz h PHE 202 Ca 0.16 0.04 -0.21 0.00 3.98 0.00 0.00 57.97 61.94 3hgz h PHE 202 Cb 0.09 0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.79 3hgz h PHE 202 CO -0.01 -0.21 -0.87 0.37 -2.02 0.00 0.00 178.31 175.57 3hgz h GLN 203 N -0.01 0.42 -0.89 1.11 5.75 -0.84 -3.20 115.11 117.46 3hgz h GLN 203 Ca 0.23 -0.41 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3hgz h GLN 203 Cb 0.35 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 3hgz h GLN 203 CO -0.49 1.07 0.57 1.25 -2.65 0.00 0.00 178.83 178.58 3hgz h LEU 204 N 0.25 0.94 -0.35 -2.39 5.85 -0.23 -0.23 115.31 119.15 3hgz h LEU 204 Ca -0.06 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hgz h LEU 204 Cb 1.49 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 3hgz h LEU 204 CO 0.15 0.64 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.73 3hgz h GLU 205 N 1.09 0.02 -0.39 1.25 4.81 -1.05 -2.18 114.58 118.13 3hgz h GLU 205 Ca 0.36 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 3hgz h GLU 205 Cb 0.04 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3hgz h GLU 205 CO -0.13 0.01 0.21 0.87 -0.73 0.00 0.00 179.01 179.24 3hgz h LYS 206 N 0.02 0.53 0.00 1.92 1.57 -1.11 -2.00 116.57 117.50 3hgz h LYS 206 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hgz h LYS 206 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hgz h LYS 206 CO -0.35 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 3hgz n ALA 207 N -2.48 2.22 0.33 3.86 0.00 -0.34 -3.44 120.51 120.67 3hgz n ALA 207 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.42 3hgz n ALA 207 Cb 0.10 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.20 3hgz n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hgz n THR 208 N -1.42 0.20 -2.88 0.00 -2.24 -0.75 -4.90 114.28 102.28 3hgz n THR 208 Ca 0.08 -0.60 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 3hgz n THR 208 Cb 0.26 1.09 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 3hgz n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgz n GLY 209 N 0.60 1.56 3.39 3.38 0.00 -1.22 -4.91 105.19 108.00 3hgz n GLY 209 Ca 0.07 -2.15 -0.60 0.00 0.00 0.00 0.00 46.02 43.35 3hgz n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hgz n ASN 210 N -2.62 1.10 0.27 1.61 5.15 -0.06 -4.80 115.26 115.91 3hgz n ASN 210 Ca 0.13 0.76 0.12 0.00 -0.60 0.00 0.00 54.58 54.99 3hgz n ASN 210 Cb 0.45 -0.96 0.76 0.00 -0.53 0.00 0.00 39.78 39.51 3hgz n ASN 210 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3hgz h PRO 211 N 8.58 0.00 0.00 1.20 0.11 -1.90 -2.22 132.00 137.77 3hgz h PRO 211 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 3hgz h PRO 211 Cb 1.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.50 3hgz h PRO 211 CO 1.05 0.08 -0.14 0.87 -0.21 0.00 0.00 178.00 179.66 3hgz h LYS 212 N 0.00 0.00 -6.77 1.05 6.56 -1.98 -3.45 116.57 111.97 3hgz h LYS 212 Ca -0.00 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.08 3hgz h LYS 212 Cb 0.20 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.87 3hgz h LYS 212 CO 0.01 0.14 0.47 -1.58 -2.06 0.00 0.00 179.45 176.43 3hgz s HIS 213 N -4.61 3.60 0.39 -1.35 2.46 -0.83 -4.93 115.29 110.01 3hgz s HIS 213 Ca -0.04 1.68 0.18 0.00 0.47 0.00 0.00 55.06 57.35 3hgz s HIS 213 Cb 0.15 -3.27 1.11 0.00 -0.13 0.00 0.00 32.58 30.44 3hgz s HIS 213 CO 0.66 -0.53 1.75 -1.35 -2.47 0.00 0.00 174.74 172.80 3hgz h PRO 214 N 4.13 0.37 -1.54 2.88 0.11 -1.88 -0.72 132.00 135.35 3hgz h PRO 214 Ca -0.46 -0.02 0.46 0.00 0.11 0.00 0.00 66.00 66.09 3hgz h PRO 214 Cb 1.21 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 3hgz h PRO 214 CO 0.68 0.25 1.08 0.35 -0.21 0.00 0.00 178.00 180.15 3hgz h PHE 215 N 0.39 0.19 -0.13 0.65 3.04 -1.91 -1.21 116.94 117.96 3hgz h PHE 215 Ca 0.62 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.58 3hgz h PHE 215 Cb 1.57 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 40.03 3hgz h PHE 215 CO -0.00 -0.06 0.00 -1.13 -2.02 0.00 0.00 178.31 175.10 3hgz n SER 216 N -4.26 0.84 -4.84 0.41 3.41 -0.28 -4.79 113.62 104.12 3hgz n SER 216 Ca 0.37 -1.84 -0.32 0.00 -0.26 0.00 0.00 58.87 56.81 3hgz n SER 216 Cb 1.60 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 65.41 3hgz n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hgz s LYS 217 N -1.82 4.05 -0.54 4.33 1.02 -0.46 -4.75 119.74 121.57 3hgz s LYS 217 Ca 0.18 1.00 -0.20 0.00 0.02 0.00 0.00 55.97 56.97 3hgz s LYS 217 Cb 0.09 -2.16 0.07 0.00 -0.52 0.00 0.00 37.83 35.31 3hgz s LYS 217 CO 0.13 -0.17 0.68 0.12 -0.92 0.00 0.00 175.35 175.19 3hgz s PHE 218 N -2.45 3.00 0.28 3.18 5.36 -1.26 -4.96 117.98 121.13 3hgz s PHE 218 Ca 0.60 -0.60 0.11 0.00 -0.96 0.00 0.00 56.93 56.08 3hgz s PHE 218 Cb -0.10 -3.72 0.37 0.00 -0.34 0.00 0.00 43.02 39.23 3hgz s PHE 218 CO 0.24 -1.15 1.62 0.78 -1.46 0.00 0.00 175.22 175.26 3hgz h GLY 219 N 9.94 0.00 0.57 13.12 0.00 -1.95 -3.17 103.07 121.59 3hgz h GLY 219 Ca -0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3hgz h GLY 219 CO 1.02 0.00 -0.21 -0.84 0.00 0.00 0.00 176.54 176.51 3hgz h THR 220 N 0.00 1.46 -0.50 4.70 2.02 -1.92 -3.34 112.91 115.33 3hgz h THR 220 Ca -0.01 -1.65 0.05 0.00 0.77 0.00 0.00 66.41 65.57 3hgz h THR 220 Cb 1.07 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 3hgz h THR 220 CO 0.08 0.46 -0.14 0.61 0.37 0.00 0.00 175.52 176.90 3hgz n GLY 221 N 0.68 -2.09 0.00 2.16 0.00 -1.25 -4.61 105.19 100.07 3hgz n GLY 221 Ca -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3hgz n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hgz n ASN 222 N -2.74 0.00 -0.30 1.61 0.23 -1.26 -4.68 115.26 108.12 3hgz n ASN 222 Ca -0.01 -0.73 -0.05 0.00 -0.53 0.00 0.00 54.58 53.27 3hgz n ASN 222 Cb 0.10 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 37.89 3hgz n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3hgz h LYS 223 N 0.00 1.19 0.17 -3.83 1.63 -1.89 -0.74 116.57 113.10 3hgz h LYS 223 Ca 0.00 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 3hgz h LYS 223 Cb 0.00 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 3hgz h LYS 223 CO 0.00 0.92 -0.08 -0.92 -3.45 0.00 0.00 179.45 175.92 3hgz h TYR 224 N 1.18 -0.21 0.00 1.91 3.20 -1.96 0.22 116.97 121.32 3hgz h TYR 224 Ca 0.28 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 3hgz h TYR 224 Cb 0.13 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3hgz h TYR 224 CO 0.02 -0.03 -0.51 1.79 -1.64 0.00 0.00 178.16 177.79 3hgz h THR 225 N -0.34 0.95 0.00 1.81 1.35 -1.86 0.32 112.91 115.13 3hgz h THR 225 Ca -0.02 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 3hgz h THR 225 Cb 0.27 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3hgz h THR 225 CO 0.04 0.50 -1.14 0.18 -0.25 0.00 0.00 175.52 174.85 3hgz n LEU 226 N -3.33 0.79 0.01 3.87 7.99 -0.29 -4.43 117.00 121.61 3hgz n LEU 226 Ca 0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 56.01 55.64 3hgz n LEU 226 Cb 0.69 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.98 3hgz n LEU 226 CO 0.40 0.19 0.00 1.21 -1.51 0.00 0.00 177.39 177.68 3hgz n GLU 227 N -1.65 0.00 -0.16 3.23 2.13 0.01 -4.78 120.64 119.42 3hgz n GLU 227 Ca 0.03 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.78 3hgz n GLU 227 Cb 0.37 -0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.03 3hgz n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3hgz h THR 228 N 0.00 0.00 -0.01 6.31 2.02 -1.41 -0.92 112.91 118.91 3hgz h THR 228 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hgz h THR 228 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3hgz h THR 228 CO 0.00 0.00 0.00 -0.09 0.37 0.00 0.00 175.52 175.80 3hgz h ARG 229 N -0.08 0.01 -0.44 6.66 2.43 -0.60 -2.38 114.38 119.98 3hgz h ARG 229 Ca 0.07 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 3hgz h ARG 229 Cb 0.25 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3hgz h ARG 229 CO -0.43 0.20 0.36 -1.35 -1.51 0.00 0.00 179.97 177.24 3hgz h PRO 230 N -0.18 0.00 0.05 0.20 0.11 -1.72 -1.26 132.00 129.19 3hgz h PRO 230 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hgz h PRO 230 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3hgz h PRO 230 CO -0.00 0.00 -0.02 -0.91 -0.21 0.00 0.00 178.00 176.86 3hgz h ASN 231 N 0.00 -0.06 -1.06 -2.05 -0.26 -0.68 0.17 115.58 111.63 3hgz h ASN 231 Ca 0.21 -0.52 0.29 0.00 -0.56 0.00 0.00 56.30 55.72 3hgz h ASN 231 Cb 0.93 0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 38.13 3hgz h ASN 231 CO -0.00 0.52 0.72 1.56 -1.06 0.00 0.00 177.43 179.16 3hgz h GLN 232 N -0.66 0.21 -0.65 0.81 4.20 -0.95 -1.15 115.11 116.93 3hgz h GLN 232 Ca -0.01 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 3hgz h GLN 232 Cb 0.57 -0.05 -0.12 0.00 0.30 0.00 0.00 27.48 28.19 3hgz h GLN 232 CO 0.01 0.14 0.21 0.39 -0.67 0.00 0.00 178.83 178.92 3hgz n GLU 233 N -4.44 3.42 -1.51 1.46 1.02 -0.53 -4.93 120.64 115.13 3hgz n GLU 233 Ca 0.24 -3.07 -0.18 0.00 -0.02 0.00 0.00 57.16 54.13 3hgz n GLU 233 Cb 1.00 -2.13 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 3hgz n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgz n GLY 234 N -0.32 1.70 3.74 0.62 0.00 -0.43 -4.98 105.19 105.52 3hgz n GLY 234 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 3hgz n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgz s ILE 235 N -2.51 4.13 -0.50 -0.61 -1.09 0.57 -5.02 121.20 116.17 3hgz s ILE 235 Ca 0.00 1.86 -0.18 0.00 -2.23 0.00 0.00 60.65 60.10 3hgz s ILE 235 Cb 0.00 -4.18 0.07 0.00 -1.58 0.00 0.00 42.46 36.77 3hgz s ILE 235 CO 0.00 0.33 0.53 -0.62 -1.23 0.00 0.00 174.94 173.95 3hgz s ASP 236 N -0.24 6.19 0.11 3.58 -1.08 -1.26 -4.59 116.67 119.37 3hgz s ASP 236 Ca 0.47 -1.16 -0.14 0.00 -0.52 0.00 0.00 52.55 51.20 3hgz s ASP 236 Cb -0.27 -2.25 -0.07 0.00 -1.46 0.00 0.00 42.92 38.88 3hgz s ASP 236 CO 0.33 -0.81 1.44 0.58 0.52 0.00 0.00 175.17 177.23 3hgz h VAL 237 N 5.83 1.29 -1.09 1.11 2.07 -1.94 -1.65 116.25 121.86 3hgz h VAL 237 Ca -0.28 -1.43 0.30 0.00 0.82 0.00 0.00 66.70 66.11 3hgz h VAL 237 Cb 1.10 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 32.29 3hgz h VAL 237 CO 0.94 0.46 0.71 -0.09 0.02 0.00 0.00 177.57 179.62 3hgz h ARG 238 N 0.50 0.31 0.28 1.57 2.43 -1.93 0.27 114.38 117.81 3hgz h ARG 238 Ca 0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hgz h ARG 238 Cb 0.84 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3hgz h ARG 238 CO 0.07 0.20 -0.14 1.96 -1.51 0.00 0.00 179.97 180.56 3hgz h GLN 239 N 0.32 -0.37 -0.95 0.20 1.08 -1.74 -1.12 115.11 112.53 3hgz h GLN 239 Ca 0.63 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.91 3hgz h GLN 239 Cb 1.73 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 29.18 3hgz h GLN 239 CO -0.30 -0.10 0.61 0.93 -0.95 0.00 0.00 178.83 179.01 3hgz h GLU 240 N -0.61 1.10 0.14 1.46 4.39 -0.42 1.12 114.58 121.76 3hgz h GLU 240 Ca -0.04 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3hgz h GLU 240 Cb 0.44 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3hgz h GLU 240 CO 0.06 0.73 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.51 3hgz h LEU 241 N 1.14 -0.16 -0.66 1.33 3.38 -0.62 0.25 115.31 119.97 3hgz h LEU 241 Ca 0.40 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.36 3hgz h LEU 241 Cb 0.11 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3hgz h LEU 241 CO -0.15 -0.03 0.35 -0.07 0.09 0.00 0.00 178.44 178.63 3hgz h LEU 242 N -0.28 0.51 -0.02 1.67 3.38 -0.22 -1.65 115.31 118.70 3hgz h LEU 242 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hgz h LEU 242 Cb 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hgz h LEU 242 CO 0.03 0.33 0.01 0.50 0.09 0.00 0.00 178.44 179.39 3hgz h LYS 243 N 0.65 0.04 -0.66 1.13 3.64 0.13 -1.66 116.57 119.85 3hgz h LYS 243 Ca 0.30 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3hgz h LYS 243 Cb 0.21 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3hgz h LYS 243 CO -0.20 0.26 0.27 0.35 -2.27 0.00 0.00 179.45 177.87 3hgz h PHE 244 N -0.19 0.99 -0.58 1.91 3.57 -0.83 0.12 116.94 121.92 3hgz h PHE 244 Ca 0.01 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3hgz h PHE 244 Cb 0.24 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3hgz h PHE 244 CO 0.01 0.77 0.34 1.25 -2.23 0.00 0.00 178.31 178.45 3hgz h HIS 245 N 0.92 0.76 -0.49 0.41 2.76 -1.26 0.31 115.15 118.57 3hgz h HIS 245 Ca 0.22 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 3hgz h HIS 245 Cb 0.19 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3hgz h HIS 245 CO 0.01 0.53 -0.08 1.03 -1.30 0.00 0.00 177.93 178.12 3hgz h SER 246 N 0.78 0.92 0.52 3.26 0.87 -0.85 0.13 113.55 119.18 3hgz h SER 246 Ca 0.21 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3hgz h SER 246 Cb -0.01 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.71 3hgz h SER 246 CO -0.04 1.05 -0.25 0.00 -0.53 0.00 0.00 176.83 177.06 3hgz h ALA 247 N 0.90 -0.70 0.00 6.23 0.00 -0.59 -3.41 119.26 121.69 3hgz h ALA 247 Ca 0.13 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hgz h ALA 247 Cb 0.63 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hgz h ALA 247 CO 0.04 -0.72 -2.00 0.66 0.00 0.00 0.00 179.25 177.23 3hgz n TYR 248 N -5.27 0.19 -0.75 0.00 4.02 0.08 -4.28 117.16 111.14 3hgz n TYR 248 Ca -0.10 0.06 -0.08 0.00 -0.01 0.00 0.00 57.90 57.77 3hgz n TYR 248 Cb 0.32 -0.77 -0.11 0.00 -0.02 0.00 0.00 39.34 38.75 3hgz n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hgz n TYR 249 N -2.53 0.00 -2.68 -0.72 0.53 0.46 -4.87 117.16 107.35 3hgz n TYR 249 Ca -0.14 -1.17 -0.38 0.00 -1.02 0.00 0.00 57.90 55.19 3hgz n TYR 249 Cb 0.81 -1.21 -0.06 0.00 -1.03 0.00 0.00 39.34 37.85 3hgz n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3hgz s SER 250 N 2.13 7.29 0.54 7.72 0.15 -1.26 -4.87 113.70 125.40 3hgz s SER 250 Ca 0.45 1.97 0.24 0.00 0.70 0.00 0.00 55.95 59.31 3hgz s SER 250 Cb 0.21 -2.60 1.41 0.00 -1.71 0.00 0.00 66.02 63.34 3hgz s SER 250 CO 0.00 -0.11 2.04 0.77 1.20 0.00 0.00 173.24 177.14 3hgz h SER 251 N 3.37 0.00 0.68 5.45 4.64 -1.52 -1.52 113.55 124.66 3hgz h SER 251 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hgz h SER 251 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hgz h SER 251 CO 0.65 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 3hgz n ASN 252 N -4.31 0.63 -1.55 4.97 6.94 -1.24 -2.43 115.26 118.25 3hgz n ASN 252 Ca 0.06 0.66 -0.05 0.00 -0.02 0.00 0.00 54.58 55.23 3hgz n ASN 252 Cb 0.47 -0.79 0.24 0.00 -2.36 0.00 0.00 39.78 37.35 3hgz n ASN 252 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3hgz n LEU 253 N -2.20 5.15 -4.09 -4.53 4.77 -0.57 -4.87 117.00 110.66 3hgz n LEU 253 Ca 0.02 -3.41 -0.25 0.00 -0.03 0.00 0.00 56.01 52.34 3hgz n LEU 253 Cb 0.22 -0.69 -0.16 0.00 -2.33 0.00 0.00 43.42 40.46 3hgz n LEU 253 CO 0.19 0.96 -0.48 -0.04 -1.33 0.00 0.00 177.39 176.68 3hgz s MET 254 N -3.09 1.64 0.01 3.23 -1.94 -1.02 0.07 119.30 118.20 3hgz s MET 254 Ca 0.50 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 54.04 3hgz s MET 254 Cb 0.42 -1.41 -0.02 0.00 2.01 0.00 0.00 34.83 35.82 3hgz s MET 254 CO 0.08 0.17 -0.25 0.00 -0.01 0.00 0.00 175.02 175.01 3hgz s ALA 255 N 0.21 2.13 -0.08 3.03 0.00 -0.40 -1.86 121.76 124.79 3hgz s ALA 255 Ca -0.06 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3hgz s ALA 255 Cb -0.12 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.52 3hgz s ALA 255 CO 0.02 0.51 -0.08 0.08 0.00 0.00 0.00 175.76 176.29 3hgz s VAL 256 N -0.67 0.92 -0.08 0.00 1.01 0.02 -0.85 120.40 120.75 3hgz s VAL 256 Ca 0.10 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3hgz s VAL 256 Cb -0.10 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3hgz s VAL 256 CO 0.00 0.32 -0.16 -0.69 0.00 0.00 0.00 175.10 174.58 3hgz s VAL 257 N 1.14 2.86 -0.06 2.92 1.01 -0.33 -1.51 120.40 126.43 3hgz s VAL 257 Ca -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3hgz s VAL 257 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3hgz s VAL 257 CO -0.01 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3hgz s VAL 258 N -0.17 0.91 -0.11 2.92 1.01 -0.67 -1.24 120.40 123.06 3hgz s VAL 258 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3hgz s VAL 258 Cb -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.40 3hgz s VAL 258 CO 0.03 0.30 -0.21 -0.22 0.00 0.00 0.00 175.10 175.01 3hgz s LEU 259 N 0.71 1.98 0.25 3.92 0.20 0.89 -0.22 118.68 126.40 3hgz s LEU 259 Ca -0.13 -0.51 -0.21 0.00 0.69 0.00 0.00 54.13 53.97 3hgz s LEU 259 Cb -0.15 -1.29 0.06 0.00 -0.43 0.00 0.00 46.19 44.38 3hgz s LEU 259 CO 0.02 0.10 0.92 -0.83 -0.29 0.00 0.00 176.35 176.27 3hgz s GLY 260 N 0.61 0.10 0.47 7.98 0.00 -0.81 -1.30 107.32 114.36 3hgz s GLY 260 Ca -0.13 -0.37 0.26 0.00 0.00 0.00 0.00 44.72 44.48 3hgz s GLY 260 CO 0.04 0.89 1.87 3.21 0.00 0.00 0.00 173.10 179.10 3hgz h ARG 261 N 2.00 0.00 -7.17 2.90 3.08 -1.85 -1.72 114.38 111.62 3hgz h ARG 261 Ca -0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.26 3hgz h ARG 261 Cb 1.23 0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.49 3hgz h ARG 261 CO 0.34 0.17 0.05 0.39 -1.07 0.00 0.00 179.97 179.85 3hgz n GLU 262 N -3.33 -0.58 -0.71 0.04 4.71 -1.26 -4.24 120.64 115.27 3hgz n GLU 262 Ca 0.00 -0.11 -0.31 0.00 -0.01 0.00 0.00 57.16 56.74 3hgz n GLU 262 Cb 0.40 -2.27 0.17 0.00 -1.01 0.00 0.00 31.44 28.73 3hgz n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hgz s SER 263 N -2.51 2.73 0.32 1.62 1.04 -1.26 -4.65 113.70 110.98 3hgz s SER 263 Ca 0.65 2.07 0.02 0.00 0.48 0.00 0.00 55.95 59.17 3hgz s SER 263 Cb -0.23 -2.53 0.59 0.00 0.10 0.00 0.00 66.02 63.95 3hgz s SER 263 CO 0.60 -3.21 1.93 -0.07 0.98 0.00 0.00 173.24 173.48 3hgz h LEU 264 N -1.94 0.84 -0.36 2.42 3.38 -1.95 0.17 115.31 117.86 3hgz h LEU 264 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3hgz h LEU 264 Cb 1.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3hgz h LEU 264 CO 0.43 0.55 0.15 0.44 0.09 0.00 0.00 178.44 180.10 3hgz h ASP 265 N 0.95 0.49 -0.25 -0.43 3.32 -1.99 0.23 116.42 118.75 3hgz h ASP 265 Ca 0.36 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3hgz h ASP 265 Cb 0.18 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3hgz h ASP 265 CO -0.12 0.52 0.08 0.44 -1.72 0.00 0.00 179.24 178.43 3hgz h ASP 266 N 0.44 0.37 -0.81 6.45 3.32 -1.80 -1.30 116.42 123.08 3hgz h ASP 266 Ca 0.12 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hgz h ASP 266 Cb 0.17 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3hgz h ASP 266 CO -0.01 0.47 0.53 -0.07 -1.72 0.00 0.00 179.24 178.45 3hgz h LEU 267 N 0.25 0.86 0.36 1.55 3.38 -0.59 -1.59 115.31 119.52 3hgz h LEU 267 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hgz h LEU 267 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hgz h LEU 267 CO -0.00 0.59 -0.25 0.74 0.09 0.00 0.00 178.44 179.61 3hgz h THR 268 N 1.00 0.48 -0.99 0.22 2.02 -0.05 -0.56 112.91 115.04 3hgz h THR 268 Ca 0.32 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.56 3hgz h THR 268 Cb 0.05 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 3hgz h THR 268 CO -0.10 0.00 0.64 0.78 0.37 0.00 0.00 175.52 177.21 3hgz h ASN 269 N -0.59 1.05 0.50 4.18 2.35 -0.99 -0.73 115.58 121.34 3hgz h ASN 269 Ca -0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3hgz h ASN 269 Cb 0.50 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3hgz h ASN 269 CO 0.02 0.69 -0.25 0.25 -1.65 0.00 0.00 177.43 176.49 3hgz h LEU 270 N 1.20 -0.61 -0.50 1.61 6.46 -1.15 0.12 115.31 122.44 3hgz h LEU 270 Ca 0.41 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.17 3hgz h LEU 270 Cb 0.08 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 3hgz h LEU 270 CO -0.15 -0.42 0.21 0.58 -0.62 0.00 0.00 178.44 178.04 3hgz h VAL 271 N -0.69 1.21 0.16 1.05 2.07 -0.74 -1.96 116.25 117.35 3hgz h VAL 271 Ca -0.07 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.83 3hgz h VAL 271 Cb 0.54 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3hgz h VAL 271 CO 0.10 0.24 -0.39 0.58 0.02 0.00 0.00 177.57 178.13 3hgz h VAL 272 N 0.67 0.21 -0.51 2.57 2.07 -1.09 -0.94 116.25 119.22 3hgz h VAL 272 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 3hgz h VAL 272 Cb 0.18 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.07 3hgz h VAL 272 CO -0.02 0.00 -0.49 0.50 0.02 0.00 0.00 177.57 177.59 3hgz h LYS 273 N -0.64 -0.28 0.00 1.57 3.64 -0.52 -2.35 116.57 117.98 3hgz h LYS 273 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hgz h LYS 273 Cb 0.66 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hgz h LYS 273 CO -0.20 -0.19 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.61 3hgz h LEU 274 N -0.29 0.00 0.00 5.20 3.38 -1.24 -3.40 115.31 118.95 3hgz h LEU 274 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hgz h LEU 274 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hgz h LEU 274 CO -0.65 0.01 -0.15 0.49 0.09 0.00 0.00 178.44 178.22 3hgz n PHE 275 N -2.65 0.00 1.12 1.13 3.01 -0.37 -4.62 117.46 115.08 3hgz n PHE 275 Ca 0.04 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.65 3hgz n PHE 275 Cb 0.48 0.00 0.66 0.00 -0.01 0.00 0.00 39.48 40.61 3hgz n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3hgz n SER 276 N -1.01 0.00 -0.31 4.37 3.41 -0.91 -2.57 113.62 116.60 3hgz n SER 276 Ca 0.00 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 58.97 3hgz n SER 276 Cb 0.00 -0.44 0.13 0.00 -0.26 0.00 0.00 64.21 63.64 3hgz n SER 276 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hgz n GLU 277 N -1.44 1.39 -2.74 4.33 0.28 -1.26 -4.79 120.64 116.41 3hgz n GLU 277 Ca 0.09 -0.60 -0.42 0.00 -0.16 0.00 0.00 57.16 56.07 3hgz n GLU 277 Cb 0.31 -1.16 -0.03 0.00 1.43 0.00 0.00 31.44 31.99 3hgz n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3hgz s VAL 278 N -1.79 4.83 0.23 3.84 1.01 -1.06 -4.98 120.40 122.47 3hgz s VAL 278 Ca 0.14 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 3hgz s VAL 278 Cb 0.07 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 3hgz s VAL 278 CO 0.10 0.06 1.25 -0.70 0.00 0.00 0.00 175.10 175.81 3hgz s GLU 279 N 1.71 4.45 -0.63 2.72 2.12 -1.26 -4.64 118.70 123.17 3hgz s GLU 279 Ca 0.47 2.00 -0.22 0.00 0.36 0.00 0.00 54.97 57.59 3hgz s GLU 279 Cb -0.19 -3.18 0.08 0.00 0.26 0.00 0.00 34.13 31.10 3hgz s GLU 279 CO 0.20 -0.13 0.88 1.21 -0.54 0.00 0.00 175.26 176.87 3hgz s ASN 280 N -0.02 6.19 -0.10 -1.70 3.84 -1.26 -1.48 114.94 120.40 3hgz s ASN 280 Ca 0.53 -1.07 0.11 0.00 0.21 0.00 0.00 52.86 52.63 3hgz s ASN 280 Cb -0.35 -2.38 0.49 0.00 -0.55 0.00 0.00 41.25 38.45 3hgz s ASN 280 CO 0.41 -1.32 1.32 1.17 -2.79 0.00 0.00 177.10 175.88 3hgz n LYS 281 N 7.27 3.01 -4.40 0.43 3.00 -1.26 -4.92 118.16 121.29 3hgz n LYS 281 Ca -0.05 -1.91 -0.37 0.00 -0.00 0.00 0.00 58.31 55.98 3hgz n LYS 281 Cb 0.45 -1.78 -0.09 0.00 0.00 0.00 0.00 35.03 33.61 3hgz n LYS 281 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3hgz n ASN 282 N 0.57 -0.50 -4.71 3.14 3.02 -1.26 -4.91 115.26 110.62 3hgz n ASN 282 Ca 0.17 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.06 3hgz n ASN 282 Cb 0.70 -1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.27 3hgz n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hgz s VAL 283 N -3.76 4.51 0.30 2.41 1.01 -1.26 -4.99 120.40 118.63 3hgz s VAL 283 Ca 0.43 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.92 3hgz s VAL 283 Cb -0.25 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 3hgz s VAL 283 CO 1.00 0.11 1.54 -2.16 0.00 0.00 0.00 175.10 175.59 3hgz s PRO 284 N 1.25 4.15 -0.10 2.72 0.04 -1.26 -4.90 135.00 136.90 3hgz s PRO 284 Ca 0.54 2.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.81 3hgz s PRO 284 Cb -0.24 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 3hgz s PRO 284 CO 0.27 -0.57 1.23 -1.17 0.04 0.00 0.00 177.00 176.80 3hgz s LEU 285 N -0.85 4.24 0.43 -3.56 1.98 -1.26 -4.97 118.68 114.69 3hgz s LEU 285 Ca 0.60 1.77 -0.26 0.00 -2.89 0.00 0.00 54.13 53.35 3hgz s LEU 285 Cb -0.46 -3.55 -0.09 0.00 0.66 0.00 0.00 46.19 42.74 3hgz s LEU 285 CO 0.50 -0.65 1.46 -2.84 -1.89 0.00 0.00 176.35 172.93 3hgz s PRO 286 N 2.72 3.81 0.20 0.98 0.02 -1.26 -5.03 135.00 136.44 3hgz s PRO 286 Ca 0.55 2.49 0.08 0.00 0.02 0.00 0.00 61.00 64.14 3hgz s PRO 286 Cb -0.23 -2.75 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 3hgz s PRO 286 CO 0.19 -0.75 -0.15 -1.21 -0.33 0.00 0.00 177.00 174.75 3hgz s GLU 287 N -2.35 1.33 -0.39 5.54 8.01 -1.26 -4.86 118.70 124.71 3hgz s GLU 287 Ca 0.58 -1.57 0.10 0.00 0.01 0.00 0.00 54.97 54.10 3hgz s GLU 287 Cb -0.45 -1.16 0.30 0.00 -4.31 0.00 0.00 34.13 28.51 3hgz s GLU 287 CO 0.59 0.20 0.69 1.19 0.01 0.00 0.00 175.26 177.94 3hgz n PHE 288 N -0.29 -0.47 -0.21 1.61 3.72 -0.32 -4.98 117.46 116.52 3hgz n PHE 288 Ca -0.09 -3.47 0.09 0.00 -0.05 0.00 0.00 57.45 53.93 3hgz n PHE 288 Cb 0.60 -0.12 0.37 0.00 -0.94 0.00 0.00 39.48 39.39 3hgz n PHE 288 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3hgz h PRO 289 N 3.44 0.68 -6.15 -1.08 0.11 -1.82 -3.37 132.00 123.82 3hgz h PRO 289 Ca 0.06 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.56 3hgz h PRO 289 Cb 0.95 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 3hgz h PRO 289 CO 0.45 0.45 0.82 -1.21 -0.21 0.00 0.00 178.00 178.30 3hgz s GLU 290 N -5.65 4.27 0.12 1.05 0.41 -1.26 -4.81 118.70 112.83 3hgz s GLU 290 Ca -0.10 1.53 -0.31 0.00 -0.41 0.00 0.00 54.97 55.68 3hgz s GLU 290 Cb 0.20 -3.68 -0.08 0.00 -1.78 0.00 0.00 34.13 28.79 3hgz s GLU 290 CO 0.78 -0.62 1.47 -1.58 -0.49 0.00 0.00 175.26 174.82 3hgz s HIS 291 N 3.14 3.07 0.00 1.61 2.46 -1.26 -4.86 115.29 119.46 3hgz s HIS 291 Ca 0.50 0.77 0.26 0.00 0.47 0.00 0.00 55.06 57.06 3hgz s HIS 291 Cb -0.19 -3.79 1.39 0.00 -0.13 0.00 0.00 32.58 29.86 3hgz s HIS 291 CO 0.12 -2.87 1.77 -1.00 -2.47 0.00 0.00 174.74 170.30 3hgz h PRO 292 N 7.03 0.00 -4.35 2.88 0.13 -1.94 -3.33 132.00 132.42 3hgz h PRO 292 Ca -0.42 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.99 3hgz h PRO 292 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 3hgz h PRO 292 CO 0.89 0.00 -0.42 -0.06 -0.23 0.00 0.00 178.00 178.18 3hgz s PHE 293 N -3.66 3.40 0.31 1.56 0.08 -1.26 -0.88 117.98 117.53 3hgz s PHE 293 Ca -0.03 -1.76 0.01 0.00 0.12 0.00 0.00 56.93 55.27 3hgz s PHE 293 Cb 0.07 -3.31 0.06 0.00 -0.57 0.00 0.00 43.02 39.27 3hgz s PHE 293 CO 0.23 -0.94 0.43 1.04 -0.10 0.00 0.00 175.22 175.87 3hgz n GLN 294 N 4.91 0.40 -0.30 0.44 1.13 -1.25 -4.89 117.38 117.82 3hgz n GLN 294 Ca -0.09 -1.24 -0.03 0.00 -1.94 0.00 0.00 57.00 53.70 3hgz n GLN 294 Cb 0.41 -0.26 0.02 0.00 0.11 0.00 0.00 30.24 30.53 3hgz n GLN 294 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3hgz h GLU 295 N 0.00 -0.08 0.00 -1.09 4.22 -1.96 0.03 114.58 115.70 3hgz h GLU 295 Ca -0.14 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.30 3hgz h GLU 295 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3hgz h GLU 295 CO 0.16 -0.05 0.00 -0.85 -2.18 0.00 0.00 179.01 176.09 3hgz n GLU 296 N -5.45 0.08 0.00 1.92 0.00 -1.26 -1.35 120.64 114.57 3hgz n GLU 296 Ca 0.07 0.34 0.11 0.00 0.00 0.00 0.00 57.16 57.68 3hgz n GLU 296 Cb 0.38 -1.65 0.11 0.00 0.00 0.00 0.00 31.44 30.27 3hgz n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hgz n HIS 297 N -1.80 0.00 -2.74 -1.84 8.25 -0.02 -4.90 115.22 112.17 3hgz n HIS 297 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 3hgz n HIS 297 Cb 0.18 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.23 3hgz n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hgz s LEU 298 N -2.73 3.41 -1.59 2.41 1.43 -0.46 -4.33 118.68 116.81 3hgz s LEU 298 Ca 0.15 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3hgz s LEU 298 Cb 0.18 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3hgz s LEU 298 CO 0.67 -0.96 0.07 0.29 0.23 0.00 0.00 176.35 176.64 3hgz n LYS 299 N -2.29 -2.15 -4.05 1.70 5.02 -0.17 -4.99 118.16 111.23 3hgz n LYS 299 Ca 0.05 0.90 -0.29 0.00 -2.02 0.00 0.00 58.31 56.94 3hgz n LYS 299 Cb 0.59 -5.57 -0.06 0.00 -0.02 0.00 0.00 35.03 29.96 3hgz n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hgz s GLN 300 N -5.13 2.92 -0.06 1.97 -1.52 -1.24 -0.99 119.66 115.62 3hgz s GLN 300 Ca 0.04 -0.72 0.02 0.00 -1.95 0.00 0.00 55.36 52.75 3hgz s GLN 300 Cb -0.02 -2.72 0.01 0.00 -0.22 0.00 0.00 33.01 30.06 3hgz s GLN 300 CO 0.05 0.55 -0.11 -1.17 -0.25 0.00 0.00 175.29 174.35 3hgz s LEU 301 N -2.60 1.62 -0.02 2.90 2.96 0.47 -1.59 118.68 122.42 3hgz s LEU 301 Ca 0.30 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 3hgz s LEU 301 Cb -0.12 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 3hgz s LEU 301 CO 0.23 0.03 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.72 3hgz s TYR 302 N 0.62 2.31 -0.16 5.38 1.51 0.32 -1.14 117.35 126.19 3hgz s TYR 302 Ca -0.12 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 3hgz s TYR 302 Cb -0.15 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 3hgz s TYR 302 CO 0.03 -0.03 -0.17 0.15 -1.11 0.00 0.00 175.55 174.41 3hgz s LYS 303 N -0.63 2.60 -0.05 -0.62 1.02 -0.21 -0.92 119.74 120.94 3hgz s LYS 303 Ca 0.10 -0.68 0.05 0.00 0.02 0.00 0.00 55.97 55.46 3hgz s LYS 303 Cb -0.10 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 3hgz s LYS 303 CO -0.01 -0.20 -0.20 0.42 -0.92 0.00 0.00 175.35 174.44 3hgz s ILE 304 N 1.34 1.63 -0.24 2.17 1.01 -0.02 -0.86 121.20 126.23 3hgz s ILE 304 Ca 0.03 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3hgz s ILE 304 Cb -0.13 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3hgz s ILE 304 CO -0.10 0.46 0.47 -0.69 0.00 0.00 0.00 174.94 175.08 3hgz s VAL 305 N -0.03 5.12 0.64 2.92 1.01 -0.74 -1.77 120.40 127.56 3hgz s VAL 305 Ca -0.04 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 3hgz s VAL 305 Cb -0.12 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.52 3hgz s VAL 305 CO 0.03 0.15 0.92 -2.16 0.00 0.00 0.00 175.10 174.03 3hgz s PRO 306 N 1.92 2.34 -0.14 2.72 0.04 -1.26 -4.54 135.00 136.09 3hgz s PRO 306 Ca 0.20 -0.46 -0.16 0.00 0.04 0.00 0.00 61.00 60.62 3hgz s PRO 306 Cb -0.15 -2.30 -0.14 0.00 0.04 0.00 0.00 34.50 31.95 3hgz s PRO 306 CO 0.09 -1.02 0.31 0.82 0.04 0.00 0.00 177.00 177.24 3hgz h ILE 307 N -0.33 0.84 -4.31 0.56 1.08 -1.97 -3.47 117.51 109.92 3hgz h ILE 307 Ca -0.43 -1.71 -0.49 0.00 -0.39 0.00 0.00 64.86 61.83 3hgz h ILE 307 Cb 1.31 1.67 0.11 0.00 -3.07 0.00 0.00 36.82 36.84 3hgz h ILE 307 CO 0.57 0.29 0.35 -0.54 -0.69 0.00 0.00 178.15 178.12 3hgz s LYS 308 N -2.03 2.29 -1.16 2.37 1.02 -1.26 -4.95 119.74 116.02 3hgz s LYS 308 Ca -0.14 0.68 -0.16 0.00 0.02 0.00 0.00 55.97 56.38 3hgz s LYS 308 Cb 0.00 -1.94 0.15 0.00 -0.52 0.00 0.00 37.83 35.52 3hgz s LYS 308 CO 0.39 -1.49 1.41 0.34 -0.92 0.00 0.00 175.35 175.08 3hgz s ASP 309 N -3.92 6.94 0.18 2.83 2.15 -1.26 -4.90 116.67 118.69 3hgz s ASP 309 Ca 0.60 -2.70 0.09 0.00 0.43 0.00 0.00 52.55 50.97 3hgz s ASP 309 Cb -0.14 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 3hgz s ASP 309 CO 0.54 -0.88 -0.18 0.27 -0.17 0.00 0.00 175.17 174.75 3hgz s ILE 310 N 2.20 1.89 -0.24 4.11 -4.36 -1.26 -4.88 121.20 118.67 3hgz s ILE 310 Ca 0.42 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 3hgz s ILE 310 Cb -0.02 -1.91 0.06 0.00 1.25 0.00 0.00 42.46 41.83 3hgz s ILE 310 CO -0.01 -0.34 -0.09 -0.13 0.24 0.00 0.00 174.94 174.61 3hgz s ARG 311 N -2.92 2.01 0.04 0.37 0.52 -1.26 -4.00 118.95 113.72 3hgz s ARG 311 Ca 0.18 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.31 3hgz s ARG 311 Cb -0.05 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 3hgz s ARG 311 CO 0.07 -0.54 -0.10 -0.80 0.02 0.00 0.00 175.30 173.95 3hgz s ASN 312 N 1.27 1.15 -0.21 0.23 0.01 0.17 -0.73 114.94 116.82 3hgz s ASN 312 Ca -0.06 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 51.60 3hgz s ASN 312 Cb -0.19 -0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.49 3hgz s ASN 312 CO -0.06 -0.11 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.05 3hgz s LEU 313 N -1.39 2.67 -0.20 0.60 2.96 -0.58 -0.05 118.68 122.70 3hgz s LEU 313 Ca -0.05 -0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 3hgz s LEU 313 Cb -0.09 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3hgz s LEU 313 CO 0.01 -0.07 0.04 -0.31 -1.32 0.00 0.00 176.35 174.69 3hgz s TYR 314 N 1.24 3.13 -0.12 5.38 2.02 0.04 -1.26 117.35 127.78 3hgz s TYR 314 Ca 0.00 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3hgz s TYR 314 Cb -0.16 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3hgz s TYR 314 CO -0.09 -0.08 -0.21 0.08 -1.57 0.00 0.00 175.55 173.68 3hgz s VAL 315 N 0.80 1.92 -0.03 0.71 1.01 -0.31 -0.69 120.40 123.81 3hgz s VAL 315 Ca 0.02 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3hgz s VAL 315 Cb -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3hgz s VAL 315 CO 0.02 0.52 -0.09 -0.89 0.00 0.00 0.00 175.10 174.66 3hgz s THR 316 N 0.74 0.80 -0.07 3.92 2.01 0.08 -0.86 115.64 122.26 3hgz s THR 316 Ca -0.10 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.59 3hgz s THR 316 Cb -0.16 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.64 3hgz s THR 316 CO 0.01 0.25 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.61 3hgz s PHE 317 N 0.22 2.24 0.21 4.92 0.40 -0.09 -0.39 117.98 125.49 3hgz s PHE 317 Ca -0.04 -0.77 -0.30 0.00 -0.60 0.00 0.00 56.93 55.23 3hgz s PHE 317 Cb -0.09 -1.49 -0.08 0.00 0.51 0.00 0.00 43.02 41.86 3hgz s PHE 317 CO 0.01 -0.28 1.13 -1.25 0.70 0.00 0.00 175.22 175.52 3hgz s PRO 318 N 0.13 4.58 0.11 0.24 0.04 -1.26 -0.01 135.00 138.82 3hgz s PRO 318 Ca -0.10 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.77 3hgz s PRO 318 Cb -0.15 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3hgz s PRO 318 CO 0.05 0.07 -0.09 0.96 0.04 0.00 0.00 177.00 178.02 3hgz s ILE 319 N -0.47 0.94 0.95 0.56 -4.36 -0.65 -4.86 121.20 113.31 3hgz s ILE 319 Ca 0.49 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 59.00 3hgz s ILE 319 Cb -0.31 -1.49 0.16 0.00 1.25 0.00 0.00 42.46 42.07 3hgz s ILE 319 CO 0.37 -0.64 1.09 -2.16 0.24 0.00 0.00 174.94 173.84 3hgz s PRO 320 N -3.11 0.79 -0.26 0.37 0.04 -1.26 -1.74 135.00 129.83 3hgz s PRO 320 Ca 0.08 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 3hgz s PRO 320 Cb -0.01 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 3hgz s PRO 320 CO -0.01 -2.54 2.12 0.34 0.04 0.00 0.00 177.00 176.96 3hgz s ASP 321 N -3.34 5.51 0.00 6.66 3.68 -1.25 -4.28 116.67 123.65 3hgz s ASP 321 Ca 0.65 1.71 0.27 0.00 2.13 0.00 0.00 52.55 57.30 3hgz s ASP 321 Cb -0.19 -2.51 0.88 0.00 -1.45 0.00 0.00 42.92 39.65 3hgz s ASP 321 CO 0.58 -1.94 1.65 0.18 0.13 0.00 0.00 175.17 175.77 3hgz n LEU 322 N 11.54 0.57 -0.29 -1.34 4.77 -1.26 -4.44 117.00 126.55 3hgz n LEU 322 Ca 0.28 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.36 3hgz n LEU 322 Cb 0.46 -0.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.59 3hgz n LEU 322 CO 0.67 0.12 0.98 -0.61 -1.33 0.00 0.00 177.39 177.21 3hgz h GLN 323 N 0.50 0.29 0.00 3.23 5.75 -1.99 0.20 115.11 123.09 3hgz h GLN 323 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3hgz h GLN 323 Cb 0.46 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 3hgz h GLN 323 CO 0.00 0.19 -0.06 1.57 -2.65 0.00 0.00 178.83 177.88 3hgz h LYS 324 N 0.30 0.00 -0.98 1.69 2.10 -1.99 -2.12 116.57 115.57 3hgz h LYS 324 Ca 0.51 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.07 3hgz h LYS 324 Cb 0.97 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.24 3hgz h LYS 324 CO -0.56 0.06 0.12 0.66 -2.00 0.00 0.00 179.45 177.72 3hgz n TYR 325 N -3.91 0.64 0.32 0.07 4.01 0.69 -4.58 117.16 114.41 3hgz n TYR 325 Ca -0.03 -0.66 0.19 0.00 -0.16 0.00 0.00 57.90 57.24 3hgz n TYR 325 Cb 0.15 -0.36 1.06 0.00 -0.31 0.00 0.00 39.34 39.88 3hgz n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3hgz h TYR 326 N 0.36 0.00 0.00 -0.72 -0.00 -1.51 0.38 116.97 115.48 3hgz h TYR 326 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.79 3hgz h TYR 326 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.02 3hgz h TYR 326 CO 0.33 0.00 -0.26 0.87 -0.00 0.00 0.00 178.16 179.11 3hgz h LYS 327 N 0.00 0.00 0.00 0.10 1.57 -1.88 -3.34 116.57 113.02 3hgz h LYS 327 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3hgz h LYS 327 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3hgz h LYS 327 CO 0.00 0.26 -1.66 -1.13 -0.57 0.00 0.00 179.45 176.35 3hgz n SER 328 N -3.22 3.07 -3.15 0.86 3.41 -0.54 -0.13 113.62 113.91 3hgz n SER 328 Ca 0.02 -0.06 -0.07 0.00 -0.26 0.00 0.00 58.87 58.51 3hgz n SER 328 Cb 0.58 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3hgz n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hgz n ASN 329 N -2.79 -7.29 0.08 4.04 4.05 0.12 -4.86 115.26 108.61 3hgz n ASN 329 Ca -0.20 -0.35 0.02 0.00 0.45 0.00 0.00 54.58 54.50 3hgz n ASN 329 Cb 0.73 -5.22 0.36 0.00 1.23 0.00 0.00 39.78 36.88 3hgz n ASN 329 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hgz h PRO 330 N -0.19 0.33 -0.81 1.20 0.13 -1.92 -2.59 132.00 128.14 3hgz h PRO 330 Ca -0.26 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 3hgz h PRO 330 Cb 1.13 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 3hgz h PRO 330 CO 0.36 0.43 0.45 0.78 -0.23 0.00 0.00 178.00 179.78 3hgz h GLY 331 N 0.75 1.20 0.83 1.56 0.00 -1.94 -2.73 103.07 102.75 3hgz h GLY 331 Ca 0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3hgz h GLY 331 CO 0.02 0.51 0.03 0.84 0.00 0.00 0.00 176.54 177.94 3hgz h HIS 332 N 1.13 0.33 -0.56 5.60 -0.00 -1.84 0.17 115.15 119.97 3hgz h HIS 332 Ca 0.29 -0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.72 3hgz h HIS 332 Cb 0.02 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 27.25 3hgz h HIS 332 CO 0.01 0.46 0.05 -0.92 -0.00 0.00 0.00 177.93 177.52 3hgz h TYR 333 N 0.10 0.05 0.00 5.26 3.20 -1.46 0.37 116.97 124.49 3hgz h TYR 333 Ca 0.06 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 3hgz h TYR 333 Cb 0.30 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3hgz h TYR 333 CO 0.02 -0.10 -0.70 -0.07 -1.64 0.00 0.00 178.16 175.67 3hgz h LEU 334 N 0.17 0.00 0.12 2.82 3.38 -1.31 -2.47 115.31 118.02 3hgz h LEU 334 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3hgz h LEU 334 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hgz h LEU 334 CO -0.44 0.70 -0.06 1.23 0.09 0.00 0.00 178.44 179.96 3hgz h GLY 335 N 2.52 -0.17 -0.07 0.83 0.00 0.26 0.76 103.07 107.19 3hgz h GLY 335 Ca -0.01 0.06 0.18 0.00 0.00 0.00 0.00 47.33 47.57 3hgz h GLY 335 CO 0.09 -0.06 0.33 0.84 0.00 0.00 0.00 176.54 177.73 3hgz h HIS 336 N -0.41 0.54 0.07 5.60 -0.00 -0.27 0.24 115.15 120.92 3hgz h HIS 336 Ca -0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3hgz h HIS 336 Cb 0.34 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3hgz h HIS 336 CO 0.01 -0.01 -0.03 -0.07 -0.00 0.00 0.00 177.93 177.82 3hgz h LEU 337 N 0.40 -0.08 -1.39 0.26 4.07 -1.21 -2.30 115.31 115.06 3hgz h LEU 337 Ca 0.49 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.55 3hgz h LEU 337 Cb 0.85 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.56 3hgz h LEU 337 CO -0.49 0.24 0.50 0.40 -1.08 0.00 0.00 178.44 178.02 3hgz h ILE 338 N -0.69 0.94 -0.02 1.22 2.04 -0.86 -0.36 117.51 119.78 3hgz h ILE 338 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3hgz h ILE 338 Cb 0.07 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3hgz h ILE 338 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.90 3hgz n GLY 339 N -1.46 -0.47 3.65 5.37 0.00 0.86 -4.67 105.19 108.47 3hgz n GLY 339 Ca 0.13 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3hgz n GLY 339 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hgz n HIS 340 N -0.38 1.05 -0.05 1.61 -0.00 -0.15 -4.84 115.22 112.47 3hgz n HIS 340 Ca 0.21 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 58.33 3hgz n HIS 340 Cb 0.23 -2.13 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 3hgz n HIS 340 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3hgz n GLU 341 N -2.06 2.93 -0.25 1.57 1.02 -1.26 -4.27 120.64 118.32 3hgz n GLU 341 Ca 0.14 -0.21 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 3hgz n GLU 341 Cb 0.49 -0.68 0.02 0.00 -0.02 0.00 0.00 31.44 31.26 3hgz n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgz n GLY 342 N 0.48 -1.08 3.68 0.62 0.00 -1.26 -4.41 105.19 103.22 3hgz n GLY 342 Ca 0.00 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 43.88 3hgz n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hgz n PRO 343 N -1.32 2.25 -0.37 1.61 -0.02 -1.26 -1.43 135.00 134.45 3hgz n PRO 343 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3hgz n PRO 343 Cb 0.07 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 3hgz n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hgz n GLY 344 N 3.00 1.04 3.82 -1.23 0.00 -1.26 -4.67 105.19 105.89 3hgz n GLY 344 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3hgz n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgz s SER 345 N -3.02 4.69 0.07 1.61 1.04 -0.51 -1.15 113.70 116.42 3hgz s SER 345 Ca 0.00 1.24 -0.28 0.00 0.48 0.00 0.00 55.95 57.39 3hgz s SER 345 Cb 0.00 -1.98 -0.17 0.00 0.10 0.00 0.00 66.02 63.97 3hgz s SER 345 CO 0.00 -1.84 1.63 0.25 0.98 0.00 0.00 173.24 174.26 3hgz h LEU 346 N -1.00 -0.39 -0.77 2.42 5.85 -1.83 -2.95 115.31 116.64 3hgz h LEU 346 Ca -0.47 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.41 3hgz h LEU 346 Cb 1.27 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.29 3hgz h LEU 346 CO 0.61 -0.25 0.23 0.25 -0.34 0.00 0.00 178.44 178.94 3hgz h LEU 347 N -0.50 0.10 -0.21 2.25 6.46 -1.85 -2.11 115.31 119.45 3hgz h LEU 347 Ca -0.05 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 3hgz h LEU 347 Cb 0.38 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 3hgz h LEU 347 CO 0.08 -0.01 -0.20 -1.28 -0.62 0.00 0.00 178.44 176.41 3hgz h SER 348 N 0.32 -0.63 -0.37 1.25 0.87 -1.79 0.27 113.55 113.47 3hgz h SER 348 Ca 0.44 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.11 3hgz h SER 348 Cb 0.75 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 3hgz h SER 348 CO -0.50 -0.24 0.21 -0.08 -0.53 0.00 0.00 176.83 175.69 3hgz h GLU 349 N -0.21 0.51 -0.40 2.24 4.57 -1.29 -1.59 114.58 118.41 3hgz h GLU 349 Ca 0.13 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 3hgz h GLU 349 Cb 0.40 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3hgz h GLU 349 CO -0.33 0.41 0.16 -0.07 -1.18 0.00 0.00 179.01 178.00 3hgz h LEU 350 N 0.48 0.50 -0.22 1.64 3.38 -0.98 -1.20 115.31 118.91 3hgz h LEU 350 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hgz h LEU 350 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hgz h LEU 350 CO -0.02 0.46 -0.07 0.50 0.09 0.00 0.00 178.44 179.40 3hgz h LYS 351 N 0.56 0.43 -0.75 1.13 3.64 -0.28 -0.62 116.57 120.69 3hgz h LYS 351 Ca 0.14 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hgz h LYS 351 Cb 0.11 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3hgz h LYS 351 CO -0.01 0.68 0.49 0.77 -2.27 0.00 0.00 179.45 179.11 3hgz h SER 352 N 0.15 0.85 0.00 4.20 0.02 -0.62 0.58 113.55 118.73 3hgz h SER 352 Ca 0.05 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hgz h SER 352 Cb 0.53 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3hgz h SER 352 CO 0.02 0.61 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 3hgz n LYS 353 N -4.43 0.82 -2.08 3.45 5.02 -0.51 -4.87 118.16 115.56 3hgz n LYS 353 Ca 0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3hgz n LYS 353 Cb 0.04 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 3hgz n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hgz n GLY 354 N 0.62 0.12 0.12 0.72 0.00 0.20 -4.93 105.19 102.03 3hgz n GLY 354 Ca 0.19 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 3hgz n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hgz n TRP 355 N -3.76 0.47 -4.22 1.61 8.01 -0.26 -4.34 117.44 114.95 3hgz n TRP 355 Ca -0.15 0.12 -0.13 0.00 -1.31 0.00 0.00 57.50 56.04 3hgz n TRP 355 Cb 0.58 -1.07 -0.10 0.00 -2.01 0.00 0.00 31.31 28.71 3hgz n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 3hgz s VAL 356 N -2.53 0.46 -0.03 -0.99 -7.23 -1.08 -2.30 120.40 106.69 3hgz s VAL 356 Ca -0.21 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.03 3hgz s VAL 356 Cb 0.08 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 3hgz s VAL 356 CO 0.73 -0.39 0.03 0.59 -0.31 0.00 0.00 175.10 175.75 3hgz n ASN 357 N -0.23 4.14 -3.70 4.85 3.02 -1.26 -4.02 115.26 118.07 3hgz n ASN 357 Ca -0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.39 3hgz n ASN 357 Cb 0.64 0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 40.45 3hgz n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hgz s THR 358 N -2.12 0.08 -0.09 3.41 -4.23 -1.26 -5.03 115.64 106.41 3hgz s THR 358 Ca -0.02 -0.64 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 3hgz s THR 358 Cb 0.01 -1.06 0.03 0.00 1.34 0.00 0.00 72.50 72.81 3hgz s THR 358 CO 0.15 -0.36 0.22 -0.22 -0.54 0.00 0.00 174.62 173.87 3hgz s LEU 359 N -2.38 1.00 -0.01 4.79 0.20 -1.26 -2.68 118.68 118.34 3hgz s LEU 359 Ca -0.01 0.45 0.08 0.00 0.69 0.00 0.00 54.13 55.34 3hgz s LEU 359 Cb 0.01 0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 46.47 3hgz s LEU 359 CO -0.07 -0.10 -0.26 -0.69 -0.29 0.00 0.00 176.35 174.95 3hgz s VAL 360 N 0.39 2.06 -0.01 1.68 1.01 0.13 -4.97 120.40 120.68 3hgz s VAL 360 Ca -0.02 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 3hgz s VAL 360 Cb -0.04 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3hgz s VAL 360 CO -0.02 0.54 0.42 -0.83 0.00 0.00 0.00 175.10 175.21 3hgz s GLY 361 N -0.73 -0.28 0.00 4.51 0.00 -1.26 -0.55 107.32 109.01 3hgz s GLY 361 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3hgz s GLY 361 CO -0.00 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.01 3hgz n GLY 362 N 1.04 0.96 3.88 0.20 0.00 -0.58 -4.49 105.19 106.20 3hgz n GLY 362 Ca -0.20 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 3hgz n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hgz s GLN 363 N -1.90 3.68 -0.06 1.61 -2.07 -1.26 -0.94 119.66 118.72 3hgz s GLN 363 Ca 0.00 0.45 -0.03 0.00 -1.82 0.00 0.00 55.36 53.96 3hgz s GLN 363 Cb 0.00 -2.32 0.03 0.00 -1.09 0.00 0.00 33.01 29.63 3hgz s GLN 363 CO 0.00 -0.20 0.14 0.21 -1.32 0.00 0.00 175.29 174.12 3hgz s LYS 364 N -4.39 0.10 0.44 9.60 2.20 -0.46 -4.90 119.74 122.34 3hgz s LYS 364 Ca 0.51 0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 56.20 3hgz s LYS 364 Cb -0.10 -0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.00 3hgz s LYS 364 CO 0.40 -0.13 1.22 0.39 -0.36 0.00 0.00 175.35 176.87 3hgz n GLU 365 N 3.94 1.77 0.00 4.03 -0.58 -1.26 -1.53 120.64 127.02 3hgz n GLU 365 Ca -0.23 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 3hgz n GLU 365 Cb 0.53 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 3hgz n GLU 365 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hgz n GLY 366 N 0.89 0.78 3.36 0.62 0.00 -1.17 -4.65 105.19 105.01 3hgz n GLY 366 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3hgz n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgz n ALA 367 N -3.00 -1.23 -1.50 4.61 0.00 -0.47 -5.00 120.51 113.92 3hgz n ALA 367 Ca 0.00 -1.27 -0.44 0.00 0.00 0.00 0.00 53.44 51.73 3hgz n ALA 367 Cb 0.00 1.02 -0.07 0.00 0.00 0.00 0.00 19.45 20.40 3hgz n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hgz n ARG 368 N -0.51 0.98 0.00 0.00 5.12 -1.26 -1.67 116.66 119.32 3hgz n ARG 368 Ca -0.05 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3hgz n ARG 368 Cb 0.55 -2.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.15 3hgz n ARG 368 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hgz n GLY 369 N 6.29 2.11 3.36 -0.13 0.00 -1.26 -1.18 105.19 114.39 3hgz n GLY 369 Ca 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 3hgz n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hgz s PHE 370 N -2.15 -0.37 0.30 1.61 -0.12 -0.67 -3.91 117.98 112.67 3hgz s PHE 370 Ca 0.00 0.52 -0.06 0.00 -0.05 0.00 0.00 56.93 57.34 3hgz s PHE 370 Cb 0.00 0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.64 3hgz s PHE 370 CO 0.00 -0.53 0.45 -1.64 -0.05 0.00 0.00 175.22 173.45 3hgz s MET 371 N -1.73 1.73 0.12 1.99 -1.94 -0.71 -1.37 119.30 117.39 3hgz s MET 371 Ca -0.10 -1.58 0.05 0.00 -1.71 0.00 0.00 55.69 52.36 3hgz s MET 371 Cb -0.02 0.44 -0.04 0.00 2.01 0.00 0.00 34.83 37.22 3hgz s MET 371 CO 0.03 -0.71 -0.13 -0.06 -0.01 0.00 0.00 175.02 174.14 3hgz s PHE 372 N -3.45 1.32 -0.15 -0.03 0.40 -0.58 -1.64 117.98 113.86 3hgz s PHE 372 Ca 0.28 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 3hgz s PHE 372 Cb 0.00 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.85 3hgz s PHE 372 CO 0.16 0.11 -0.21 0.12 0.70 0.00 0.00 175.22 176.10 3hgz s PHE 373 N -2.30 2.63 0.19 0.36 2.19 0.99 -1.35 117.98 120.69 3hgz s PHE 373 Ca 0.09 -1.40 0.11 0.00 0.33 0.00 0.00 56.93 56.06 3hgz s PHE 373 Cb -0.04 -1.81 -0.04 0.00 -1.31 0.00 0.00 43.02 39.82 3hgz s PHE 373 CO 0.02 -0.66 -0.21 0.96 1.83 0.00 0.00 175.22 177.16 3hgz s ILE 374 N 0.99 2.54 -0.19 3.12 -0.00 -0.11 -0.91 121.20 126.64 3hgz s ILE 374 Ca -0.03 -1.97 -0.05 0.00 -0.00 0.00 0.00 60.65 58.60 3hgz s ILE 374 Cb -0.15 -2.23 0.07 0.00 -0.00 0.00 0.00 42.46 40.15 3hgz s ILE 374 CO -0.05 -0.13 0.13 -0.63 -0.00 0.00 0.00 174.94 174.25 3hgz s ILE 375 N -1.72 -0.15 -0.03 8.37 1.01 -0.04 -1.53 121.20 127.13 3hgz s ILE 375 Ca 0.22 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.73 3hgz s ILE 375 Cb -0.08 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 3hgz s ILE 375 CO 0.11 -0.30 -0.23 0.20 0.00 0.00 0.00 174.94 174.71 3hgz s ASN 376 N 2.18 2.78 0.17 3.58 0.01 0.28 -1.16 114.94 122.78 3hgz s ASN 376 Ca 0.04 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 3hgz s ASN 376 Cb -0.16 -0.46 -0.05 0.00 0.41 0.00 0.00 41.25 41.00 3hgz s ASN 376 CO -0.12 0.27 -0.08 0.68 -1.51 0.00 0.00 177.10 176.33 3hgz s VAL 377 N -0.41 1.17 0.60 1.60 -7.23 -0.39 0.17 120.40 115.90 3hgz s VAL 377 Ca 0.05 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 3hgz s VAL 377 Cb -0.10 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.95 3hgz s VAL 377 CO 0.00 -0.66 0.83 1.51 -0.31 0.00 0.00 175.10 176.48 3hgz s ASP 378 N -3.20 4.99 -0.05 4.85 3.84 -1.09 -1.53 116.67 124.48 3hgz s ASP 378 Ca 0.19 -0.26 -0.01 0.00 -0.00 0.00 0.00 52.55 52.48 3hgz s ASP 378 Cb 0.03 -0.44 0.03 0.00 -1.38 0.00 0.00 42.92 41.16 3hgz s ASP 378 CO 0.02 -1.37 0.01 -0.76 -0.00 0.00 0.00 175.17 173.08 3hgz s LEU 379 N -4.84 0.77 1.02 2.11 1.43 0.09 -4.16 118.68 115.09 3hgz s LEU 379 Ca 0.61 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 3hgz s LEU 379 Cb -0.08 -0.30 0.20 0.00 0.03 0.00 0.00 46.19 46.04 3hgz s LEU 379 CO 0.40 -0.16 1.08 0.42 0.23 0.00 0.00 176.35 178.31 3hgz s THR 380 N 1.58 2.23 0.32 5.49 -4.23 -0.97 -4.63 115.64 115.42 3hgz s THR 380 Ca -0.02 0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 3hgz s THR 380 Cb -0.13 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.62 3hgz s THR 380 CO -0.03 -0.10 1.91 -0.33 -0.54 0.00 0.00 174.62 175.53 3hgz h GLU 381 N -2.04 0.91 -0.39 3.99 5.08 -1.90 -1.21 114.58 119.02 3hgz h GLU 381 Ca -0.54 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 3hgz h GLU 381 Cb 1.31 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3hgz h GLU 381 CO 0.53 0.60 0.21 0.93 -1.00 0.00 0.00 179.01 180.28 3hgz h GLU 382 N 0.93 0.55 -0.82 2.33 4.39 -1.91 -3.19 114.58 116.86 3hgz h GLU 382 Ca 0.39 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 60.12 3hgz h GLU 382 Cb 0.30 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 3hgz h GLU 382 CO -0.16 0.45 0.46 0.78 -1.16 0.00 0.00 179.01 179.39 3hgz h GLY 383 N 0.50 1.27 0.42 -3.84 0.00 -1.37 0.19 103.07 100.23 3hgz h GLY 383 Ca 0.14 -0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.33 3hgz h GLY 383 CO -0.02 0.12 0.58 -2.00 0.00 0.00 0.00 176.54 175.22 3hgz h LEU 384 N 0.78 0.56 -1.39 3.11 5.85 -1.40 -0.57 115.31 122.25 3hgz h LEU 384 Ca 0.40 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3hgz h LEU 384 Cb 0.38 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3hgz h LEU 384 CO -0.25 0.25 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 3hgz n LEU 385 N -4.56 2.02 -0.61 2.25 4.77 0.64 -3.97 117.00 117.54 3hgz n LEU 385 Ca 0.18 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3hgz n LEU 385 Cb 0.57 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3hgz n LEU 385 CO 0.29 0.47 0.23 1.41 -1.33 0.00 0.00 177.39 178.46 3hgz n HIS 386 N 0.51 0.00 -0.28 -1.77 8.25 -0.25 -4.89 115.22 116.79 3hgz n HIS 386 Ca 0.12 -0.06 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 3hgz n HIS 386 Cb 0.34 -0.02 0.17 0.00 1.12 0.00 0.00 29.99 31.60 3hgz n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hgz h VAL 387 N 6.75 0.24 -0.74 1.59 2.07 -1.61 0.41 116.25 124.96 3hgz h VAL 387 Ca -0.03 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3hgz h VAL 387 Cb 1.41 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3hgz h VAL 387 CO 0.01 0.01 0.39 -0.08 0.02 0.00 0.00 177.57 177.91 3hgz h GLU 388 N 0.07 0.63 -0.24 1.57 4.81 -1.91 -0.92 114.58 118.59 3hgz h GLU 388 Ca 0.45 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.51 3hgz h GLU 388 Cb 0.80 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3hgz h GLU 388 CO -0.76 0.42 -0.36 -0.44 -0.73 0.00 0.00 179.01 177.14 3hgz h ASP 389 N 0.65 0.73 -0.49 1.04 3.32 -1.18 -2.20 116.42 118.30 3hgz h ASP 389 Ca 0.36 -0.52 0.07 0.00 0.02 0.00 0.00 57.03 56.97 3hgz h ASP 389 Cb 0.36 -0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 3hgz h ASP 389 CO -0.26 1.11 -0.45 0.40 -1.72 0.00 0.00 179.24 178.32 3hgz h ILE 390 N 0.38 0.08 -0.63 0.35 1.08 0.25 -1.24 117.51 117.79 3hgz h ILE 390 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 3hgz h ILE 390 Cb 0.95 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3hgz h ILE 390 CO 0.08 0.00 0.28 0.40 -0.69 0.00 0.00 178.15 178.23 3hgz h ILE 391 N -0.29 1.21 -0.81 -0.67 2.04 -1.13 -0.77 117.51 117.09 3hgz h ILE 391 Ca 0.15 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3hgz h ILE 391 Cb 0.58 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3hgz h ILE 391 CO -0.63 0.26 0.43 0.25 0.00 0.00 0.00 178.15 178.45 3hgz h LEU 392 N 0.89 1.03 -1.39 1.44 5.85 -0.86 -0.57 115.31 121.70 3hgz h LEU 392 Ca 0.22 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hgz h LEU 392 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3hgz h LEU 392 CO -0.03 0.84 0.01 0.45 -0.34 0.00 0.00 178.44 179.38 3hgz h HIS 393 N 1.13 0.42 -0.59 1.25 3.86 -0.14 0.16 115.15 121.24 3hgz h HIS 393 Ca 0.28 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3hgz h HIS 393 Cb 0.06 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3hgz h HIS 393 CO 0.01 0.41 0.34 0.52 0.86 0.00 0.00 177.93 180.08 3hgz h MET 394 N 0.40 0.80 0.00 2.45 2.86 0.03 -1.40 114.93 120.06 3hgz h MET 394 Ca 0.09 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 3hgz h MET 394 Cb 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3hgz h MET 394 CO 0.01 0.59 -0.81 0.74 1.06 0.00 0.00 176.91 178.49 3hgz h PHE 395 N 0.79 0.00 -0.35 -0.22 -1.00 -0.39 -1.72 116.94 114.04 3hgz h PHE 395 Ca 0.21 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 3hgz h PHE 395 Cb -0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3hgz h PHE 395 CO -0.02 0.81 0.13 1.96 -1.61 0.00 0.00 178.31 179.59 3hgz h GLN 396 N 0.00 0.53 0.28 1.51 4.20 -0.55 0.01 115.11 121.09 3hgz h GLN 396 Ca -0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3hgz h GLN 396 Cb 1.49 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.19 3hgz h GLN 396 CO 0.11 0.53 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.74 3hgz h TYR 397 N 0.42 -0.35 -0.70 2.96 3.20 -1.08 -1.06 116.97 120.36 3hgz h TYR 397 Ca 0.12 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.13 3hgz h TYR 397 Cb 0.20 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.48 3hgz h TYR 397 CO -0.00 -0.19 0.15 0.82 -1.64 0.00 0.00 178.16 177.30 3hgz h ILE 398 N -0.40 0.53 -0.92 1.81 2.04 -1.25 -0.37 117.51 118.94 3hgz h ILE 398 Ca -0.04 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3hgz h ILE 398 Cb 0.31 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 3hgz h ILE 398 CO 0.06 0.05 0.57 -0.61 0.00 0.00 0.00 178.15 178.22 3hgz h GLN 399 N 0.25 0.97 -1.01 2.37 5.75 -0.64 0.46 115.11 123.27 3hgz h GLN 399 Ca 0.39 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.85 3hgz h GLN 399 Cb 0.65 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 3hgz h GLN 399 CO -0.49 0.64 0.67 -0.22 -2.65 0.00 0.00 178.83 176.77 3hgz h LYS 400 N 1.00 1.29 -0.76 1.69 1.63 0.23 0.46 116.57 122.12 3hgz h LYS 400 Ca 0.42 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 3hgz h LYS 400 Cb 0.27 -0.29 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3hgz h LYS 400 CO -0.21 0.86 0.30 -0.07 -3.45 0.00 0.00 179.45 176.88 3hgz h LEU 401 N 1.33 1.04 0.86 5.20 3.38 -0.16 -1.06 115.31 125.91 3hgz h LEU 401 Ca 0.38 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3hgz h LEU 401 Cb -0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.39 3hgz h LEU 401 CO -0.10 0.93 -0.45 0.03 0.09 0.00 0.00 178.44 178.94 3hgz h ARG 402 N 1.10 -1.16 -0.77 1.13 3.08 -0.36 -1.30 114.38 116.09 3hgz h ARG 402 Ca 0.25 0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.52 3hgz h ARG 402 Cb 0.22 0.26 -0.14 0.00 0.08 0.00 0.00 29.97 30.39 3hgz h ARG 402 CO -0.02 -0.77 -0.29 0.00 -1.07 0.00 0.00 179.97 177.82 3hgz h ALA 403 N -1.10 0.25 0.00 0.04 0.00 -0.75 -1.01 119.26 116.70 3hgz h ALA 403 Ca -0.12 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hgz h ALA 403 Cb 0.94 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3hgz h ALA 403 CO 0.16 -0.54 0.00 0.93 0.00 0.00 0.00 179.25 179.80 3hgz h GLU 404 N -0.06 0.00 -3.03 0.00 4.39 -1.18 -3.50 114.58 111.21 3hgz h GLU 404 Ca 0.33 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.36 3hgz h GLU 404 Cb 0.58 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 3hgz h GLU 404 CO -0.81 0.00 -0.69 0.41 -1.16 0.00 0.00 179.01 176.76 3hgz n GLY 405 N 0.56 -2.09 3.63 -3.84 0.00 -0.38 -4.90 105.19 98.17 3hgz n GLY 405 Ca 0.02 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 3hgz n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hgz n PRO 406 N -3.96 1.07 -3.73 1.61 -0.02 -1.26 -4.96 135.00 123.75 3hgz n PRO 406 Ca -0.02 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 3hgz n PRO 406 Cb 0.66 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 3hgz n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hgz s GLN 407 N -2.69 0.89 0.38 -0.52 -1.52 -1.26 -5.01 119.66 109.94 3hgz s GLN 407 Ca 0.74 -1.37 0.12 0.00 -1.95 0.00 0.00 55.36 52.90 3hgz s GLN 407 Cb -0.43 -2.10 0.92 0.00 -0.22 0.00 0.00 33.01 31.18 3hgz s GLN 407 CO 0.49 -1.04 1.87 1.49 -0.25 0.00 0.00 175.29 177.85 3hgz h GLU 408 N 7.65 0.56 -0.46 2.91 4.81 -1.99 0.22 114.58 128.27 3hgz h GLU 408 Ca -0.09 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3hgz h GLU 408 Cb 0.99 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 3hgz h GLU 408 CO 0.47 0.37 0.09 0.11 -0.73 0.00 0.00 179.01 179.32 3hgz h TRP 409 N 0.58 0.73 -0.47 0.92 5.08 -1.98 0.60 115.95 121.41 3hgz h TRP 409 Ca 0.44 -0.06 -0.04 0.00 1.08 0.00 0.00 58.89 60.30 3hgz h TRP 409 Cb 0.84 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 26.77 3hgz h TRP 409 CO -0.00 0.63 0.14 0.28 -1.28 0.00 0.00 178.44 178.21 3hgz h VAL 410 N 0.68 1.23 -0.11 0.12 2.07 -1.40 0.45 116.25 119.29 3hgz h VAL 410 Ca 0.15 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3hgz h VAL 410 Cb 0.29 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hgz h VAL 410 CO 0.00 0.28 0.07 0.15 0.02 0.00 0.00 177.57 178.08 3hgz h PHE 411 N 0.62 0.12 -0.93 1.57 3.57 -1.00 -1.53 116.94 119.36 3hgz h PHE 411 Ca 0.15 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.83 3hgz h PHE 411 Cb 0.28 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 38.88 3hgz h PHE 411 CO 0.02 0.08 0.52 0.37 -2.23 0.00 0.00 178.31 177.06 3hgz h GLN 412 N 0.14 0.66 0.12 1.11 5.75 0.51 0.20 115.11 123.60 3hgz h GLN 412 Ca 0.04 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3hgz h GLN 412 Cb -0.01 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3hgz h GLN 412 CO -0.02 0.44 -0.06 1.49 -2.65 0.00 0.00 178.83 178.03 3hgz h GLU 413 N 0.68 -0.16 -0.77 1.69 4.81 -0.63 -1.45 114.58 118.76 3hgz h GLU 413 Ca 0.53 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.93 3hgz h GLU 413 Cb 0.80 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.11 3hgz h GLU 413 CO -0.38 0.27 0.28 -0.07 -0.73 0.00 0.00 179.01 178.37 3hgz h LEU 414 N -0.65 0.21 -0.55 1.64 4.07 -0.93 -0.07 115.31 119.04 3hgz h LEU 414 Ca -0.02 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 3hgz h LEU 414 Cb 0.50 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 3hgz h LEU 414 CO 0.03 0.05 0.24 0.50 -1.08 0.00 0.00 178.44 178.17 3hgz h LYS 415 N 0.39 0.80 -0.33 1.13 3.64 -0.41 -1.97 116.57 119.83 3hgz h LYS 415 Ca 0.43 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3hgz h LYS 415 Cb 0.70 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3hgz h LYS 415 CO -0.45 0.69 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.83 3hgz h ASP 416 N 0.74 0.69 -0.11 4.20 3.32 -0.38 -0.44 116.42 124.44 3hgz h ASP 416 Ca 0.18 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.87 3hgz h ASP 416 Cb 0.17 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3hgz h ASP 416 CO -0.02 0.94 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.21 3hgz h LEU 417 N 0.44 -0.48 -1.07 1.55 4.07 -0.99 -0.56 115.31 118.27 3hgz h LEU 417 Ca 0.07 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.13 3hgz h LEU 417 Cb 0.67 0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 3hgz h LEU 417 CO 0.05 -0.21 0.63 0.78 -1.08 0.00 0.00 178.44 178.61 3hgz h ASN 418 N -0.21 1.09 -0.70 -0.43 2.35 -1.15 0.26 115.58 116.80 3hgz h ASN 418 Ca 0.09 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3hgz h ASN 418 Cb 0.33 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3hgz h ASN 418 CO -0.23 0.79 0.40 0.00 -1.65 0.00 0.00 177.43 176.73 3hgz h ALA 419 N 1.41 0.89 -0.05 -0.83 0.00 -0.70 0.35 119.26 120.33 3hgz h ALA 419 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hgz h ALA 419 Cb -0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 3hgz h ALA 419 CO -0.08 0.39 -0.01 0.28 0.00 0.00 0.00 179.25 179.83 3hgz h VAL 420 N 0.95 1.29 -0.63 0.00 2.07 -0.04 -0.67 116.25 119.22 3hgz h VAL 420 Ca 0.25 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 67.01 3hgz h VAL 420 Cb 0.01 1.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.47 3hgz h VAL 420 CO -0.04 0.24 0.03 0.00 0.02 0.00 0.00 177.57 177.82 3hgz h ALA 421 N 0.66 0.65 0.05 1.67 0.00 -0.35 -1.50 119.26 120.44 3hgz h ALA 421 Ca 0.01 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hgz h ALA 421 Cb 0.39 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hgz h ALA 421 CO 0.00 -0.38 -0.02 0.35 0.00 0.00 0.00 179.25 179.20 3hgz h PHE 422 N 0.14 -0.06 -0.56 0.00 3.57 -0.70 0.73 116.94 120.06 3hgz h PHE 422 Ca 0.33 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.95 3hgz h PHE 422 Cb 0.54 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.20 3hgz h PHE 422 CO -0.35 0.37 -0.06 -0.09 -2.23 0.00 0.00 178.31 175.96 3hgz h ARG 423 N -0.52 0.06 -0.47 1.11 2.43 -0.86 -2.67 114.38 113.48 3hgz h ARG 423 Ca -0.01 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 3hgz h ARG 423 Cb 0.46 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 3hgz h ARG 423 CO 0.01 0.04 0.09 1.19 -1.51 0.00 0.00 179.97 179.80 3hgz n PHE 424 N -5.32 1.55 -1.67 2.20 3.01 -0.59 -4.44 117.46 112.21 3hgz n PHE 424 Ca 0.07 -1.23 -0.45 0.00 1.01 0.00 0.00 57.45 56.85 3hgz n PHE 424 Cb 0.31 -0.51 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 3hgz n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3hgz n LYS 425 N -0.61 1.99 -1.82 -1.08 4.81 0.24 -4.95 118.16 116.74 3hgz n LYS 425 Ca 0.33 0.71 -0.39 0.00 -0.87 0.00 0.00 58.31 58.08 3hgz n LYS 425 Cb 1.12 -2.33 0.03 0.00 0.02 0.00 0.00 35.03 33.87 3hgz n LYS 425 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hgz s ASP 426 N 0.16 5.54 0.14 3.14 1.01 -1.26 -4.96 116.67 120.43 3hgz s ASP 426 Ca 0.66 2.79 -0.31 0.00 0.71 0.00 0.00 52.55 56.40 3hgz s ASP 426 Cb -0.65 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 40.56 3hgz s ASP 426 CO 0.52 -1.39 1.43 -0.75 0.21 0.00 0.00 175.17 175.18 3hgz s LYS 427 N -2.73 4.30 0.47 8.23 2.20 -1.26 -5.00 119.74 125.96 3hgz s LYS 427 Ca 0.67 2.15 -0.16 0.00 -0.36 0.00 0.00 55.97 58.27 3hgz s LYS 427 Cb -0.41 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.61 3hgz s LYS 427 CO 0.50 -0.46 0.93 -1.21 -0.36 0.00 0.00 175.35 174.75 3hgz s GLU 428 N 0.96 3.97 0.21 4.03 8.01 -1.26 -4.41 118.70 130.20 3hgz s GLU 428 Ca 0.65 0.89 -0.30 0.00 0.01 0.00 0.00 54.97 56.21 3hgz s GLU 428 Cb -0.39 -2.20 -0.10 0.00 -4.31 0.00 0.00 34.13 27.14 3hgz s GLU 428 CO 0.32 -0.17 1.46 1.03 0.01 0.00 0.00 175.26 177.90 3hgz s ARG 429 N -3.85 4.26 0.21 1.61 0.52 -1.26 -4.91 118.95 115.53 3hgz s ARG 429 Ca 0.58 2.29 -0.09 0.00 -0.52 0.00 0.00 55.73 57.98 3hgz s ARG 429 Cb -0.10 -3.14 0.26 0.00 0.52 0.00 0.00 34.95 32.50 3hgz s ARG 429 CO 0.28 -0.46 1.78 -1.35 0.02 0.00 0.00 175.30 175.57 3hgz h PRO 430 N 5.65 0.54 -0.18 3.54 0.11 -1.96 -2.12 132.00 137.58 3hgz h PRO 430 Ca -0.45 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.68 3hgz h PRO 430 Cb 1.21 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3hgz h PRO 430 CO 0.82 0.36 -0.24 -0.09 -0.21 0.00 0.00 178.00 178.64 3hgz h ARG 431 N 0.56 -0.26 -0.28 1.05 2.43 -1.89 0.52 114.38 116.50 3hgz h ARG 431 Ca 0.30 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 3hgz h ARG 431 Cb 0.28 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3hgz h ARG 431 CO -0.24 -0.18 -0.21 0.78 -1.51 0.00 0.00 179.97 178.62 3hgz h GLY 432 N -0.27 0.57 0.82 2.80 0.00 -1.93 -2.53 103.07 102.52 3hgz h GLY 432 Ca 0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3hgz h GLY 432 CO -0.34 0.41 -0.20 -1.82 0.00 0.00 0.00 176.54 174.59 3hgz h TYR 433 N 0.47 -0.52 -0.49 5.60 3.20 -0.63 -1.91 116.97 122.70 3hgz h TYR 433 Ca 0.07 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.98 3hgz h TYR 433 Cb 0.62 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 3hgz h TYR 433 CO 0.02 -0.22 0.24 1.79 -1.64 0.00 0.00 178.16 178.35 3hgz h THR 434 N -0.75 0.95 -0.44 1.81 1.35 -0.95 -1.37 112.91 113.52 3hgz h THR 434 Ca -0.06 -0.16 0.07 0.00 -0.55 0.00 0.00 66.41 65.71 3hgz h THR 434 Cb 0.52 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 67.31 3hgz h THR 434 CO 0.09 0.09 0.07 -1.28 -0.25 0.00 0.00 175.52 174.24 3hgz h SER 435 N 0.48 -0.04 -0.23 5.36 0.87 -1.40 -1.16 113.55 117.43 3hgz h SER 435 Ca 0.22 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3hgz h SER 435 Cb 0.13 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3hgz h SER 435 CO -0.16 0.01 -0.07 0.50 -0.53 0.00 0.00 176.83 176.59 3hgz h LYS 436 N 0.19 0.45 -0.70 2.24 3.64 -0.91 -3.02 116.57 118.46 3hgz h LYS 436 Ca 0.22 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3hgz h LYS 436 Cb 0.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hgz h LYS 436 CO -0.30 0.69 0.26 0.82 -2.27 0.00 0.00 179.45 178.65 3hgz h ILE 437 N 0.18 1.24 -0.62 2.00 2.04 -1.07 -2.53 117.51 118.75 3hgz h ILE 437 Ca 0.06 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.23 3hgz h ILE 437 Cb 0.54 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 3hgz h ILE 437 CO 0.03 0.31 0.22 0.00 0.00 0.00 0.00 178.15 178.71 3hgz h ALA 438 N 1.27 0.80 0.73 1.87 0.00 -1.16 0.18 119.26 122.95 3hgz h ALA 438 Ca 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hgz h ALA 438 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hgz h ALA 438 CO -0.02 -0.21 -0.40 0.78 0.00 0.00 0.00 179.25 179.41 3hgz h GLY 439 N 0.39 -1.11 2.00 0.00 0.00 -1.37 -3.15 103.07 99.83 3hgz h GLY 439 Ca 0.32 0.43 0.00 0.00 0.00 0.00 0.00 47.33 48.08 3hgz h GLY 439 CO -0.33 -0.40 0.00 0.16 0.00 0.00 0.00 176.54 175.98 3hgz h ILE 440 N -1.04 0.00 -0.06 2.60 3.07 -1.02 -2.37 117.51 118.68 3hgz h ILE 440 Ca -0.10 -0.21 0.02 0.00 1.55 0.00 0.00 64.86 66.13 3hgz h ILE 440 Cb 0.82 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3hgz h ILE 440 CO 0.13 0.00 0.08 -0.07 -1.05 0.00 0.00 178.15 177.24 3hgz h LEU 441 N 0.00 0.00 0.00 0.16 3.38 -0.61 -0.46 115.31 117.78 3hgz h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgz h LEU 441 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hgz h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3hgz n HIS 442 N -3.75 0.00 0.00 1.13 8.25 -0.89 -4.01 115.22 115.95 3hgz n HIS 442 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3hgz n HIS 442 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3hgz n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hgz n TYR 443 N -0.82 0.00 -4.13 4.41 4.02 -0.19 -5.09 117.16 115.36 3hgz n TYR 443 Ca 0.13 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.86 3hgz n TYR 443 Cb 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.23 3hgz n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hgz s TYR 444 N -0.41 0.43 0.21 -0.72 2.02 -1.16 -5.09 117.35 112.63 3hgz s TYR 444 Ca 0.00 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 3hgz s TYR 444 Cb 0.00 -0.29 -0.16 0.00 -0.40 0.00 0.00 41.96 41.10 3hgz s TYR 444 CO 0.00 -0.02 0.77 -2.30 -1.57 0.00 0.00 175.55 172.43 3hgz n PRO 445 N 3.06 0.54 -0.30 -1.71 -0.02 -1.26 -4.77 135.00 130.55 3hgz n PRO 445 Ca -0.14 0.19 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 3hgz n PRO 445 Cb 0.58 -1.39 0.06 0.00 -0.02 0.00 0.00 33.50 32.73 3hgz n PRO 445 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hgz n LEU 446 N 1.72 -0.44 0.28 2.45 4.32 -1.26 -1.04 117.00 123.03 3hgz n LEU 446 Ca 0.15 1.36 0.13 0.00 -0.02 0.00 0.00 56.01 57.64 3hgz n LEU 446 Cb 0.26 -0.34 0.80 0.00 -1.62 0.00 0.00 43.42 42.52 3hgz n LEU 446 CO 0.58 -1.25 1.05 -0.33 -1.22 0.00 0.00 177.39 176.22 3hgz h GLU 447 N 0.00 0.00 -0.03 3.23 3.07 -1.86 -2.76 114.58 116.23 3hgz h GLU 447 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3hgz h GLU 447 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3hgz h GLU 447 CO -0.79 0.06 -0.10 0.39 -1.40 0.00 0.00 179.01 177.17 3hgz n GLU 448 N -3.84 2.02 0.29 2.33 1.02 -0.21 -2.29 120.64 119.96 3hgz n GLU 448 Ca -0.03 -1.64 0.17 0.00 -0.02 0.00 0.00 57.16 55.64 3hgz n GLU 448 Cb 0.15 -1.47 0.95 0.00 -0.02 0.00 0.00 31.44 31.05 3hgz n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3hgz h VAL 449 N 3.99 0.43 0.13 2.62 -1.51 -1.38 0.56 116.25 121.09 3hgz h VAL 449 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.15 3hgz h VAL 449 Cb 0.90 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 3hgz h VAL 449 CO 0.00 0.00 -1.67 -0.07 -1.23 0.00 0.00 177.57 174.60 3hgz h LEU 450 N 0.00 0.42 0.00 4.19 4.07 -1.82 -3.39 115.31 118.78 3hgz h LEU 450 Ca 0.01 -0.65 -0.14 0.00 0.08 0.00 0.00 57.88 57.19 3hgz h LEU 450 Cb 0.09 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 3hgz h LEU 450 CO -0.00 1.55 -1.87 0.35 -1.08 0.00 0.00 178.44 177.39 3hgz n THR 451 N -3.46 0.70 0.06 0.22 -2.24 -0.38 -4.57 114.28 104.62 3hgz n THR 451 Ca -0.21 -0.64 0.20 0.00 -2.27 0.00 0.00 64.05 61.13 3hgz n THR 451 Cb 1.05 -0.33 0.73 0.00 -2.10 0.00 0.00 70.33 69.68 3hgz n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgz h ALA 452 N 1.60 2.28 -0.06 6.98 0.00 -0.14 0.14 119.26 130.07 3hgz h ALA 452 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hgz h ALA 452 Cb 1.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hgz h ALA 452 CO 0.02 -0.58 0.00 0.39 0.00 0.00 0.00 179.25 179.07 3hgz n GLU 453 N -4.12 1.73 0.00 0.00 1.02 -1.26 -4.56 120.64 113.45 3hgz n GLU 453 Ca 0.08 -1.07 -0.00 0.00 -0.02 0.00 0.00 57.16 56.15 3hgz n GLU 453 Cb 0.55 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3hgz n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hgz n TYR 454 N 0.29 0.00 -2.05 -0.32 4.01 0.40 -5.04 117.16 114.45 3hgz n TYR 454 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 3hgz n TYR 454 Cb 0.37 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 3hgz n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hgz s LEU 455 N -5.33 4.35 0.01 7.72 1.43 -0.62 -4.76 118.68 121.48 3hgz s LEU 455 Ca -0.01 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3hgz s LEU 455 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3hgz s LEU 455 CO 0.01 -0.80 0.09 -0.76 0.23 0.00 0.00 176.35 175.12 3hgz s LEU 456 N 2.25 3.91 0.00 1.79 1.43 -1.26 -4.84 118.68 121.96 3hgz s LEU 456 Ca 0.69 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3hgz s LEU 456 Cb -0.37 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3hgz s LEU 456 CO 0.30 0.25 0.00 -0.62 0.23 0.00 0.00 176.35 176.51 3hgz n GLU 457 N 1.03 0.55 -4.59 1.70 1.02 0.81 -4.96 120.64 116.19 3hgz n GLU 457 Ca -0.12 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.69 3hgz n GLU 457 Cb 0.52 -0.65 -0.15 0.00 -0.02 0.00 0.00 31.44 31.14 3hgz n GLU 457 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hgz s GLU 458 N -1.31 3.22 -0.17 3.49 2.02 -0.74 -5.01 118.70 120.20 3hgz s GLU 458 Ca 0.00 -0.75 -0.20 0.00 0.02 0.00 0.00 54.97 54.03 3hgz s GLU 458 Cb 0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 3hgz s GLU 458 CO 0.00 0.04 0.61 0.12 0.02 0.00 0.00 175.26 176.05 3hgz s PHE 459 N 0.74 3.42 -0.52 1.61 5.36 -1.26 -4.05 117.98 123.28 3hgz s PHE 459 Ca -0.07 0.94 0.05 0.00 -0.96 0.00 0.00 56.93 56.89 3hgz s PHE 459 Cb -0.16 -2.75 0.18 0.00 -0.34 0.00 0.00 43.02 39.95 3hgz s PHE 459 CO 0.01 -0.09 0.43 0.54 -1.46 0.00 0.00 175.22 174.64 3hgz n ARG 460 N 4.69 0.87 0.26 10.12 5.12 -1.26 -4.92 116.66 131.55 3hgz n ARG 460 Ca -0.02 -3.68 0.13 0.00 -1.93 0.00 0.00 57.85 52.35 3hgz n ARG 460 Cb 0.50 -1.86 0.80 0.00 -1.16 0.00 0.00 32.46 30.74 3hgz n ARG 460 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hgz h PRO 461 N 5.35 0.00 -0.34 5.56 0.13 -1.97 -2.27 132.00 138.45 3hgz h PRO 461 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 3hgz h PRO 461 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 3hgz h PRO 461 CO 0.51 0.00 0.15 0.38 -0.23 0.00 0.00 178.00 178.82 3hgz h ASP 462 N 0.00 0.45 -0.35 1.44 -0.00 -1.99 -0.29 116.42 115.69 3hgz h ASP 462 Ca 0.02 -0.14 -0.11 0.00 -0.00 0.00 0.00 57.03 56.80 3hgz h ASP 462 Cb 0.09 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.30 3hgz h ASP 462 CO -0.00 0.47 -0.21 -0.07 -0.00 0.00 0.00 179.24 179.43 3hgz h LEU 463 N 0.41 0.78 -0.70 0.15 3.38 -1.88 0.70 115.31 118.15 3hgz h LEU 463 Ca 0.12 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.71 3hgz h LEU 463 Cb 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3hgz h LEU 463 CO -0.01 1.04 0.42 0.40 0.09 0.00 0.00 178.44 180.37 3hgz h ILE 464 N 0.53 1.04 -0.36 1.22 2.04 -1.37 0.59 117.51 121.20 3hgz h ILE 464 Ca 0.07 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3hgz h ILE 464 Cb 0.76 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3hgz h ILE 464 CO 0.06 0.15 0.17 -0.08 0.00 0.00 0.00 178.15 178.44 3hgz h GLU 465 N 0.80 0.52 -0.22 2.37 4.81 -0.81 -1.97 114.58 120.09 3hgz h GLU 465 Ca 0.30 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3hgz h GLU 465 Cb 0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3hgz h GLU 465 CO -0.14 0.47 0.08 1.98 -0.73 0.00 0.00 179.01 180.66 3hgz h MET 466 N 0.44 0.33 0.06 1.92 4.05 -0.15 -1.48 114.93 120.10 3hgz h MET 466 Ca 0.12 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3hgz h MET 466 Cb 0.13 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3hgz h MET 466 CO -0.01 0.41 -0.03 0.28 0.23 0.00 0.00 176.91 177.79 3hgz h VAL 467 N 0.19 1.00 -1.02 -5.77 2.07 -0.92 -2.72 116.25 109.09 3hgz h VAL 467 Ca 0.07 -0.19 0.25 0.00 0.82 0.00 0.00 66.70 67.65 3hgz h VAL 467 Cb 0.21 1.13 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 3hgz h VAL 467 CO -0.00 0.05 0.63 0.25 0.02 0.00 0.00 177.57 178.51 3hgz h LEU 468 N -0.16 0.59 -0.63 2.57 5.85 -1.25 0.22 115.31 122.49 3hgz h LEU 468 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hgz h LEU 468 Cb 0.14 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hgz h LEU 468 CO 0.01 0.11 0.00 -0.67 -0.34 0.00 0.00 178.44 177.55 3hgz n ASP 469 N -4.76 0.39 0.06 1.25 2.03 -0.57 -1.73 116.55 113.22 3hgz n ASP 469 Ca 0.26 0.63 0.11 0.00 0.52 0.00 0.00 54.79 56.31 3hgz n ASP 469 Cb 0.79 -0.70 0.01 0.00 -0.72 0.00 0.00 41.12 40.50 3hgz n ASP 469 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3hgz n LYS 470 N -1.96 0.47 -2.47 -0.67 4.76 0.77 -4.58 118.16 114.47 3hgz n LYS 470 Ca 0.01 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 3hgz n LYS 470 Cb 0.13 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3hgz n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hgz n LEU 471 N -2.33 6.00 -4.09 -0.35 4.77 -0.70 -4.75 117.00 115.55 3hgz n LEU 471 Ca 0.01 -4.41 -0.15 0.00 -0.03 0.00 0.00 56.01 51.43 3hgz n LEU 471 Cb 0.50 -1.59 -0.12 0.00 -2.33 0.00 0.00 43.42 39.88 3hgz n LEU 471 CO 0.40 0.96 -0.42 -0.13 -1.33 0.00 0.00 177.39 176.87 3hgz s ARG 472 N 1.73 0.63 0.50 3.23 0.52 -1.26 -5.01 118.95 119.28 3hgz s ARG 472 Ca 0.44 -0.76 0.25 0.00 -0.52 0.00 0.00 55.73 55.14 3hgz s ARG 472 Cb 0.06 -0.50 1.33 0.00 0.52 0.00 0.00 34.95 36.36 3hgz s ARG 472 CO -0.00 0.11 1.93 -1.35 0.02 0.00 0.00 175.30 176.01 3hgz h PRO 473 N 4.62 0.12 0.00 3.54 0.11 -1.90 0.36 132.00 138.84 3hgz h PRO 473 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hgz h PRO 473 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hgz h PRO 473 CO 0.42 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.43 3hgz n GLU 474 N -4.38 0.00 0.00 1.05 0.00 -1.26 -2.69 120.64 113.37 3hgz n GLU 474 Ca 0.14 0.21 0.10 0.00 0.00 0.00 0.00 57.16 57.61 3hgz n GLU 474 Cb 0.71 -1.51 0.06 0.00 0.00 0.00 0.00 31.44 30.71 3hgz n GLU 474 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hgz n ASN 475 N -1.52 2.45 -4.80 -1.84 4.13 0.11 -4.50 115.26 109.29 3hgz n ASN 475 Ca 0.04 -1.73 -0.36 0.00 1.68 0.00 0.00 54.58 54.22 3hgz n ASN 475 Cb 0.20 0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.47 3hgz n ASN 475 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3hgz s VAL 476 N -1.72 4.38 -0.05 2.41 0.11 -1.09 -4.39 120.40 120.03 3hgz s VAL 476 Ca 0.21 1.55 0.05 0.00 -2.93 0.00 0.00 61.98 60.86 3hgz s VAL 476 Cb 0.16 -3.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 3hgz s VAL 476 CO 0.29 0.05 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.75 3hgz s ARG 477 N -2.32 2.52 -0.10 1.54 0.52 0.47 -1.00 118.95 120.59 3hgz s ARG 477 Ca 0.51 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3hgz s ARG 477 Cb -0.16 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.11 3hgz s ARG 477 CO 0.20 0.45 -0.15 0.08 0.02 0.00 0.00 175.30 175.91 3hgz s VAL 478 N -0.33 1.44 -0.09 3.52 1.01 -0.62 -0.74 120.40 124.59 3hgz s VAL 478 Ca 0.02 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3hgz s VAL 478 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3hgz s VAL 478 CO 0.02 0.43 -0.17 0.00 0.00 0.00 0.00 175.10 175.38 3hgz s ALA 479 N 0.85 1.66 -0.18 5.51 0.00 0.14 -0.52 121.76 129.22 3hgz s ALA 479 Ca -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3hgz s ALA 479 Cb -0.15 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3hgz s ALA 479 CO 0.01 0.10 -0.08 0.42 0.00 0.00 0.00 175.76 176.20 3hgz s ILE 480 N 0.68 3.21 -0.23 0.00 1.01 -0.10 -0.78 121.20 124.99 3hgz s ILE 480 Ca -0.13 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3hgz s ILE 480 Cb -0.16 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3hgz s ILE 480 CO 0.03 0.47 -0.00 -0.69 0.00 0.00 0.00 174.94 174.75 3hgz s VAL 481 N 1.02 3.72 -0.12 2.92 1.01 0.93 -0.84 120.40 129.04 3hgz s VAL 481 Ca -0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3hgz s VAL 481 Cb -0.15 -2.71 0.11 0.00 0.00 0.00 0.00 36.38 33.63 3hgz s VAL 481 CO -0.01 0.39 0.89 -0.55 0.00 0.00 0.00 175.10 175.83 3hgz s SER 482 N 1.49 -0.46 0.27 3.32 0.15 -0.73 -0.65 113.70 117.10 3hgz s SER 482 Ca 0.06 0.49 0.25 0.00 0.70 0.00 0.00 55.95 57.45 3hgz s SER 482 Cb -0.15 0.38 0.96 0.00 -1.71 0.00 0.00 66.02 65.51 3hgz s SER 482 CO -0.01 -0.44 1.75 0.11 1.20 0.00 0.00 173.24 175.86 3hgz h LYS 483 N 2.68 0.00 0.00 5.44 1.79 -1.84 -3.11 116.57 121.54 3hgz h LYS 483 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3hgz h LYS 483 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3hgz h LYS 483 CO 0.34 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.58 3hgz n SER 484 N -2.33 0.00 -0.67 0.86 3.41 -1.26 -1.79 113.62 111.84 3hgz n SER 484 Ca 0.03 0.44 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 3hgz n SER 484 Cb 0.29 -0.47 0.17 0.00 -0.26 0.00 0.00 64.21 63.93 3hgz n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hgz n PHE 485 N -1.47 0.48 -1.69 7.33 0.99 -1.17 -4.83 117.46 117.09 3hgz n PHE 485 Ca 0.04 -0.24 -0.52 0.00 -0.00 0.00 0.00 57.45 56.73 3hgz n PHE 485 Cb 0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.57 3hgz n PHE 485 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3hgz n GLU 486 N 0.56 1.75 -0.04 -1.08 -0.58 -0.74 -2.03 120.64 118.47 3hgz n GLU 486 Ca 0.12 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 3hgz n GLU 486 Cb 0.31 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 3hgz n GLU 486 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hgz n GLY 487 N 4.40 1.81 0.66 0.62 0.00 -1.26 -4.76 105.19 106.66 3hgz n GLY 487 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 3hgz n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hgz n LYS 488 N -2.00 1.84 -4.17 1.61 5.02 -0.86 -4.94 118.16 114.66 3hgz n LYS 488 Ca 0.00 -1.27 -0.25 0.00 -2.02 0.00 0.00 58.31 54.77 3hgz n LYS 488 Cb 0.00 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 3hgz n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hgz s THR 489 N -1.54 4.05 -0.01 -0.18 -4.23 -1.24 -4.89 115.64 107.60 3hgz s THR 489 Ca 0.24 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3hgz s THR 489 Cb 0.12 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.88 3hgz s THR 489 CO 0.16 -0.21 0.79 -0.90 -0.54 0.00 0.00 174.62 173.92 3hgz n ASP 490 N -0.56 1.02 -4.18 3.99 5.68 -1.20 -4.95 116.55 116.36 3hgz n ASP 490 Ca -0.08 -1.63 -0.11 0.00 -0.50 0.00 0.00 54.79 52.47 3hgz n ASP 490 Cb 0.56 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 3hgz n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3hgz s ARG 491 N -0.62 0.94 -0.06 0.11 0.52 -0.14 -5.02 118.95 114.68 3hgz s ARG 491 Ca 0.02 -1.43 -0.02 0.00 -0.52 0.00 0.00 55.73 53.78 3hgz s ARG 491 Cb 0.02 -0.01 0.04 0.00 0.52 0.00 0.00 34.95 35.52 3hgz s ARG 491 CO 0.00 -0.16 0.10 0.99 0.02 0.00 0.00 175.30 176.25 3hgz s THR 492 N -3.83 -0.15 0.11 0.02 2.01 -1.26 -1.86 115.64 110.67 3hgz s THR 492 Ca 0.20 0.35 -0.31 0.00 0.31 0.00 0.00 61.69 62.24 3hgz s THR 492 Cb 0.07 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 72.30 3hgz s THR 492 CO 0.00 0.14 1.29 -0.70 -0.69 0.00 0.00 174.62 174.66 3hgz s GLU 493 N 1.96 4.39 0.21 4.92 -6.30 -0.13 -4.89 118.70 118.85 3hgz s GLU 493 Ca 0.01 1.93 -0.04 0.00 -2.50 0.00 0.00 54.97 54.37 3hgz s GLU 493 Cb -0.12 -3.28 0.17 0.00 0.00 0.00 0.00 34.13 30.89 3hgz s GLU 493 CO -0.04 -0.32 1.58 1.05 0.02 0.00 0.00 175.26 177.55 3hgz h GLU 494 N 6.55 0.69 0.00 4.30 4.11 -1.95 0.14 114.58 128.42 3hgz h GLU 494 Ca -0.42 -0.33 -0.16 0.00 0.07 0.00 0.00 59.36 58.51 3hgz h GLU 494 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3hgz h GLU 494 CO 0.83 0.93 -0.78 -1.49 0.07 0.00 0.00 179.01 178.57 3hgz h TRP 495 N 0.58 0.00 0.00 2.06 4.06 -2.00 -3.37 115.95 117.27 3hgz h TRP 495 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3hgz h TRP 495 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 3hgz h TRP 495 CO 0.04 0.78 -0.93 0.66 -3.56 0.00 0.00 178.44 175.43 3hgz n TYR 496 N -3.42 0.00 -0.56 0.49 4.02 -1.23 -5.02 117.16 111.44 3hgz n TYR 496 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3hgz n TYR 496 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 3hgz n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hgz n GLY 497 N 2.53 0.66 3.65 2.72 0.00 0.50 -4.92 105.19 110.33 3hgz n GLY 497 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3hgz n GLY 497 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hgz s THR 498 N -2.00 3.25 -0.11 2.61 2.01 -1.22 -4.64 115.64 115.54 3hgz s THR 498 Ca 0.00 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 3hgz s THR 498 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 3hgz s THR 498 CO 0.00 -0.05 1.10 -1.10 -0.69 0.00 0.00 174.62 173.88 3hgz s GLN 499 N 4.54 4.36 0.17 4.92 -1.52 -1.26 -0.96 119.66 129.92 3hgz s GLN 499 Ca 0.84 1.50 -0.18 0.00 -1.95 0.00 0.00 55.36 55.57 3hgz s GLN 499 Cb -0.37 -3.58 0.04 0.00 -0.22 0.00 0.00 33.01 28.87 3hgz s GLN 499 CO 0.36 -0.44 0.51 1.52 -0.25 0.00 0.00 175.29 176.99 3hgz s TYR 500 N 2.38 -0.20 0.08 0.91 1.13 -0.78 -1.79 117.35 119.08 3hgz s TYR 500 Ca 0.51 -0.11 0.08 0.00 -1.41 0.00 0.00 57.07 56.13 3hgz s TYR 500 Cb -0.20 0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 41.02 3hgz s TYR 500 CO 0.17 -0.86 -0.21 0.21 -2.51 0.00 0.00 175.55 172.35 3hgz s LYS 501 N -3.84 1.25 0.12 -3.49 2.20 -0.03 -0.97 119.74 114.98 3hgz s LYS 501 Ca 0.06 -1.07 0.10 0.00 -0.36 0.00 0.00 55.97 54.71 3hgz s LYS 501 Cb -0.00 -1.46 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 3hgz s LYS 501 CO -0.07 0.35 -0.26 -1.14 -0.36 0.00 0.00 175.35 173.88 3hgz s GLN 502 N -1.58 1.38 -0.19 4.03 0.74 -1.26 -1.04 119.66 121.74 3hgz s GLN 502 Ca 0.07 -1.29 -0.20 0.00 0.05 0.00 0.00 55.36 53.99 3hgz s GLN 502 Cb -0.09 -1.81 0.05 0.00 1.10 0.00 0.00 33.01 32.26 3hgz s GLN 502 CO 0.03 0.43 0.55 -1.21 -0.55 0.00 0.00 175.29 174.54 3hgz s GLU 503 N -1.95 0.68 0.15 1.67 2.02 -0.29 -5.00 118.70 115.98 3hgz s GLU 503 Ca 0.12 0.69 -0.31 0.00 0.02 0.00 0.00 54.97 55.50 3hgz s GLU 503 Cb -0.10 0.33 -0.08 0.00 0.10 0.00 0.00 34.13 34.38 3hgz s GLU 503 CO 0.05 -0.10 1.33 0.00 0.02 0.00 0.00 175.26 176.57 3hgz s ALA 504 N 0.11 3.54 0.10 5.21 0.00 -1.26 -0.39 121.76 129.06 3hgz s ALA 504 Ca -0.01 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.72 3hgz s ALA 504 Cb -0.04 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 3hgz s ALA 504 CO 0.02 -0.56 1.41 0.42 0.00 0.00 0.00 175.76 177.05 3hgz s ILE 505 N 0.61 3.34 0.24 0.00 1.01 -0.16 -4.84 121.20 121.40 3hgz s ILE 505 Ca 0.60 0.93 -0.31 0.00 0.00 0.00 0.00 60.65 61.86 3hgz s ILE 505 Cb -0.36 -3.59 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 3hgz s ILE 505 CO 0.34 0.06 1.68 -2.65 0.00 0.00 0.00 174.94 174.37 3hgz n PRO 506 N 4.26 2.77 -0.33 2.79 -0.02 -1.26 -4.86 135.00 138.35 3hgz n PRO 506 Ca 0.12 1.00 0.24 0.00 -2.02 0.00 0.00 63.50 62.83 3hgz n PRO 506 Cb 0.42 -2.82 0.52 0.00 -0.02 0.00 0.00 33.50 31.60 3hgz n PRO 506 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hgz h ASP 507 N 6.07 0.43 -0.74 2.55 3.32 -1.98 0.20 116.42 126.27 3hgz h ASP 507 Ca -0.45 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 3hgz h ASP 507 Cb 1.21 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 3hgz h ASP 507 CO 0.90 0.06 0.35 -0.08 -1.72 0.00 0.00 179.24 178.75 3hgz h GLU 508 N 0.37 1.09 -0.15 3.56 4.22 -1.99 -0.88 114.58 120.80 3hgz h GLU 508 Ca 0.61 -0.16 -0.05 0.00 0.08 0.00 0.00 59.36 59.84 3hgz h GLU 508 Cb 1.59 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 3hgz h GLU 508 CO -0.31 0.85 -0.12 0.28 -2.18 0.00 0.00 179.01 177.53 3hgz h VAL 509 N 1.08 1.34 -0.52 0.32 2.07 -0.98 -2.07 116.25 117.49 3hgz h VAL 509 Ca 0.26 -1.25 0.10 0.00 0.82 0.00 0.00 66.70 66.63 3hgz h VAL 509 Cb 0.13 1.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.64 3hgz h VAL 509 CO -0.03 0.37 -0.13 0.40 0.02 0.00 0.00 177.57 178.19 3hgz h ILE 510 N -0.02 0.47 -0.17 4.57 1.08 -1.27 -1.66 117.51 120.52 3hgz h ILE 510 Ca 0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 3hgz h ILE 510 Cb 0.64 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 3hgz h ILE 510 CO 0.03 0.00 -0.18 0.50 -0.69 0.00 0.00 178.15 177.81 3hgz h LYS 511 N -0.00 -0.20 -0.63 2.37 1.63 -1.12 0.75 116.57 119.37 3hgz h LYS 511 Ca 0.25 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.18 3hgz h LYS 511 Cb 0.38 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.97 3hgz h LYS 511 CO -0.54 -0.13 0.17 0.87 -3.45 0.00 0.00 179.45 176.36 3hgz h LYS 512 N -0.21 0.30 -0.05 1.90 1.57 -0.66 -0.23 116.57 119.19 3hgz h LYS 512 Ca 0.11 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3hgz h LYS 512 Cb 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hgz h LYS 512 CO -0.29 0.20 -0.31 -1.49 -0.57 0.00 0.00 179.45 176.98 3hgz h TRP 513 N 0.31 0.10 0.00 -1.35 6.55 -0.52 -2.71 115.95 118.32 3hgz h TRP 513 Ca 0.33 -0.02 -0.05 0.00 0.95 0.00 0.00 58.89 60.10 3hgz h TRP 513 Cb 0.49 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 3hgz h TRP 513 CO -0.23 0.40 -0.26 1.96 -1.05 0.00 0.00 178.44 179.26 3hgz h GLN 514 N 0.08 0.00 -1.03 0.49 4.20 0.87 -3.08 115.11 116.64 3hgz h GLN 514 Ca 0.01 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.20 3hgz h GLN 514 Cb 0.60 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.10 3hgz h GLN 514 CO 0.04 0.26 0.67 0.09 -0.67 0.00 0.00 178.83 179.22 3hgz n ASN 515 N -3.36 4.91 -4.64 1.46 3.02 -0.68 -4.98 115.26 110.99 3hgz n ASN 515 Ca 0.01 -3.54 -0.43 0.00 -0.03 0.00 0.00 54.58 50.59 3hgz n ASN 515 Cb 0.48 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3hgz n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hgz s ALA 516 N -3.17 3.36 1.05 5.41 0.00 -1.17 -4.99 121.76 122.25 3hgz s ALA 516 Ca 0.54 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3hgz s ALA 516 Cb 0.45 -3.84 0.22 0.00 0.00 0.00 0.00 23.12 19.95 3hgz s ALA 516 CO 0.07 -1.82 1.07 -0.51 0.00 0.00 0.00 175.76 174.57 3hgz s ASP 517 N 4.30 2.02 0.27 0.00 -0.00 -1.26 -4.83 116.67 117.17 3hgz s ASP 517 Ca 0.76 1.48 -0.29 0.00 -0.00 0.00 0.00 52.55 54.49 3hgz s ASP 517 Cb -0.29 -2.18 -0.09 0.00 -0.00 0.00 0.00 42.92 40.35 3hgz s ASP 517 CO 0.31 -3.55 1.16 -0.76 -0.00 0.00 0.00 175.17 172.33 3hgz s LEU 518 N -6.79 4.51 -0.18 1.23 1.43 -1.26 -4.63 118.68 113.00 3hgz s LEU 518 Ca 0.67 2.36 -0.01 0.00 -1.03 0.00 0.00 54.13 56.11 3hgz s LEU 518 Cb -0.22 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3hgz s LEU 518 CO 0.61 -0.27 -0.11 0.21 0.23 0.00 0.00 176.35 177.02 3hgz s ASN 519 N -0.61 3.95 0.62 2.29 3.84 -1.26 -5.03 114.94 118.74 3hgz s ASN 519 Ca 0.47 -0.42 0.34 0.00 0.21 0.00 0.00 52.86 53.46 3hgz s ASN 519 Cb -0.34 -1.64 1.98 0.00 -0.55 0.00 0.00 41.25 40.70 3hgz s ASN 519 CO 0.43 0.06 2.25 1.23 -2.79 0.00 0.00 177.10 178.28 3hgz h GLY 520 N 7.52 0.00 2.00 1.21 0.00 -2.01 -2.31 103.07 109.48 3hgz h GLY 520 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hgz h GLY 520 CO 0.59 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.41 3hgz n LYS 521 N -3.56 0.09 -3.42 4.80 5.02 -1.26 -4.75 118.16 115.08 3hgz n LYS 521 Ca -0.02 0.28 -0.38 0.00 -2.02 0.00 0.00 58.31 56.16 3hgz n LYS 521 Cb 0.13 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.41 3hgz n LYS 521 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3hgz s PHE 522 N -3.12 3.32 0.02 2.13 2.99 -0.87 -4.59 117.98 117.86 3hgz s PHE 522 Ca 0.07 0.50 0.03 0.00 0.00 0.00 0.00 56.93 57.53 3hgz s PHE 522 Cb 0.11 -2.51 -0.02 0.00 0.00 0.00 0.00 43.02 40.60 3hgz s PHE 522 CO 0.37 -0.08 -0.10 0.15 -0.00 0.00 0.00 175.22 175.56 3hgz s LYS 523 N 1.56 0.68 0.68 0.44 1.02 -0.30 -4.96 119.74 118.86 3hgz s LYS 523 Ca 0.16 -0.56 -0.17 0.00 0.02 0.00 0.00 55.97 55.42 3hgz s LYS 523 Cb -0.15 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.53 3hgz s LYS 523 CO 0.08 0.15 1.00 1.28 -0.92 0.00 0.00 175.35 176.94 3hgz n LEU 524 N 2.17 3.87 -4.76 3.17 4.32 -1.26 -4.25 117.00 120.25 3hgz n LEU 524 Ca -0.17 0.73 -0.32 0.00 -0.02 0.00 0.00 56.01 56.22 3hgz n LEU 524 Cb 0.56 -1.42 0.07 0.00 -1.62 0.00 0.00 43.42 41.01 3hgz n LEU 524 CO 0.23 -1.87 0.73 -2.16 -1.22 0.00 0.00 177.39 173.10 3hgz s PRO 525 N -3.16 2.53 0.54 3.23 0.04 -1.26 -4.94 135.00 131.97 3hgz s PRO 525 Ca 0.76 1.36 0.03 0.00 0.04 0.00 0.00 61.00 63.19 3hgz s PRO 525 Cb -0.37 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.29 3hgz s PRO 525 CO 0.48 -1.46 0.75 0.95 0.04 0.00 0.00 177.00 177.76 3hgz s THR 526 N -2.49 2.66 -0.02 1.26 -4.23 -1.26 -5.01 115.64 106.55 3hgz s THR 526 Ca 0.66 -0.76 -0.40 0.00 -1.18 0.00 0.00 61.69 60.01 3hgz s THR 526 Cb -0.20 -2.90 -0.19 0.00 1.34 0.00 0.00 72.50 70.54 3hgz s THR 526 CO 0.47 0.00 1.16 1.17 -0.54 0.00 0.00 174.62 176.87 3hgz n LYS 527 N -2.26 0.22 -2.49 3.99 4.81 -1.26 -4.85 118.16 116.32 3hgz n LYS 527 Ca 0.09 0.08 -0.41 0.00 -0.87 0.00 0.00 58.31 57.20 3hgz n LYS 527 Cb 0.60 -1.61 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 3hgz n LYS 527 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3hgz s ASN 528 N 0.31 6.13 0.00 3.14 3.84 -1.26 -4.89 114.94 122.21 3hgz s ASN 528 Ca 0.91 -0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.89 3hgz s ASN 528 Cb -1.22 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 37.33 3hgz s ASN 528 CO 0.57 -1.80 1.26 -0.62 -2.79 0.00 0.00 177.10 173.72 3hgz n GLU 529 N 9.09 0.03 0.09 0.43 -0.58 -1.26 -3.02 120.64 125.42 3hgz n GLU 529 Ca 0.07 0.31 0.10 0.00 -0.42 0.00 0.00 57.16 57.22 3hgz n GLU 529 Cb 0.49 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 3hgz n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3hgz n PHE 530 N -1.45 0.89 -1.53 -0.32 3.01 -1.26 -4.91 117.46 111.90 3hgz n PHE 530 Ca 0.03 0.26 -0.59 0.00 1.01 0.00 0.00 57.45 58.16 3hgz n PHE 530 Cb 0.10 -0.94 -0.09 0.00 -0.01 0.00 0.00 39.48 38.55 3hgz n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3hgz n ILE 531 N -2.66 0.00 -2.82 4.37 2.08 -1.17 -4.86 119.36 114.30 3hgz n ILE 531 Ca -0.01 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 62.95 3hgz n ILE 531 Cb 0.58 -0.41 -0.07 0.00 -0.75 0.00 0.00 39.64 38.99 3hgz n ILE 531 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3hgz s PRO 532 N 2.48 4.34 0.00 0.38 0.04 -1.26 -4.95 135.00 136.02 3hgz s PRO 532 Ca 0.92 1.17 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3hgz s PRO 532 Cb -1.31 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 30.83 3hgz s PRO 532 CO 0.71 0.08 0.00 0.25 0.04 0.00 0.00 177.00 178.08 3hgz n THR 533 N -0.23 0.00 -3.47 1.26 -2.24 -1.26 -4.99 114.28 103.35 3hgz n THR 533 Ca 0.05 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 3hgz n THR 533 Cb 0.53 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 3hgz n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hgz s ASN 534 N -1.17 6.00 -0.19 3.42 2.47 -1.26 -4.94 114.94 119.27 3hgz s ASN 534 Ca 0.00 -1.24 0.16 0.00 0.42 0.00 0.00 52.86 52.21 3hgz s ASN 534 Cb 0.00 -2.12 0.58 0.00 -1.45 0.00 0.00 41.25 38.26 3hgz s ASN 534 CO 0.00 -0.56 1.48 0.49 -3.72 0.00 0.00 177.10 174.80 3hgz n PHE 535 N 5.12 1.15 -2.17 0.43 3.01 -1.26 -4.54 117.46 119.19 3hgz n PHE 535 Ca -0.12 -0.85 -0.41 0.00 1.01 0.00 0.00 57.45 57.09 3hgz n PHE 535 Cb 0.44 -0.35 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 3hgz n PHE 535 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hgz s GLU 536 N -2.81 4.39 -0.53 -1.08 -1.05 -1.26 -4.59 118.70 111.76 3hgz s GLU 536 Ca 0.44 2.14 -0.23 0.00 -0.15 0.00 0.00 54.97 57.18 3hgz s GLU 536 Cb 0.35 -3.12 0.05 0.00 -0.44 0.00 0.00 34.13 30.97 3hgz s GLU 536 CO 0.10 -0.19 0.84 0.42 0.95 0.00 0.00 175.26 177.38 3hgz s ILE 537 N -0.66 4.55 0.24 1.83 -1.09 -1.26 -4.88 121.20 119.93 3hgz s ILE 537 Ca 0.52 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 3hgz s ILE 537 Cb -0.38 -4.46 -0.14 0.00 -1.58 0.00 0.00 42.46 35.90 3hgz s ILE 537 CO 0.46 -1.00 1.16 0.18 -1.23 0.00 0.00 174.94 174.51 3hgz n LEU 538 N 7.04 2.07 -4.73 2.97 4.77 -1.26 -4.91 117.00 122.94 3hgz n LEU 538 Ca -0.01 1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 56.78 3hgz n LEU 538 Cb 0.47 -1.30 0.08 0.00 -2.33 0.00 0.00 43.42 40.34 3hgz n LEU 538 CO 0.60 -1.13 0.83 -2.16 -1.33 0.00 0.00 177.39 174.20 3hgz s PRO 539 N -0.94 2.31 -0.17 3.23 0.04 -1.26 -4.89 135.00 133.31 3hgz s PRO 539 Ca 0.65 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 3hgz s PRO 539 Cb -0.73 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 3hgz s PRO 539 CO 0.55 -1.73 1.49 -1.17 0.04 0.00 0.00 177.00 176.18 3hgz s LEU 540 N -4.86 4.08 0.66 -3.56 2.96 -1.26 -4.97 118.68 111.72 3hgz s LEU 540 Ca 0.77 1.74 -0.18 0.00 -0.22 0.00 0.00 54.13 56.24 3hgz s LEU 540 Cb -0.31 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.83 3hgz s LEU 540 CO 0.43 -1.02 1.21 -0.62 -1.32 0.00 0.00 176.35 175.03 3hgz n GLU 541 N 7.20 0.98 0.07 1.98 1.02 -1.26 -4.90 120.64 125.73 3hgz n GLU 541 Ca 0.17 0.39 0.18 0.00 -0.02 0.00 0.00 57.16 57.87 3hgz n GLU 541 Cb 0.45 -2.44 0.70 0.00 -0.02 0.00 0.00 31.44 30.12 3hgz n GLU 541 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hgz h LYS 542 N 0.38 0.00 -0.20 3.49 1.57 -2.06 -2.50 116.57 117.25 3hgz h LYS 542 Ca -0.50 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 3hgz h LYS 542 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 3hgz h LYS 542 CO 0.52 0.00 -0.12 0.39 -0.57 0.00 0.00 179.45 179.66 3hgz n GLU 543 N -4.33 1.94 -1.73 3.15 1.02 -1.26 -5.01 120.64 114.42 3hgz n GLU 543 Ca 0.07 -3.02 -0.41 0.00 -0.02 0.00 0.00 57.16 53.78 3hgz n GLU 543 Cb 0.48 -1.73 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 3hgz n GLU 543 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgz n ALA 544 N -1.04 1.60 -2.45 0.62 0.00 -0.94 -5.03 120.51 113.27 3hgz n ALA 544 Ca 0.25 0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.69 3hgz n ALA 544 Cb 0.87 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 3hgz n ALA 544 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hgz s THR 545 N -1.20 2.08 0.32 0.00 -4.23 -1.26 -5.05 115.64 106.30 3hgz s THR 545 Ca 0.61 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3hgz s THR 545 Cb -0.48 -1.91 0.29 0.00 1.34 0.00 0.00 72.50 71.73 3hgz s THR 545 CO 0.58 -0.09 1.91 1.55 -0.54 0.00 0.00 174.62 178.03 3hgz h PRO 546 N 3.59 0.92 -6.16 3.99 0.13 -1.96 -3.43 132.00 129.07 3hgz h PRO 546 Ca -0.47 -0.06 -0.53 0.00 -0.87 0.00 0.00 66.00 64.08 3hgz h PRO 546 Cb 1.19 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 32.05 3hgz h PRO 546 CO 0.44 0.61 -0.53 0.71 -0.23 0.00 0.00 178.00 179.00 3hgz s TYR 547 N -5.85 2.83 0.42 1.56 2.02 -1.26 -5.05 117.35 112.03 3hgz s TYR 547 Ca -0.11 -0.28 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 3hgz s TYR 547 Cb 0.20 -1.57 -0.09 0.00 -0.40 0.00 0.00 41.96 40.10 3hgz s TYR 547 CO 0.79 0.37 1.39 -2.30 -1.57 0.00 0.00 175.55 174.23 3hgz n PRO 548 N -1.18 2.22 -4.36 -1.71 -0.02 -1.26 -4.82 135.00 123.87 3hgz n PRO 548 Ca -0.04 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.89 3hgz n PRO 548 Cb 0.60 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 3hgz n PRO 548 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hgz s ALA 549 N -1.18 3.25 -0.75 3.55 0.00 0.99 -4.78 121.76 122.85 3hgz s ALA 549 Ca 0.59 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 51.41 3hgz s ALA 549 Cb -0.48 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.27 3hgz s ALA 549 CO 0.59 0.62 1.47 -1.17 0.00 0.00 0.00 175.76 177.27 3hgz s LEU 550 N -1.21 3.23 0.00 0.00 2.96 -1.26 -0.64 118.68 121.76 3hgz s LEU 550 Ca 0.16 -0.40 0.22 0.00 -0.22 0.00 0.00 54.13 53.89 3hgz s LEU 550 Cb -0.11 -2.55 0.55 0.00 0.50 0.00 0.00 46.19 44.57 3hgz s LEU 550 CO 0.06 -1.97 1.47 2.30 -1.32 0.00 0.00 176.35 176.89 3hgz n ILE 551 N 6.72 0.86 -3.61 6.68 -5.35 -0.11 -4.86 119.36 119.69 3hgz n ILE 551 Ca 0.13 -0.93 -0.03 0.00 -0.27 0.00 0.00 62.75 61.65 3hgz n ILE 551 Cb 0.50 0.64 -0.06 0.00 -1.74 0.00 0.00 39.64 38.98 3hgz n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3hgz s LYS 552 N -1.12 0.50 -0.41 6.28 2.20 -1.22 -4.95 119.74 121.01 3hgz s LYS 552 Ca 0.44 0.95 0.05 0.00 -0.36 0.00 0.00 55.97 57.05 3hgz s LYS 552 Cb 0.23 0.25 0.20 0.00 -1.51 0.00 0.00 37.83 37.00 3hgz s LYS 552 CO 0.31 -0.12 0.41 -3.47 -0.36 0.00 0.00 175.35 172.12 3hgz n ASP 553 N 4.30 -0.19 -4.79 1.43 2.03 -1.26 -0.52 116.55 117.55 3hgz n ASP 553 Ca -0.17 -2.50 -0.30 0.00 0.52 0.00 0.00 54.79 52.34 3hgz n ASP 553 Cb 0.56 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 3hgz n ASP 553 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hgz s THR 554 N -0.42 1.49 0.18 5.18 -4.23 -0.47 -5.01 115.64 112.37 3hgz s THR 554 Ca 0.34 -1.82 -0.13 0.00 -1.18 0.00 0.00 61.69 58.90 3hgz s THR 554 Cb 0.09 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.70 3hgz s THR 554 CO -0.17 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.67 3hgz h ALA 555 N 1.21 0.60 0.00 3.99 0.00 -2.00 -2.85 119.26 120.23 3hgz h ALA 555 Ca -0.42 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 3hgz h ALA 555 Cb 1.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3hgz h ALA 555 CO 0.69 -0.20 -0.90 1.98 0.00 0.00 0.00 179.25 180.82 3hgz h MET 556 N 0.37 0.27 -1.96 0.00 1.85 -1.91 -3.39 114.93 110.17 3hgz h MET 556 Ca 0.23 -0.30 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 3hgz h MET 556 Cb 0.22 0.09 -0.20 0.00 0.43 0.00 0.00 31.60 32.14 3hgz h MET 556 CO -0.22 1.01 0.21 -1.54 -0.40 0.00 0.00 176.91 175.96 3hgz s SER 557 N -6.98 -0.66 -0.22 1.39 1.04 -1.07 -0.91 113.70 106.29 3hgz s SER 557 Ca -0.04 0.86 -0.00 0.00 0.48 0.00 0.00 55.95 57.25 3hgz s SER 557 Cb 0.10 0.74 0.06 0.00 0.10 0.00 0.00 66.02 67.01 3hgz s SER 557 CO 0.84 -0.50 -0.03 -0.75 0.98 0.00 0.00 173.24 173.78 3hgz s LYS 558 N -0.80 1.33 -0.29 4.02 2.20 0.56 -1.37 119.74 125.39 3hgz s LYS 558 Ca -0.08 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.67 3hgz s LYS 558 Cb -0.01 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 3hgz s LYS 558 CO 0.07 -0.61 0.07 -1.17 -0.36 0.00 0.00 175.35 173.35 3hgz s LEU 559 N 1.54 3.74 -0.14 5.43 2.96 0.32 -1.86 118.68 130.67 3hgz s LEU 559 Ca -0.04 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.07 3hgz s LEU 559 Cb -0.18 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 3hgz s LEU 559 CO -0.07 -0.17 0.28 0.26 -1.32 0.00 0.00 176.35 175.33 3hgz s TRP 560 N 1.50 3.50 -0.01 5.38 0.52 0.46 -0.93 118.94 129.36 3hgz s TRP 560 Ca 0.03 0.62 -0.01 0.00 0.02 0.00 0.00 56.10 56.76 3hgz s TRP 560 Cb -0.17 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.87 3hgz s TRP 560 CO 0.02 0.34 0.02 0.12 0.02 0.00 0.00 176.95 177.47 3hgz s PHE 561 N 0.11 -0.02 -0.14 -1.98 5.36 0.19 -0.65 117.98 120.85 3hgz s PHE 561 Ca 0.17 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.13 3hgz s PHE 561 Cb -0.13 -0.00 0.06 0.00 -0.34 0.00 0.00 43.02 42.61 3hgz s PHE 561 CO 0.05 -0.01 0.32 0.21 -1.46 0.00 0.00 175.22 174.32 3hgz s LYS 562 N 0.06 0.25 0.20 10.12 2.20 -0.81 -0.00 119.74 131.75 3hgz s LYS 562 Ca -0.00 0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 3hgz s LYS 562 Cb -0.01 0.00 -0.08 0.00 -1.51 0.00 0.00 37.83 36.24 3hgz s LYS 562 CO -0.00 -0.22 1.06 -1.14 -0.36 0.00 0.00 175.35 174.69 3hgz s GLN 563 N 1.88 4.66 -0.01 4.03 0.74 -1.26 -2.65 119.66 127.04 3hgz s GLN 563 Ca -0.05 1.66 -0.30 0.00 0.05 0.00 0.00 55.36 56.72 3hgz s GLN 563 Cb -0.11 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.65 3hgz s GLN 563 CO -0.10 0.19 1.87 0.34 -0.55 0.00 0.00 175.29 177.04 3hgz s ASP 564 N -0.39 6.46 -0.20 6.67 2.15 -0.01 -4.85 116.67 126.50 3hgz s ASP 564 Ca 0.47 2.46 0.15 0.00 0.43 0.00 0.00 52.55 56.07 3hgz s ASP 564 Cb -0.28 -2.53 0.59 0.00 -0.30 0.00 0.00 42.92 40.39 3hgz s ASP 564 CO 0.35 -1.07 1.50 -0.90 -0.17 0.00 0.00 175.17 174.87 3hgz n ASP 565 N 7.67 4.13 0.11 -0.34 3.85 -1.26 -4.80 116.55 125.91 3hgz n ASP 565 Ca 0.20 -3.07 0.00 0.00 -0.71 0.00 0.00 54.79 51.21 3hgz n ASP 565 Cb 0.42 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 3hgz n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3hgz n LYS 566 N -0.37 0.00 0.06 0.11 5.02 -1.26 -4.97 118.16 116.76 3hgz n LYS 566 Ca 0.24 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 3hgz n LYS 566 Cb 0.98 -0.22 -0.04 0.00 -0.02 0.00 0.00 35.03 35.74 3hgz n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hgz n PHE 567 N -3.49 0.62 -4.25 2.13 3.01 -1.26 -5.01 117.46 109.21 3hgz n PHE 567 Ca 0.00 0.18 -0.36 0.00 1.01 0.00 0.00 57.45 58.28 3hgz n PHE 567 Cb 0.00 -0.77 -0.06 0.00 -0.01 0.00 0.00 39.48 38.64 3hgz n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3hgz n PHE 568 N -2.46 -1.29 -4.28 1.38 3.01 -1.26 -5.00 117.46 107.56 3hgz n PHE 568 Ca -0.01 0.43 -0.30 0.00 1.01 0.00 0.00 57.45 58.59 3hgz n PHE 568 Cb 0.54 -2.78 -0.10 0.00 -0.01 0.00 0.00 39.48 37.12 3hgz n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3hgz s LEU 569 N -7.43 2.91 -1.13 4.37 1.43 -1.26 -4.98 118.68 112.58 3hgz s LEU 569 Ca 0.15 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3hgz s LEU 569 Cb -0.09 -1.72 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 3hgz s LEU 569 CO 0.99 0.18 2.21 -0.81 0.23 0.00 0.00 176.35 179.16 3hgz n PRO 570 N 0.79 2.36 -3.96 1.29 -0.04 -1.26 -4.52 135.00 129.66 3hgz n PRO 570 Ca -0.14 -2.03 -0.09 0.00 -0.04 0.00 0.00 63.50 61.20 3hgz n PRO 570 Cb 0.52 -2.90 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 3hgz n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hgz s LYS 571 N 3.70 0.46 0.01 0.54 1.02 -1.26 -2.33 119.74 121.89 3hgz s LYS 571 Ca 0.52 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.77 3hgz s LYS 571 Cb 0.14 0.18 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 3hgz s LYS 571 CO -0.00 -0.10 0.11 0.00 -0.92 0.00 0.00 175.35 174.44 3hgz s ALA 572 N -2.08 -0.23 -0.15 5.17 0.00 0.53 -0.70 121.76 124.30 3hgz s ALA 572 Ca -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3hgz s ALA 572 Cb -0.05 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.23 3hgz s ALA 572 CO -0.03 -0.23 -0.19 -0.80 0.00 0.00 0.00 175.76 174.51 3hgz s ASN 573 N -1.56 3.31 -0.25 0.00 0.02 0.44 -2.16 114.94 114.74 3hgz s ASN 573 Ca -0.13 -0.56 0.02 0.00 -1.02 0.00 0.00 52.86 51.18 3hgz s ASN 573 Cb -0.06 -1.49 0.05 0.00 0.02 0.00 0.00 41.25 39.77 3hgz s ASN 573 CO -0.00 0.08 -0.12 -0.76 0.02 0.00 0.00 177.10 176.32 3hgz s LEU 574 N 0.83 3.26 -0.14 0.60 1.43 -0.10 -1.36 118.68 123.20 3hgz s LEU 574 Ca -0.06 -1.27 0.01 0.00 -1.03 0.00 0.00 54.13 51.78 3hgz s LEU 574 Cb -0.15 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 3hgz s LEU 574 CO -0.02 -0.16 -0.17 0.20 0.23 0.00 0.00 176.35 176.43 3hgz s ASN 575 N 1.14 3.56 -0.09 2.29 0.02 0.11 -0.60 114.94 121.36 3hgz s ASN 575 Ca -0.06 -0.48 0.02 0.00 -1.02 0.00 0.00 52.86 51.31 3hgz s ASN 575 Cb -0.19 -1.53 0.02 0.00 0.02 0.00 0.00 41.25 39.56 3hgz s ASN 575 CO -0.06 0.11 -0.13 -0.36 0.02 0.00 0.00 177.10 176.67 3hgz s PHE 576 N 0.69 1.75 -0.30 2.20 0.40 0.73 -0.78 117.98 122.66 3hgz s PHE 576 Ca -0.08 -0.78 -0.07 0.00 -0.60 0.00 0.00 56.93 55.40 3hgz s PHE 576 Cb -0.16 -1.29 0.01 0.00 0.51 0.00 0.00 43.02 42.10 3hgz s PHE 576 CO 0.02 -0.42 0.08 -2.00 0.70 0.00 0.00 175.22 173.61 3hgz s GLU 577 N 0.97 3.08 -0.26 0.44 2.56 0.15 -1.19 118.70 124.45 3hgz s GLU 577 Ca -0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 54.97 53.93 3hgz s GLU 577 Cb -0.15 -3.39 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 3hgz s GLU 577 CO -0.01 -0.45 0.15 -0.06 -0.56 0.00 0.00 175.26 174.33 3hgz s PHE 578 N 1.50 3.21 -0.19 5.30 0.40 0.23 -1.00 117.98 127.42 3hgz s PHE 578 Ca 0.02 0.02 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 3hgz s PHE 578 Cb -0.17 -2.31 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 3hgz s PHE 578 CO 0.03 -0.14 0.23 -0.06 0.70 0.00 0.00 175.22 175.97 3hgz s PHE 579 N 1.51 3.41 -0.05 0.36 0.40 0.37 -0.62 117.98 123.36 3hgz s PHE 579 Ca 0.07 0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 56.81 3hgz s PHE 579 Cb -0.15 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.12 3hgz s PHE 579 CO 0.08 0.20 0.12 0.45 0.70 0.00 0.00 175.22 176.77 3hgz s SER 580 N 0.59 -0.11 0.17 1.36 0.15 -0.38 -2.77 113.70 112.71 3hgz s SER 580 Ca 0.12 0.25 0.19 0.00 0.70 0.00 0.00 55.95 57.21 3hgz s SER 580 Cb -0.13 0.20 0.82 0.00 -1.71 0.00 0.00 66.02 65.20 3hgz s SER 580 CO 0.02 -0.09 1.57 -0.81 1.20 0.00 0.00 173.24 175.14 3hgz n PRO 581 N 3.60 0.12 0.00 5.44 -0.04 -1.26 -2.84 135.00 140.02 3hgz n PRO 581 Ca -0.19 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 3hgz n PRO 581 Cb 0.55 -1.75 0.38 0.00 -0.04 0.00 0.00 33.50 32.65 3hgz n PRO 581 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hgz n PHE 582 N -1.97 0.00 0.34 0.54 3.01 -1.26 -2.64 117.46 115.48 3hgz n PHE 582 Ca 0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.62 3hgz n PHE 582 Cb 0.17 -0.20 0.41 0.00 -0.01 0.00 0.00 39.48 39.84 3hgz n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hgz h ALA 583 N 3.36 1.00 0.00 4.37 0.00 -1.84 -3.36 119.26 122.80 3hgz h ALA 583 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hgz h ALA 583 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hgz h ALA 583 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 179.25 180.23 3hgz n TYR 584 N -2.82 0.00 -0.32 0.00 4.19 -1.25 -3.43 117.16 113.54 3hgz n TYR 584 Ca 0.03 0.00 0.30 0.00 3.31 0.00 0.00 57.90 61.54 3hgz n TYR 584 Cb 0.40 0.04 0.65 0.00 0.49 0.00 0.00 39.34 40.93 3hgz n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 3hgz h VAL 585 N 2.32 0.45 -3.10 2.97 3.04 -1.65 -3.44 116.25 116.85 3hgz h VAL 585 Ca 0.00 -0.05 0.05 0.00 -1.01 0.00 0.00 66.70 65.69 3hgz h VAL 585 Cb 0.83 0.28 -0.06 0.00 -2.01 0.00 0.00 31.29 30.34 3hgz h VAL 585 CO 0.00 0.03 0.18 1.51 -1.01 0.00 0.00 177.57 178.28 3hgz s ASP 586 N -5.20 -0.23 0.19 3.17 1.47 -1.26 -5.03 116.67 109.77 3hgz s ASP 586 Ca -0.07 -0.66 -0.14 0.00 1.18 0.00 0.00 52.55 52.86 3hgz s ASP 586 Cb 0.24 0.71 0.19 0.00 -0.34 0.00 0.00 42.92 43.72 3hgz s ASP 586 CO 0.80 -1.32 1.67 -0.65 0.68 0.00 0.00 175.17 176.35 3hgz h PRO 587 N 2.04 0.08 -0.87 2.11 0.11 -1.92 -0.59 132.00 132.95 3hgz h PRO 587 Ca -0.20 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.01 3hgz h PRO 587 Cb 1.25 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 3hgz h PRO 587 CO 0.25 0.05 0.51 1.25 -0.21 0.00 0.00 178.00 179.85 3hgz h LEU 588 N 0.08 0.71 -0.52 2.35 5.85 -1.90 -1.15 115.31 120.74 3hgz h LEU 588 Ca 0.25 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.88 3hgz h LEU 588 Cb 0.39 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hgz h LEU 588 CO -0.45 0.38 -0.37 0.45 -0.34 0.00 0.00 178.44 178.12 3hgz h HIS 589 N 0.81 0.96 0.10 1.25 3.86 -1.65 -1.72 115.15 118.75 3hgz h HIS 589 Ca 0.43 -0.27 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3hgz h HIS 589 Cb 0.44 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 3hgz h HIS 589 CO -0.05 1.05 -0.37 0.77 0.86 0.00 0.00 177.93 180.19 3hgz h SER 590 N 0.67 -1.09 -0.76 2.45 0.02 -0.49 0.12 113.55 114.46 3hgz h SER 590 Ca 0.06 0.13 0.16 0.00 -0.84 0.00 0.00 61.79 61.30 3hgz h SER 590 Cb 0.92 0.42 -0.11 0.00 0.14 0.00 0.00 62.40 63.77 3hgz h SER 590 CO 0.08 -0.45 0.24 0.78 -1.14 0.00 0.00 176.83 176.35 3hgz h ASN 591 N -0.59 0.13 -0.25 3.07 2.35 -1.04 -1.12 115.58 118.13 3hgz h ASN 591 Ca 0.03 0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 3hgz h ASN 591 Cb 0.63 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 3hgz h ASN 591 CO -0.23 0.01 -0.28 0.24 -1.65 0.00 0.00 177.43 175.51 3hgz h MET 592 N 0.34 0.64 -0.42 0.81 2.86 -0.97 -0.77 114.93 117.41 3hgz h MET 592 Ca 0.43 -0.35 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 3hgz h MET 592 Cb 0.73 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 3hgz h MET 592 CO -0.48 0.96 0.03 0.00 1.06 0.00 0.00 176.91 178.48 3hgz h ALA 593 N 0.67 0.42 0.31 6.32 0.00 -0.06 0.17 119.26 127.10 3hgz h ALA 593 Ca 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hgz h ALA 593 Cb 0.85 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hgz h ALA 593 CO 0.07 -0.37 -0.29 -0.92 0.00 0.00 0.00 179.25 177.74 3hgz h TYR 594 N 0.15 -0.80 -0.75 0.00 3.20 -1.18 -2.08 116.97 115.51 3hgz h TYR 594 Ca 0.21 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.22 3hgz h TYR 594 Cb 0.29 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 3hgz h TYR 594 CO -0.25 -0.39 0.31 -0.07 -1.64 0.00 0.00 178.16 176.11 3hgz h LEU 595 N -0.60 0.30 -0.24 2.82 4.07 -0.55 0.31 115.31 121.42 3hgz h LEU 595 Ca -0.04 0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.08 3hgz h LEU 595 Cb 0.51 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.27 3hgz h LEU 595 CO -0.02 0.12 -0.11 0.22 -1.08 0.00 0.00 178.44 177.57 3hgz h TYR 596 N 0.46 -0.26 -0.56 1.13 3.20 -0.65 0.24 116.97 120.53 3hgz h TYR 596 Ca 0.41 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.21 3hgz h TYR 596 Cb 0.61 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3hgz h TYR 596 CO -0.16 -0.17 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.09 3hgz h LEU 597 N -0.07 1.01 -0.57 2.82 4.07 0.25 -0.77 115.31 122.04 3hgz h LEU 597 Ca 0.13 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 3hgz h LEU 597 Cb 0.27 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3hgz h LEU 597 CO -0.29 1.08 0.36 -0.33 -1.08 0.00 0.00 178.44 178.18 3hgz h GLU 598 N 0.90 0.77 -0.32 1.13 4.39 -0.53 -1.82 114.58 119.11 3hgz h GLU 598 Ca 0.16 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3hgz h GLU 598 Cb 0.59 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3hgz h GLU 598 CO 0.04 0.54 0.00 -0.07 -1.16 0.00 0.00 179.01 178.36 3hgz h LEU 599 N 0.77 0.45 0.29 1.33 3.38 -0.28 0.69 115.31 121.95 3hgz h LEU 599 Ca 0.21 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hgz h LEU 599 Cb -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hgz h LEU 599 CO -0.04 0.52 -0.14 0.25 0.09 0.00 0.00 178.44 179.12 3hgz h LEU 600 N 0.47 -0.33 -0.36 1.67 6.46 -0.89 -1.50 115.31 120.82 3hgz h LEU 600 Ca 0.10 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.74 3hgz h LEU 600 Cb 0.30 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 3hgz h LEU 600 CO 0.01 0.06 -0.04 0.11 -0.62 0.00 0.00 178.44 177.95 3hgz h LYS 601 N -0.77 0.05 -0.95 1.25 1.57 -1.18 0.16 116.57 116.70 3hgz h LYS 601 Ca -0.04 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3hgz h LYS 601 Cb 0.50 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 3hgz h LYS 601 CO 0.07 0.03 0.60 0.22 -0.57 0.00 0.00 179.45 179.80 3hgz h ASP 602 N 0.05 0.96 0.64 0.86 1.82 -0.85 -0.17 116.42 119.73 3hgz h ASP 602 Ca 0.18 0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.64 3hgz h ASP 602 Cb 0.26 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 3hgz h ASP 602 CO -0.33 0.60 -0.86 0.77 -1.61 0.00 0.00 179.24 177.81 3hgz h SER 603 N 1.09 0.19 0.73 2.28 4.64 -0.49 -3.03 113.55 118.97 3hgz h SER 603 Ca 0.42 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3hgz h SER 603 Cb 0.20 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hgz h SER 603 CO -0.18 0.96 0.00 0.18 -0.87 0.00 0.00 176.83 176.92 3hgz n LEU 604 N -3.64 0.17 0.19 5.97 4.77 0.50 -4.39 117.00 120.56 3hgz n LEU 604 Ca -0.03 0.53 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 3hgz n LEU 604 Cb 0.80 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3hgz n LEU 604 CO 0.47 -0.23 0.69 -1.13 -1.33 0.00 0.00 177.39 175.85 3hgz h ASN 605 N 0.00 -0.71 -0.78 -1.43 -0.00 -0.93 -0.51 115.58 111.23 3hgz h ASN 605 Ca 0.00 0.06 0.14 0.00 -0.00 0.00 0.00 56.30 56.51 3hgz h ASN 605 Cb 0.37 0.24 -0.10 0.00 -0.00 0.00 0.00 38.32 38.83 3hgz h ASN 605 CO 0.00 -0.39 0.33 -0.33 -0.00 0.00 0.00 177.43 177.04 3hgz h GLU 606 N -0.58 0.46 -0.12 6.67 5.08 -1.77 -0.99 114.58 123.33 3hgz h GLU 606 Ca -0.01 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 3hgz h GLU 606 Cb 0.53 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hgz h GLU 606 CO -0.04 0.31 -0.66 -0.92 -1.00 0.00 0.00 179.01 176.70 3hgz h TYR 607 N 0.47 0.60 0.00 4.33 3.20 -1.75 -3.29 116.97 120.53 3hgz h TYR 607 Ca 0.43 -0.25 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 3hgz h TYR 607 Cb 0.65 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3hgz h TYR 607 CO -0.15 0.99 -0.55 0.00 -1.64 0.00 0.00 178.16 176.81 3hgz h ALA 608 N 0.95 0.66 -0.52 1.82 0.00 0.10 -3.33 119.26 118.94 3hgz h ALA 608 Ca -0.02 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.50 3hgz h ALA 608 Cb 1.22 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3hgz h ALA 608 CO 0.12 0.68 -0.01 -0.92 0.00 0.00 0.00 179.25 179.12 3hgz h TYR 609 N 0.00 -0.05 -0.55 0.00 3.20 -1.30 0.12 116.97 118.40 3hgz h TYR 609 Ca -0.01 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.01 3hgz h TYR 609 Cb 1.39 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 39.67 3hgz h TYR 609 CO 0.00 -0.13 -0.00 0.00 -1.64 0.00 0.00 178.16 176.39 3hgz h ALA 610 N 1.47 0.52 -0.75 1.82 0.00 -1.76 0.27 119.26 120.83 3hgz h ALA 610 Ca 0.26 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.39 3hgz h ALA 610 Cb 0.40 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3hgz h ALA 610 CO -0.44 -0.39 0.50 0.00 0.00 0.00 0.00 179.25 178.92 3hgz h ALA 611 N 1.49 1.62 0.02 0.00 0.00 -0.97 -1.81 119.26 119.62 3hgz h ALA 611 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hgz h ALA 611 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hgz h ALA 611 CO -0.46 0.28 -0.01 1.49 0.00 0.00 0.00 179.25 180.54 3hgz h GLU 612 N 0.85 -0.03 -1.09 0.00 4.81 0.30 -0.54 114.58 118.88 3hgz h GLU 612 Ca 0.32 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.86 3hgz h GLU 612 Cb 0.17 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3hgz h GLU 612 CO -0.10 0.45 0.77 -0.07 -0.73 0.00 0.00 179.01 179.33 3hgz h LEU 613 N -0.53 0.07 -1.32 1.64 3.38 -1.08 0.29 115.31 117.76 3hgz h LEU 613 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hgz h LEU 613 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hgz h LEU 613 CO 0.01 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3hgz n ALA 614 N -2.71 2.63 -2.56 1.53 0.00 -0.52 -4.88 120.51 114.00 3hgz n ALA 614 Ca 0.24 -0.57 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 3hgz n ALA 614 Cb 1.11 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.58 3hgz n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgz n GLY 615 N 0.74 0.39 2.68 0.00 0.00 0.09 -4.64 105.19 104.46 3hgz n GLY 615 Ca 0.10 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 3hgz n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hgz s LEU 616 N -2.36 0.85 0.24 0.99 0.20 -0.33 -2.40 118.68 115.87 3hgz s LEU 616 Ca 0.10 -0.77 0.01 0.00 0.69 0.00 0.00 54.13 54.17 3hgz s LEU 616 Cb -0.05 -0.45 -0.05 0.00 -0.43 0.00 0.00 46.19 45.21 3hgz s LEU 616 CO 0.13 -0.33 0.08 -0.94 -0.29 0.00 0.00 176.35 175.00 3hgz s SER 617 N 1.97 1.21 0.02 3.68 1.04 -0.18 -2.71 113.70 118.73 3hgz s SER 617 Ca 0.01 -1.35 -0.03 0.00 0.48 0.00 0.00 55.95 55.06 3hgz s SER 617 Cb -0.17 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 3hgz s SER 617 CO -0.10 -0.70 0.04 -0.72 0.98 0.00 0.00 173.24 172.74 3hgz s TYR 618 N -3.73 0.19 -0.08 5.02 -0.85 -1.26 -0.92 117.35 115.71 3hgz s TYR 618 Ca 0.35 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 3hgz s TYR 618 Cb 0.07 -0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.28 3hgz s TYR 618 CO 0.12 -0.25 -0.13 0.34 -1.52 0.00 0.00 175.55 174.11 3hgz s ASP 619 N -1.55 2.01 -0.18 -0.18 -1.08 0.67 -4.97 116.67 111.39 3hgz s ASP 619 Ca -0.14 -0.34 -0.04 0.00 -0.52 0.00 0.00 52.55 51.51 3hgz s ASP 619 Cb -0.08 -0.92 0.09 0.00 -1.46 0.00 0.00 42.92 40.55 3hgz s ASP 619 CO -0.01 0.03 0.23 -0.22 0.52 0.00 0.00 175.17 175.73 3hgz s LEU 620 N 0.74 -0.17 0.02 -1.34 2.96 -1.26 -0.40 118.68 119.23 3hgz s LEU 620 Ca -0.13 -0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 3hgz s LEU 620 Cb -0.16 0.47 0.01 0.00 0.50 0.00 0.00 46.19 47.01 3hgz s LEU 620 CO 0.03 -0.30 0.24 0.00 -1.32 0.00 0.00 176.35 174.99 3hgz s GLN 621 N 2.35 0.67 0.31 1.98 -2.07 -0.78 -4.91 119.66 117.21 3hgz s GLN 621 Ca 0.06 -0.43 -0.27 0.00 -1.82 0.00 0.00 55.36 52.89 3hgz s GLN 621 Cb -0.15 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 31.96 3hgz s GLN 621 CO -0.11 -0.19 1.01 0.54 -1.32 0.00 0.00 175.29 175.22 3hgz s ASN 622 N -1.72 7.25 0.48 12.60 6.03 -1.26 -0.42 114.94 137.90 3hgz s ASN 622 Ca -0.09 2.03 0.02 0.00 -1.03 0.00 0.00 52.86 53.79 3hgz s ASN 622 Cb -0.04 -2.60 -0.02 0.00 -3.03 0.00 0.00 41.25 35.56 3hgz s ASN 622 CO -0.00 -0.14 0.02 0.42 -2.03 0.00 0.00 177.10 175.37 3hgz s THR 623 N -1.40 1.13 -2.00 0.54 -4.23 0.11 -4.89 115.64 104.90 3hgz s THR 623 Ca 0.48 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.19 3hgz s THR 623 Cb -0.25 -2.26 0.56 0.00 1.34 0.00 0.00 72.50 71.90 3hgz s THR 623 CO 0.31 0.00 1.66 2.30 -0.54 0.00 0.00 174.62 178.35 3hgz n ILE 624 N -1.18 0.00 0.17 2.99 -0.00 -1.26 -2.87 119.36 117.22 3hgz n ILE 624 Ca -0.16 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.61 3hgz n ILE 624 Cb 0.67 -0.45 -0.01 0.00 -0.00 0.00 0.00 39.64 39.85 3hgz n ILE 624 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3hgz n TYR 625 N -0.87 0.00 0.00 4.28 0.53 -1.26 -4.63 117.16 115.21 3hgz n TYR 625 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.03 3hgz n TYR 625 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.38 3hgz n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hgz n GLY 626 N 0.85 0.62 3.21 2.72 0.00 -1.14 -1.25 105.19 110.20 3hgz n GLY 626 Ca 0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 3hgz n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hgz s MET 627 N 0.00 0.95 -0.08 1.61 -1.94 0.21 0.08 119.30 120.13 3hgz s MET 627 Ca 0.00 -1.19 0.04 0.00 -1.71 0.00 0.00 55.69 52.83 3hgz s MET 627 Cb 0.00 -0.77 0.00 0.00 2.01 0.00 0.00 34.83 36.07 3hgz s MET 627 CO 0.00 0.14 -0.21 -0.47 -0.01 0.00 0.00 175.02 174.48 3hgz s TYR 628 N -2.19 2.17 -0.08 -0.03 5.04 0.44 -0.60 117.35 122.09 3hgz s TYR 628 Ca 0.07 -0.79 0.01 0.00 -2.44 0.00 0.00 57.07 53.92 3hgz s TYR 628 Cb -0.04 -1.46 0.02 0.00 0.35 0.00 0.00 41.96 40.82 3hgz s TYR 628 CO 0.02 -0.31 -0.10 -1.17 -1.34 0.00 0.00 175.55 172.64 3hgz s LEU 629 N 0.26 1.48 -0.06 6.97 0.20 -0.33 -1.86 118.68 125.34 3hgz s LEU 629 Ca -0.13 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.43 3hgz s LEU 629 Cb -0.16 -0.83 0.01 0.00 -0.43 0.00 0.00 46.19 44.78 3hgz s LEU 629 CO 0.06 -0.03 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.39 3hgz s SER 630 N 1.06 2.06 -0.11 3.68 0.15 0.47 -0.19 113.70 120.81 3hgz s SER 630 Ca -0.07 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.25 3hgz s SER 630 Cb -0.15 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 3hgz s SER 630 CO -0.01 0.09 -0.16 -0.69 1.20 0.00 0.00 173.24 173.67 3hgz s VAL 631 N 0.38 2.79 0.03 4.45 1.01 0.23 -0.24 120.40 129.05 3hgz s VAL 631 Ca -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3hgz s VAL 631 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3hgz s VAL 631 CO 0.04 0.54 -0.08 -0.54 0.00 0.00 0.00 175.10 175.06 3hgz s LYS 632 N 0.20 0.55 0.00 2.72 1.02 -0.10 -0.92 119.74 123.21 3hgz s LYS 632 Ca -0.10 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3hgz s LYS 632 Cb -0.16 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 3hgz s LYS 632 CO 0.06 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 3hgz n GLY 633 N 1.97 0.68 3.71 -3.33 0.00 -0.92 -1.01 105.19 106.29 3hgz n GLY 633 Ca -0.19 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3hgz n GLY 633 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hgz s TYR 634 N -2.28 2.76 -1.59 1.61 2.02 -1.01 -0.35 117.35 118.52 3hgz s TYR 634 Ca 0.00 0.37 0.08 0.00 -0.37 0.00 0.00 57.07 57.15 3hgz s TYR 634 Cb 0.00 -4.05 0.29 0.00 -0.40 0.00 0.00 41.96 37.80 3hgz s TYR 634 CO 0.00 -4.05 1.16 0.27 -1.57 0.00 0.00 175.55 171.35 3hgz n ASN 635 N 4.48 2.04 0.52 2.29 6.94 -0.98 -4.01 115.26 126.55 3hgz n ASN 635 Ca 0.16 -2.12 -0.20 0.00 -0.02 0.00 0.00 54.58 52.39 3hgz n ASN 635 Cb 0.37 -0.32 -0.10 0.00 -2.36 0.00 0.00 39.78 37.38 3hgz n ASN 635 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 3hgz h ASP 636 N 1.73 -1.12 -0.32 0.53 -0.00 -1.82 -3.38 116.42 112.04 3hgz h ASP 636 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 3hgz h ASP 636 Cb 0.63 0.29 0.00 0.00 -0.00 0.00 0.00 39.33 40.25 3hgz h ASP 636 CO 0.06 -0.80 0.00 0.29 -0.00 0.00 0.00 179.24 178.80 3hgz n LYS 637 N -5.57 3.21 0.04 0.28 5.02 -1.26 -4.69 118.16 115.20 3hgz n LYS 637 Ca -0.16 -2.83 -0.13 0.00 -2.02 0.00 0.00 58.31 53.17 3hgz n LYS 637 Cb 0.52 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 3hgz n LYS 637 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3hgz h GLN 638 N 2.18 -0.07 -1.02 1.97 4.15 -1.75 -2.81 115.11 117.75 3hgz h GLN 638 Ca 0.00 0.01 0.25 0.00 0.77 0.00 0.00 58.65 59.68 3hgz h GLN 638 Cb 1.46 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 29.06 3hgz h GLN 638 CO 0.24 0.16 0.63 -1.35 -1.93 0.00 0.00 178.83 176.58 3hgz h PRO 639 N -0.30 0.49 0.81 -2.39 0.11 -1.87 -1.15 132.00 127.70 3hgz h PRO 639 Ca -0.01 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3hgz h PRO 639 Cb 0.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3hgz h PRO 639 CO 0.01 0.33 -0.48 0.82 -0.21 0.00 0.00 178.00 178.47 3hgz h ILE 640 N 0.51 0.03 -0.41 4.15 2.04 -1.85 -1.43 117.51 120.56 3hgz h ILE 640 Ca 0.62 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.51 3hgz h ILE 640 Cb 1.34 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3hgz h ILE 640 CO -0.39 0.00 0.22 0.25 0.00 0.00 0.00 178.15 178.23 3hgz h LEU 641 N -1.21 0.35 -0.34 1.44 5.85 -1.21 -0.63 115.31 119.56 3hgz h LEU 641 Ca -0.11 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3hgz h LEU 641 Cb 0.96 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 3hgz h LEU 641 CO 0.12 0.25 -0.16 0.25 -0.34 0.00 0.00 178.44 178.56 3hgz h LEU 642 N 0.45 -0.54 -0.94 2.25 6.46 -1.27 0.29 115.31 122.01 3hgz h LEU 642 Ca 0.17 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 58.02 3hgz h LEU 642 Cb 0.04 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 3hgz h LEU 642 CO -0.10 -0.19 0.32 0.50 -0.62 0.00 0.00 178.44 178.35 3hgz h LYS 643 N -0.10 1.08 -0.84 1.25 3.11 -0.72 -1.71 116.57 118.63 3hgz h LYS 643 Ca 0.17 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 3hgz h LYS 643 Cb 0.37 -0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 31.37 3hgz h LYS 643 CO -0.41 0.87 0.39 -0.22 -2.81 0.00 0.00 179.45 177.27 3hgz h LYS 644 N 1.07 1.22 0.63 1.90 1.63 -0.08 -1.67 116.57 121.27 3hgz h LYS 644 Ca 0.25 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3hgz h LYS 644 Cb 0.17 -0.22 0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3hgz h LYS 644 CO -0.03 0.95 -0.30 0.82 -3.45 0.00 0.00 179.45 177.44 3hgz h ILE 645 N 1.21 0.25 -0.06 2.00 2.04 -0.26 -0.50 117.51 122.20 3hgz h ILE 645 Ca 0.29 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3hgz h ILE 645 Cb 0.14 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3hgz h ILE 645 CO -0.03 0.03 -0.20 0.40 0.00 0.00 0.00 178.15 178.34 3hgz h ILE 646 N -1.06 0.51 -0.79 -0.67 1.08 -1.35 0.86 117.51 116.09 3hgz h ILE 646 Ca -0.09 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.57 3hgz h ILE 646 Cb 0.69 0.51 -0.12 0.00 -3.07 0.00 0.00 36.82 34.84 3hgz h ILE 646 CO 0.14 0.00 0.20 -0.08 -0.69 0.00 0.00 178.15 177.72 3hgz h GLU 647 N -0.29 0.25 -0.24 2.37 4.81 -1.33 -0.18 114.58 119.97 3hgz h GLU 647 Ca 0.08 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3hgz h GLU 647 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3hgz h GLU 647 CO -0.23 0.17 -0.04 0.87 -0.73 0.00 0.00 179.01 179.05 3hgz h LYS 648 N 0.26 0.45 -0.07 1.92 1.79 0.62 -2.77 116.57 118.77 3hgz h LYS 648 Ca 0.46 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.72 3hgz h LYS 648 Cb 0.84 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 3hgz h LYS 648 CO -0.56 0.66 -0.18 0.00 -1.08 0.00 0.00 179.45 178.29 3hgz h MET 649 N 0.20 0.10 0.00 3.15 -0.00 -0.17 -1.13 114.93 117.08 3hgz h MET 649 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 3hgz h MET 649 Cb 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 3hgz h MET 649 CO 0.02 0.29 -0.10 0.00 -0.00 0.00 0.00 176.91 177.11 3hgz n ALA 650 N -2.49 2.51 -1.88 -3.00 0.00 -0.15 -3.59 120.51 111.91 3hgz n ALA 650 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.34 3hgz n ALA 650 Cb 0.27 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.37 3hgz n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hgz n THR 651 N -1.72 0.64 -1.70 0.00 -2.24 -1.03 -4.45 114.28 103.78 3hgz n THR 651 Ca 0.06 -1.06 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 3hgz n THR 651 Cb 0.37 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3hgz n THR 651 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hgz n PHE 652 N -0.31 2.37 -4.06 4.78 7.35 -0.46 -4.99 117.46 122.15 3hgz n PHE 652 Ca 0.07 0.46 -0.31 0.00 -0.76 0.00 0.00 57.45 56.90 3hgz n PHE 652 Cb 0.79 -2.46 -0.16 0.00 0.35 0.00 0.00 39.48 38.00 3hgz n PHE 652 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3hgz s GLU 653 N -1.17 2.54 -0.09 -4.13 2.12 -1.26 -5.10 118.70 111.60 3hgz s GLU 653 Ca 0.61 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.96 3hgz s GLU 653 Cb -0.58 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 3hgz s GLU 653 CO 0.56 -0.27 0.71 0.42 -0.54 0.00 0.00 175.26 176.14 3hgz s ILE 654 N 1.38 5.02 -0.22 -3.70 1.01 -1.26 -5.04 121.20 118.39 3hgz s ILE 654 Ca 0.03 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.84 3hgz s ILE 654 Cb -0.14 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3hgz s ILE 654 CO -0.11 0.21 1.06 -0.62 0.00 0.00 0.00 174.94 175.48 3hgz s ASP 655 N 0.89 7.09 0.26 3.58 -1.08 -1.26 -4.96 116.67 121.19 3hgz s ASP 655 Ca 0.37 1.42 -0.10 0.00 -0.52 0.00 0.00 52.55 53.71 3hgz s ASP 655 Cb -0.17 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.13 3hgz s ASP 655 CO 0.17 -0.66 1.51 1.21 0.52 0.00 0.00 175.17 177.91 3hgz n GLU 656 N 6.26 -0.13 -0.01 4.34 4.07 -1.26 -1.49 120.64 132.42 3hgz n GLU 656 Ca 0.12 1.50 -0.11 0.00 -0.06 0.00 0.00 57.16 58.62 3hgz n GLU 656 Cb 0.46 -2.24 0.03 0.00 -0.06 0.00 0.00 31.44 29.63 3hgz n GLU 656 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3hgz h LYS 657 N 0.00 0.63 -0.45 5.31 1.63 -2.00 -2.76 116.57 118.93 3hgz h LYS 657 Ca 0.43 -0.40 -0.10 0.00 -0.85 0.00 0.00 60.65 59.73 3hgz h LYS 657 Cb 0.67 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 3hgz h LYS 657 CO -0.99 1.01 -0.11 0.00 -3.45 0.00 0.00 179.45 175.92 3hgz h ARG 658 N 0.48 0.86 -0.68 1.90 2.47 -1.86 -2.16 114.38 115.40 3hgz h ARG 658 Ca 0.01 -0.33 0.09 0.00 -1.26 0.00 0.00 59.98 58.50 3hgz h ARG 658 Cb 1.11 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.31 3hgz h ARG 658 CO 0.11 0.96 0.31 0.35 0.56 0.00 0.00 179.97 182.26 3hgz h PHE 659 N 0.69 0.55 -0.34 3.04 3.57 -1.21 -0.31 116.94 122.94 3hgz h PHE 659 Ca 0.11 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 3hgz h PHE 659 Cb 0.65 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3hgz h PHE 659 CO 0.05 0.18 -0.01 0.93 -2.23 0.00 0.00 178.31 177.23 3hgz h GLU 660 N 0.53 0.60 0.34 1.11 4.39 -1.26 -1.48 114.58 118.82 3hgz h GLU 660 Ca 0.34 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 3hgz h GLU 660 Cb 0.38 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3hgz h GLU 660 CO -0.28 0.73 -0.16 0.82 -1.16 0.00 0.00 179.01 178.96 3hgz h ILE 661 N 0.40 0.62 -0.68 3.13 2.04 -1.27 -1.89 117.51 119.87 3hgz h ILE 661 Ca 0.09 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3hgz h ILE 661 Cb 0.47 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3hgz h ILE 661 CO 0.02 0.10 0.33 0.40 0.00 0.00 0.00 178.15 179.00 3hgz h ILE 662 N -0.81 0.85 -0.20 -0.67 1.08 -1.11 -1.47 117.51 115.18 3hgz h ILE 662 Ca -0.05 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3hgz h ILE 662 Cb 0.52 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3hgz h ILE 662 CO 0.08 0.10 0.13 0.50 -0.69 0.00 0.00 178.15 178.27 3hgz h LYS 663 N 0.57 0.26 -0.83 2.37 3.64 -1.25 -0.41 116.57 120.92 3hgz h LYS 663 Ca 0.33 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 3hgz h LYS 663 Cb 0.34 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3hgz h LYS 663 CO -0.26 0.17 0.49 1.49 -2.27 0.00 0.00 179.45 179.08 3hgz h GLU 664 N 0.27 0.85 -0.52 1.90 4.22 -0.80 -1.84 114.58 118.66 3hgz h GLU 664 Ca 0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 3hgz h GLU 664 Cb -0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3hgz h GLU 664 CO -0.02 0.57 0.19 0.00 -2.18 0.00 0.00 179.01 177.56 3hgz h ALA 665 N 1.41 0.68 -0.49 2.92 0.00 -0.75 -2.80 119.26 120.24 3hgz h ALA 665 Ca 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hgz h ALA 665 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hgz h ALA 665 CO -0.20 0.31 0.15 -0.92 0.00 0.00 0.00 179.25 178.59 3hgz h TYR 666 N 0.71 0.73 0.04 0.00 3.20 -0.48 0.10 116.97 121.26 3hgz h TYR 666 Ca 0.17 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3hgz h TYR 666 Cb 0.24 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 3hgz h TYR 666 CO 0.01 0.60 -0.02 0.52 -1.64 0.00 0.00 178.16 177.63 3hgz h MET 667 N 0.70 -0.06 -0.66 1.82 2.86 -1.14 -0.73 114.93 117.73 3hgz h MET 667 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3hgz h MET 667 Cb 0.22 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3hgz h MET 667 CO -0.01 -0.04 0.29 0.00 1.06 0.00 0.00 176.91 178.21 3hgz h ARG 668 N -0.06 0.95 0.46 1.72 3.08 -1.16 0.14 114.38 119.51 3hgz h ARG 668 Ca -0.00 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3hgz h ARG 668 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3hgz h ARG 668 CO 0.00 0.75 -0.32 1.03 -1.07 0.00 0.00 179.97 180.36 3hgz h SER 669 N 0.94 -0.83 -0.49 7.04 0.87 -0.54 0.67 113.55 121.21 3hgz h SER 669 Ca 0.23 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 3hgz h SER 669 Cb 0.14 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.29 3hgz h SER 669 CO -0.03 -0.49 0.15 -0.07 -0.53 0.00 0.00 176.83 175.86 3hgz h LEU 670 N -0.77 0.12 -0.51 2.23 3.38 -0.83 -2.37 115.31 116.56 3hgz h LEU 670 Ca -0.05 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hgz h LEU 670 Cb 0.64 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3hgz h LEU 670 CO 0.02 0.09 0.25 0.78 0.09 0.00 0.00 178.44 179.68 3hgz h ASN 671 N 0.31 0.35 0.07 -0.43 2.35 -0.41 -2.67 115.58 115.14 3hgz h ASN 671 Ca 0.24 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3hgz h ASN 671 Cb 0.28 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3hgz h ASN 671 CO -0.27 0.24 0.00 0.59 -1.65 0.00 0.00 177.43 176.34 3hgz n ASN 672 N -4.90 0.00 -0.05 5.81 5.03 0.23 -2.13 115.26 119.25 3hgz n ASN 672 Ca 0.05 0.09 0.05 0.00 0.87 0.00 0.00 54.58 55.64 3hgz n ASN 672 Cb 0.15 -0.19 0.42 0.00 -1.02 0.00 0.00 39.78 39.14 3hgz n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3hgz h PHE 673 N 0.00 0.56 0.00 3.10 3.57 -1.44 -1.42 116.94 121.31 3hgz h PHE 673 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hgz h PHE 673 Cb 0.03 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3hgz h PHE 673 CO 0.00 0.33 0.00 2.89 -2.23 0.00 0.00 178.31 179.30 3hgz n ARG 674 N -4.47 0.02 0.00 1.11 1.85 -0.91 -0.99 116.66 113.27 3hgz n ARG 674 Ca 0.05 0.28 0.07 0.00 -1.00 0.00 0.00 57.85 57.26 3hgz n ARG 674 Cb 0.13 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 3hgz n ARG 674 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hgz n ALA 675 N -1.30 3.37 -1.34 2.89 0.00 -0.53 -4.25 120.51 119.36 3hgz n ALA 675 Ca 0.01 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 3hgz n ALA 675 Cb 0.01 -0.52 0.09 0.00 0.00 0.00 0.00 19.45 19.03 3hgz n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hgz s GLU 676 N -1.99 2.21 0.50 0.00 0.41 -0.16 -4.92 118.70 114.74 3hgz s GLU 676 Ca 0.10 1.64 -0.22 0.00 -0.41 0.00 0.00 54.97 56.07 3hgz s GLU 676 Cb 0.12 -1.85 -0.08 0.00 -1.78 0.00 0.00 34.13 30.53 3hgz s GLU 676 CO 0.45 -1.76 1.09 1.04 -0.49 0.00 0.00 175.26 175.59 3hgz n GLN 677 N -2.79 1.36 -0.32 1.61 1.13 -1.26 -4.75 117.38 112.35 3hgz n GLN 677 Ca 0.12 0.50 0.16 0.00 -1.94 0.00 0.00 57.00 55.84 3hgz n GLN 677 Cb 0.51 -2.21 0.35 0.00 0.11 0.00 0.00 30.24 28.99 3hgz n GLN 677 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3hgz h PRO 678 N 1.28 0.42 -0.12 -1.09 0.11 -1.90 -0.87 132.00 129.83 3hgz h PRO 678 Ca -0.47 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3hgz h PRO 678 Cb 1.33 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hgz h PRO 678 CO 0.55 0.27 -0.48 1.12 -0.21 0.00 0.00 178.00 179.26 3hgz h HIS 679 N 0.43 0.36 -0.40 0.65 2.07 -1.88 -0.55 115.15 115.84 3hgz h HIS 679 Ca 0.61 -0.11 -0.01 0.00 -2.85 0.00 0.00 60.37 58.00 3hgz h HIS 679 Cb 1.19 -0.07 -0.02 0.00 2.57 0.00 0.00 27.41 31.08 3hgz h HIS 679 CO -0.09 0.72 0.20 1.96 -3.07 0.00 0.00 177.93 177.65 3hgz h GLN 680 N 0.24 0.56 -0.53 5.12 4.20 -1.55 -2.13 115.11 121.03 3hgz h GLN 680 Ca 0.01 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.73 3hgz h GLN 680 Cb 0.93 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.54 3hgz h GLN 680 CO 0.08 0.47 0.14 0.45 -0.67 0.00 0.00 178.83 179.30 3hgz h HIS 681 N 0.50 0.24 -0.12 2.96 3.86 -1.00 -0.67 115.15 120.92 3hgz h HIS 681 Ca 0.14 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3hgz h HIS 681 Cb 0.09 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3hgz h HIS 681 CO -0.02 0.03 -0.01 0.00 0.86 0.00 0.00 177.93 178.80 3hgz h ALA 682 N 1.39 0.10 -0.64 2.45 0.00 -0.63 -1.26 119.26 120.66 3hgz h ALA 682 Ca 0.26 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3hgz h ALA 682 Cb 0.34 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3hgz h ALA 682 CO -0.31 -0.47 0.39 0.52 0.00 0.00 0.00 179.25 179.39 3hgz h MET 683 N 0.03 0.74 0.08 0.00 2.07 -1.14 -1.84 114.93 114.87 3hgz h MET 683 Ca 0.06 -0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.67 3hgz h MET 683 Cb 0.08 -0.17 -0.04 0.00 -1.87 0.00 0.00 31.60 29.59 3hgz h MET 683 CO -0.11 0.49 -0.33 -0.92 1.07 0.00 0.00 176.91 177.11 3hgz h TYR 684 N 0.76 -0.91 -0.90 -0.22 3.20 -0.22 -1.31 116.97 117.38 3hgz h TYR 684 Ca 0.26 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3hgz h TYR 684 Cb 0.04 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 3hgz h TYR 684 CO -0.05 -0.43 0.57 1.88 -1.64 0.00 0.00 178.16 178.48 3hgz h TYR 685 N -0.53 1.06 -0.84 -3.82 0.05 -1.10 -1.32 116.97 110.47 3hgz h TYR 685 Ca 0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3hgz h TYR 685 Cb 0.58 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 3hgz h TYR 685 CO -0.31 0.56 0.48 1.25 -1.05 0.00 0.00 178.16 179.08 3hgz h LEU 686 N 1.06 1.04 -0.36 3.88 5.85 -0.86 0.62 115.31 126.54 3hgz h LEU 686 Ca 0.38 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.04 3hgz h LEU 686 Cb 0.13 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3hgz h LEU 686 CO -0.16 0.82 0.19 -0.09 -0.34 0.00 0.00 178.44 178.87 3hgz h ARG 687 N 1.16 0.38 -0.40 1.25 2.43 -0.45 -1.04 114.38 117.72 3hgz h ARG 687 Ca 0.30 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3hgz h ARG 687 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3hgz h ARG 687 CO -0.05 0.25 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.58 3hgz h LEU 688 N 0.40 0.62 -0.41 3.80 3.38 -0.85 -2.41 115.31 119.84 3hgz h LEU 688 Ca 0.15 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3hgz h LEU 688 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hgz h LEU 688 CO -0.09 0.69 -0.70 -0.07 0.09 0.00 0.00 178.44 178.37 3hgz h LEU 689 N 0.61 0.53 0.00 1.67 3.38 -0.39 -3.36 115.31 117.77 3hgz h LEU 689 Ca 0.13 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3hgz h LEU 689 Cb 0.40 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hgz h LEU 689 CO 0.02 1.08 -1.51 0.23 0.09 0.00 0.00 178.44 178.34 3hgz n MET 690 N -3.87 0.63 -3.12 1.13 2.81 -0.44 -4.84 117.12 109.43 3hgz n MET 690 Ca -0.04 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.47 3hgz n MET 690 Cb 0.69 -1.69 -0.06 0.00 -0.71 0.00 0.00 33.22 31.45 3hgz n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hgz s THR 691 N -3.33 4.55 0.16 2.03 2.01 -0.92 -1.05 115.64 119.10 3hgz s THR 691 Ca -0.04 1.43 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 3hgz s THR 691 Cb 0.11 -3.99 0.03 0.00 0.01 0.00 0.00 72.50 68.66 3hgz s THR 691 CO 0.84 0.48 1.59 -0.08 -0.69 0.00 0.00 174.62 176.76 3hgz h GLU 692 N 4.24 -0.28 -5.39 4.92 4.81 -1.53 -3.41 114.58 117.94 3hgz h GLU 692 Ca -0.48 0.02 -0.58 0.00 -0.13 0.00 0.00 59.36 58.18 3hgz h GLU 692 Cb 1.21 0.06 -0.31 0.00 0.63 0.00 0.00 28.75 30.34 3hgz h GLU 692 CO 0.65 -0.19 -0.84 0.08 -0.73 0.00 0.00 179.01 177.98 3hgz s VAL 693 N -5.94 1.53 -0.30 0.32 1.01 -1.26 -5.04 120.40 110.72 3hgz s VAL 693 Ca -0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3hgz s VAL 693 Cb 0.13 -1.32 0.16 0.00 0.00 0.00 0.00 36.38 35.35 3hgz s VAL 693 CO 0.67 0.44 0.92 0.00 0.00 0.00 0.00 175.10 177.12 3hgz s ALA 694 N 0.03 -2.57 -0.10 5.51 0.00 -1.26 -5.09 121.76 118.29 3hgz s ALA 694 Ca -0.04 2.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.82 3hgz s ALA 694 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3hgz s ALA 694 CO 0.03 -0.95 0.61 -1.58 0.00 0.00 0.00 175.76 173.86 3hgz s TRP 695 N 2.55 3.53 0.69 0.00 0.23 -1.26 -5.02 118.94 119.66 3hgz s TRP 695 Ca -0.03 1.08 -0.12 0.00 -2.03 0.00 0.00 56.10 55.00 3hgz s TRP 695 Cb -0.07 -2.70 0.01 0.00 0.03 0.00 0.00 33.47 30.74 3hgz s TRP 695 CO -0.18 0.10 1.07 0.95 0.96 0.00 0.00 176.95 179.85 3hgz s THR 696 N 0.82 3.75 0.30 2.01 -4.23 -1.26 -4.85 115.64 112.19 3hgz s THR 696 Ca 0.32 0.63 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3hgz s THR 696 Cb -0.16 -3.25 0.29 0.00 1.34 0.00 0.00 72.50 70.71 3hgz s THR 696 CO 0.14 -0.68 1.88 0.11 -0.54 0.00 0.00 174.62 175.53 3hgz h LYS 697 N -0.57 0.96 -0.69 3.99 1.79 -1.97 -0.12 116.57 119.97 3hgz h LYS 697 Ca -0.44 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 57.95 3hgz h LYS 697 Cb 1.22 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 3hgz h LYS 697 CO 0.55 0.63 0.35 -0.44 -1.08 0.00 0.00 179.45 179.47 3hgz h ASP 698 N 0.99 0.89 -0.46 0.86 3.32 -1.94 0.12 116.42 120.20 3hgz h ASP 698 Ca 0.43 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 3hgz h ASP 698 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3hgz h ASP 698 CO -0.19 0.76 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.69 3hgz h GLU 699 N 0.96 0.92 -0.35 3.56 5.08 -1.66 -1.54 114.58 121.54 3hgz h GLU 699 Ca 0.24 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3hgz h GLU 699 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hgz h GLU 699 CO -0.03 0.95 0.01 -0.07 -1.00 0.00 0.00 179.01 178.86 3hgz h LEU 700 N 0.83 0.60 -0.21 1.33 3.38 -0.70 -0.81 115.31 119.73 3hgz h LEU 700 Ca 0.14 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.60 3hgz h LEU 700 Cb 0.59 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hgz h LEU 700 CO 0.04 0.76 -0.68 0.07 0.09 0.00 0.00 178.44 178.72 3hgz h LYS 701 N 0.43 0.83 -0.20 1.13 2.10 -0.90 -1.15 116.57 118.81 3hgz h LYS 701 Ca 0.10 -0.61 0.05 0.00 -2.00 0.00 0.00 60.65 58.19 3hgz h LYS 701 Cb 0.44 0.11 -0.06 0.00 -0.90 0.00 0.00 32.23 31.83 3hgz h LYS 701 CO 0.02 1.23 -0.15 1.49 -2.00 0.00 0.00 179.45 180.03 3hgz h GLU 702 N 0.58 -0.15 0.00 0.07 4.81 -1.31 -2.28 114.58 116.30 3hgz h GLU 702 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hgz h GLU 702 Cb 1.30 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3hgz h GLU 702 CO 0.14 -0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.32 3hgz h ALA 703 N 0.96 1.00 0.00 2.92 0.00 -0.96 -3.22 119.26 119.96 3hgz h ALA 703 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hgz h ALA 703 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hgz h ALA 703 CO -0.30 0.00 0.00 1.25 0.00 0.00 0.00 179.25 180.20 3hgz h LEU 704 N 0.00 0.00 -0.70 0.00 5.85 -0.59 -2.84 115.31 117.03 3hgz h LEU 704 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3hgz h LEU 704 Cb 0.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hgz h LEU 704 CO 0.00 0.00 -0.35 0.44 -0.34 0.00 0.00 178.44 178.19 3hgz h ASP 705 N 0.00 0.00 0.19 1.25 5.19 -1.68 -3.09 116.42 118.28 3hgz h ASP 705 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hgz h ASP 705 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3hgz h ASP 705 CO 0.00 0.35 -0.00 0.47 -3.12 0.00 0.00 179.24 176.94 3hgz n ASP 706 N -3.38 0.06 -4.48 6.45 8.00 -1.07 -4.74 116.55 117.39 3hgz n ASP 706 Ca 0.01 -0.73 -0.43 0.00 0.71 0.00 0.00 54.79 54.35 3hgz n ASP 706 Cb 0.55 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 3hgz n ASP 706 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hgz s VAL 707 N -2.20 4.34 0.39 2.53 1.01 -1.17 -4.96 120.40 120.34 3hgz s VAL 707 Ca 0.41 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.36 3hgz s VAL 707 Cb 0.21 -4.63 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3hgz s VAL 707 CO 0.40 -1.33 0.38 0.42 0.00 0.00 0.00 175.10 174.97 3hgz s THR 708 N 4.04 2.97 0.10 3.92 -4.23 -1.26 -4.99 115.64 116.19 3hgz s THR 708 Ca 0.25 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.15 3hgz s THR 708 Cb -0.15 -3.06 -0.12 0.00 1.34 0.00 0.00 72.50 70.50 3hgz s THR 708 CO 0.14 -0.05 1.62 0.25 -0.54 0.00 0.00 174.62 176.03 3hgz h LEU 709 N 1.04 -0.91 -0.78 4.79 5.85 -2.00 -1.93 115.31 121.38 3hgz h LEU 709 Ca -0.42 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.50 3hgz h LEU 709 Cb 1.26 0.31 -0.13 0.00 0.37 0.00 0.00 40.66 42.48 3hgz h LEU 709 CO 0.56 -0.46 -0.41 -0.65 -0.34 0.00 0.00 178.44 177.13 3hgz h PRO 710 N -0.68 -0.10 -0.99 5.25 0.11 -2.00 -1.81 132.00 131.78 3hgz h PRO 710 Ca -0.01 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.19 3hgz h PRO 710 Cb 0.63 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 3hgz h PRO 710 CO -0.08 -0.07 0.64 0.00 -0.21 0.00 0.00 178.00 178.28 3hgz h ARG 711 N -0.11 1.06 -0.00 1.05 -0.00 -1.88 -2.43 114.38 112.06 3hgz h ARG 711 Ca 0.25 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.66 3hgz h ARG 711 Cb 0.56 -0.24 -0.00 0.00 0.00 0.00 0.00 29.97 30.29 3hgz h ARG 711 CO -0.82 0.70 -0.00 1.25 0.00 0.00 0.00 179.97 181.09 3hgz h LEU 712 N 1.09 0.01 -0.96 3.04 6.46 -0.70 -2.45 115.31 121.80 3hgz h LEU 712 Ca 0.45 -0.45 0.22 0.00 -0.12 0.00 0.00 57.88 57.98 3hgz h LEU 712 Cb 0.30 -0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.10 3hgz h LEU 712 CO -0.20 0.46 0.52 0.11 -0.62 0.00 0.00 178.44 178.71 3hgz h LYS 713 N -0.44 0.54 -0.27 1.25 1.57 -1.11 -0.15 116.57 117.96 3hgz h LYS 713 Ca 0.00 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3hgz h LYS 713 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3hgz h LYS 713 CO 0.00 0.35 -0.32 0.00 -0.57 0.00 0.00 179.45 178.92 3hgz h ALA 714 N 1.70 0.94 -0.29 3.86 0.00 -1.39 -3.31 119.26 120.77 3hgz h ALA 714 Ca 0.59 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3hgz h ALA 714 Cb 1.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hgz h ALA 714 CO -0.47 0.61 -0.10 0.35 0.00 0.00 0.00 179.25 179.65 3hgz h PHE 715 N 0.50 0.65 0.30 0.00 3.57 -0.54 -3.08 116.94 118.33 3hgz h PHE 715 Ca 0.06 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3hgz h PHE 715 Cb 0.79 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 3hgz h PHE 715 CO 0.03 0.79 -0.51 0.82 -2.23 0.00 0.00 178.31 177.21 3hgz h ILE 716 N 0.33 0.03 -0.63 1.41 2.04 -1.48 0.31 117.51 119.52 3hgz h ILE 716 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3hgz h ILE 716 Cb 0.59 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3hgz h ILE 716 CO 0.03 0.00 0.41 1.55 0.00 0.00 0.00 178.15 180.15 3hgz h PRO 717 N -0.86 0.61 0.69 2.37 0.13 -1.73 0.20 132.00 133.41 3hgz h PRO 717 Ca -0.03 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 3hgz h PRO 717 Cb 0.81 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3hgz h PRO 717 CO -0.18 0.40 -0.38 0.37 -0.23 0.00 0.00 178.00 177.98 3hgz h GLN 718 N 0.63 -0.96 -0.88 0.86 5.75 -1.25 -1.74 115.11 117.52 3hgz h GLN 718 Ca 0.27 0.07 0.15 0.00 -0.15 0.00 0.00 58.65 58.99 3hgz h GLN 718 Cb 0.26 0.22 -0.10 0.00 1.07 0.00 0.00 27.48 28.93 3hgz h GLN 718 CO -0.08 -0.64 0.47 1.25 -2.65 0.00 0.00 178.83 177.19 3hgz h LEU 719 N -0.99 0.59 -0.09 -2.39 6.46 0.23 -2.37 115.31 116.75 3hgz h LEU 719 Ca -0.09 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3hgz h LEU 719 Cb 0.79 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 3hgz h LEU 719 CO 0.12 0.24 -0.12 0.18 -0.62 0.00 0.00 178.44 178.24 3hgz n LEU 720 N -4.85 0.25 0.10 2.25 4.77 0.00 -4.12 117.00 115.41 3hgz n LEU 720 Ca 0.18 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 3hgz n LEU 720 Cb 0.46 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3hgz n LEU 720 CO 0.21 0.05 0.25 0.77 -1.33 0.00 0.00 177.39 177.35 3hgz h SER 721 N 0.21 0.00 -3.31 -1.43 4.64 -0.75 -3.38 113.55 109.53 3hgz h SER 721 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 3hgz h SER 721 Cb 0.41 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.12 3hgz h SER 721 CO 0.00 0.68 -0.76 -0.13 -0.87 0.00 0.00 176.83 175.75 3hgz s ARG 722 N -2.87 0.39 0.05 4.77 0.52 -1.26 -0.34 118.95 120.22 3hgz s ARG 722 Ca 0.02 0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 3hgz s ARG 722 Cb 0.08 -0.78 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 3hgz s ARG 722 CO 0.78 -0.28 -0.03 -0.51 0.02 0.00 0.00 175.30 175.28 3hgz s LEU 723 N 1.84 2.45 0.05 2.53 1.43 -0.95 -4.64 118.68 121.38 3hgz s LEU 723 Ca 0.02 -0.93 0.08 0.00 -1.03 0.00 0.00 54.13 52.27 3hgz s LEU 723 Cb -0.12 0.19 -0.03 0.00 0.03 0.00 0.00 46.19 46.26 3hgz s LEU 723 CO -0.04 -0.56 -0.22 -2.28 0.23 0.00 0.00 176.35 173.48 3hgz s HIS 724 N -3.58 1.97 -0.11 0.29 5.65 -1.11 -2.75 115.29 115.64 3hgz s HIS 724 Ca 0.04 -0.39 0.03 0.00 0.25 0.00 0.00 55.06 54.99 3hgz s HIS 724 Cb 0.05 -1.17 0.01 0.00 -1.18 0.00 0.00 32.58 30.29 3hgz s HIS 724 CO -0.09 0.11 -0.19 0.42 -0.65 0.00 0.00 174.74 174.34 3hgz s ILE 725 N -0.81 1.77 -0.08 0.89 1.01 -0.08 -0.48 121.20 123.42 3hgz s ILE 725 Ca 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3hgz s ILE 725 Cb -0.09 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3hgz s ILE 725 CO 0.02 0.49 -0.23 -0.70 0.00 0.00 0.00 174.94 174.53 3hgz s GLU 726 N 0.71 2.84 0.03 2.79 2.12 -0.17 -0.32 118.70 126.69 3hgz s GLU 726 Ca -0.11 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.38 3hgz s GLU 726 Cb -0.16 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.93 3hgz s GLU 726 CO 0.02 0.30 -0.06 0.00 -0.54 0.00 0.00 175.26 174.98 3hgz s ALA 727 N 0.06 0.43 -0.22 6.30 0.00 -0.78 0.32 121.76 127.87 3hgz s ALA 727 Ca -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3hgz s ALA 727 Cb -0.15 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3hgz s ALA 727 CO 0.06 -0.01 -0.10 -1.17 0.00 0.00 0.00 175.76 174.53 3hgz s LEU 728 N -1.14 2.83 -0.20 0.00 0.20 0.04 -0.41 118.68 120.01 3hgz s LEU 728 Ca -0.08 -0.73 -0.03 0.00 0.69 0.00 0.00 54.13 53.98 3hgz s LEU 728 Cb -0.08 -1.62 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 3hgz s LEU 728 CO 0.00 -0.07 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.16 3hgz s LEU 729 N 1.34 2.85 -0.21 -0.68 1.43 0.18 -0.71 118.68 122.88 3hgz s LEU 729 Ca 0.02 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3hgz s LEU 729 Cb -0.15 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.46 3hgz s LEU 729 CO -0.07 0.03 0.44 -2.28 0.23 0.00 0.00 176.35 174.71 3hgz s HIS 730 N 1.15 -0.84 -3.09 0.29 2.46 -0.47 -1.92 115.29 112.88 3hgz s HIS 730 Ca 0.02 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.14 3hgz s HIS 730 Cb -0.14 0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 3hgz s HIS 730 CO -0.02 -0.49 0.00 0.41 -2.47 0.00 0.00 174.74 172.17 3hgz n GLY 731 N 5.35 0.17 2.45 1.59 0.00 -1.08 -0.42 105.19 113.25 3hgz n GLY 731 Ca -0.09 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 3hgz n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hgz n ASN 732 N 0.00 7.45 -3.92 1.61 5.15 0.12 -0.83 115.26 124.85 3hgz n ASN 732 Ca 0.00 -2.74 -0.09 0.00 -0.60 0.00 0.00 54.58 51.15 3hgz n ASN 732 Cb 0.00 -1.55 -0.09 0.00 -0.53 0.00 0.00 39.78 37.61 3hgz n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hgz s ILE 733 N 1.81 0.13 0.42 -1.44 -0.00 -1.26 -4.84 121.20 116.02 3hgz s ILE 733 Ca 0.61 -1.09 0.02 0.00 -0.00 0.00 0.00 60.65 60.19 3hgz s ILE 733 Cb 0.17 -0.93 -0.01 0.00 -0.00 0.00 0.00 42.46 41.69 3hgz s ILE 733 CO -0.07 -0.60 0.62 0.42 -0.00 0.00 0.00 174.94 175.31 3hgz s THR 734 N -2.68 4.11 0.25 8.37 -4.23 -1.26 -4.53 115.64 115.67 3hgz s THR 734 Ca -0.04 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 3hgz s THR 734 Cb -0.01 -3.50 0.24 0.00 1.34 0.00 0.00 72.50 70.58 3hgz s THR 734 CO -0.05 -0.32 1.69 0.50 -0.54 0.00 0.00 174.62 175.90 3hgz h LYS 735 N 0.53 0.29 -0.34 3.99 3.64 -1.99 0.43 116.57 123.11 3hgz h LYS 735 Ca -0.46 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3hgz h LYS 735 Cb 1.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3hgz h LYS 735 CO 0.57 0.19 0.20 1.96 -2.27 0.00 0.00 179.45 180.10 3hgz h GLN 736 N 0.30 0.39 -0.67 1.90 1.08 -1.99 -1.00 115.11 115.12 3hgz h GLN 736 Ca 0.44 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.55 3hgz h GLN 736 Cb 0.77 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3hgz h GLN 736 CO -0.51 0.26 0.16 0.00 -0.95 0.00 0.00 178.83 177.78 3hgz h ALA 737 N 1.15 0.88 0.44 3.87 0.00 -1.68 -1.30 119.26 122.61 3hgz h ALA 737 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hgz h ALA 737 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hgz h ALA 737 CO -0.06 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 179.58 3hgz h ALA 738 N 1.07 -0.58 -0.94 0.00 0.00 -0.57 0.12 119.26 118.36 3hgz h ALA 738 Ca 0.21 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.12 3hgz h ALA 738 Cb 0.37 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3hgz h ALA 738 CO 0.00 -0.75 0.60 -0.07 0.00 0.00 0.00 179.25 179.03 3hgz h LEU 739 N -0.75 0.66 -0.22 0.00 3.38 -1.08 0.49 115.31 117.80 3hgz h LEU 739 Ca -0.06 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3hgz h LEU 739 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hgz h LEU 739 CO 0.10 0.29 -0.45 1.23 0.09 0.00 0.00 178.44 179.70 3hgz h GLY 740 N 0.67 0.75 0.93 0.83 0.00 -0.78 -0.64 103.07 104.83 3hgz h GLY 740 Ca 0.50 -0.89 0.01 0.00 0.00 0.00 0.00 47.33 46.94 3hgz h GLY 740 CO -0.25 0.80 0.06 -2.22 0.00 0.00 0.00 176.54 174.93 3hgz h ILE 741 N 0.39 0.99 -0.47 2.60 2.04 0.28 0.39 117.51 123.73 3hgz h ILE 741 Ca 0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hgz h ILE 741 Cb 1.05 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3hgz h ILE 741 CO 0.10 0.02 0.30 -0.03 0.00 0.00 0.00 178.15 178.54 3hgz h MET 742 N 0.13 0.63 -0.28 2.37 4.05 -0.91 -1.70 114.93 119.22 3hgz h MET 742 Ca 0.05 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.30 3hgz h MET 742 Cb 0.02 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 3hgz h MET 742 CO -0.04 0.44 -0.37 0.37 0.23 0.00 0.00 176.91 177.54 3hgz h GLN 743 N 0.63 0.63 -0.96 0.39 5.75 -0.76 -1.93 115.11 118.86 3hgz h GLN 743 Ca 0.17 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3hgz h GLN 743 Cb -0.05 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 3hgz h GLN 743 CO -0.03 0.90 0.62 1.98 -2.65 0.00 0.00 178.83 179.64 3hgz h MET 744 N 0.52 1.29 0.93 1.69 4.05 0.15 0.14 114.93 123.70 3hgz h MET 744 Ca 0.05 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3hgz h MET 744 Cb 0.87 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 3hgz h MET 744 CO 0.08 0.87 -0.49 0.28 0.23 0.00 0.00 176.91 177.87 3hgz h VAL 745 N 1.32 0.00 -0.25 -5.77 2.07 -0.73 -1.45 116.25 111.43 3hgz h VAL 745 Ca 0.35 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.92 3hgz h VAL 745 Cb -0.11 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.58 3hgz h VAL 745 CO -0.07 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.71 3hgz h GLU 746 N -1.31 -0.45 -0.98 1.57 5.08 -1.13 -1.67 114.58 115.69 3hgz h GLU 746 Ca -0.13 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.49 3hgz h GLU 746 Cb 1.02 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 3hgz h GLU 746 CO 0.18 -0.30 0.56 -0.44 -1.00 0.00 0.00 179.01 178.01 3hgz h ASP 747 N -0.46 0.64 -0.26 1.42 3.45 -0.74 -0.74 116.42 119.72 3hgz h ASP 747 Ca 0.08 0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.59 3hgz h ASP 747 Cb 0.63 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 3hgz h ASP 747 CO -0.49 0.13 -0.09 0.74 -1.57 0.00 0.00 179.24 177.97 3hgz h THR 748 N 0.60 1.24 0.21 0.35 2.02 -0.33 -0.61 112.91 116.39 3hgz h THR 748 Ca 0.61 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3hgz h THR 748 Cb 1.10 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3hgz h THR 748 CO -0.46 0.36 -0.10 -0.07 0.37 0.00 0.00 175.52 175.62 3hgz h LEU 749 N 0.60 -0.24 -0.38 2.58 3.38 -0.74 -2.60 115.31 117.91 3hgz h LEU 749 Ca 0.11 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hgz h LEU 749 Cb 0.51 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3hgz h LEU 749 CO 0.03 0.25 -0.28 0.40 0.09 0.00 0.00 178.44 178.92 3hgz h ILE 750 N -0.82 0.00 -0.85 1.22 1.08 -1.28 0.44 117.51 117.30 3hgz h ILE 750 Ca -0.03 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.69 3hgz h ILE 750 Cb 0.51 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 3hgz h ILE 750 CO 0.05 0.00 0.66 -0.08 -0.69 0.00 0.00 178.15 178.09 3hgz h GLU 751 N -0.07 0.00 0.00 2.37 4.22 -1.15 -1.34 114.58 118.61 3hgz h GLU 751 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 3hgz h GLU 751 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hgz h GLU 751 CO -0.40 0.00 -0.51 0.72 -2.18 0.00 0.00 179.01 176.65 3hgz n HIS 752 N -4.12 0.00 -0.47 0.92 8.25 -0.88 -4.75 115.22 114.18 3hgz n HIS 752 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3hgz n HIS 752 Cb 0.96 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.07 3hgz n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hgz n ALA 753 N -1.10 0.92 -2.45 -1.41 0.00 0.15 -4.78 120.51 111.84 3hgz n ALA 753 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 3hgz n ALA 753 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3hgz n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hgz n HIS 754 N -0.09 -1.07 -1.70 0.00 -0.00 -0.51 -4.53 115.22 107.32 3hgz n HIS 754 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 57.72 57.34 3hgz n HIS 754 Cb 0.12 -4.02 -0.03 0.00 -0.00 0.00 0.00 29.99 26.06 3hgz n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3hgz n THR 755 N -4.06 0.30 -4.58 1.59 -1.04 -1.24 -4.89 114.28 100.37 3hgz n THR 755 Ca -0.24 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.45 3hgz n THR 755 Cb 0.68 -2.11 -0.11 0.00 -1.82 0.00 0.00 70.33 66.97 3hgz n THR 755 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3hgz s LYS 756 N 2.47 1.88 1.18 -2.82 -2.85 0.54 -4.48 119.74 115.65 3hgz s LYS 756 Ca 0.81 -2.03 -0.16 0.00 -1.00 0.00 0.00 55.97 53.59 3hgz s LYS 756 Cb -0.48 -1.60 0.22 0.00 -2.06 0.00 0.00 37.83 33.91 3hgz s LYS 756 CO 0.36 0.01 0.50 -2.30 0.10 0.00 0.00 175.35 174.03 3hgz n PRO 757 N -0.88 -2.35 -4.20 1.78 -0.02 -1.26 -2.25 135.00 125.83 3hgz n PRO 757 Ca -0.05 -0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 60.48 3hgz n PRO 757 Cb 0.66 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 3hgz n PRO 757 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hgz s LEU 758 N -4.30 3.22 0.44 2.45 1.02 -1.11 -4.40 118.68 116.01 3hgz s LEU 758 Ca 0.61 -0.35 -0.23 0.00 0.02 0.00 0.00 54.13 54.19 3hgz s LEU 758 Cb -0.18 -1.95 -0.08 0.00 0.02 0.00 0.00 46.19 44.00 3hgz s LEU 758 CO 0.64 0.15 1.08 -0.76 0.02 0.00 0.00 176.35 177.48 3hgz s LEU 759 N -2.49 4.03 0.26 1.79 2.01 -1.26 -4.91 118.68 118.11 3hgz s LEU 759 Ca 0.24 2.09 -0.02 0.00 0.01 0.00 0.00 54.13 56.46 3hgz s LEU 759 Cb -0.11 -4.29 0.49 0.00 0.01 0.00 0.00 46.19 42.29 3hgz s LEU 759 CO 0.16 -0.69 1.80 -0.65 1.01 0.00 0.00 176.35 177.99 3hgz h PRO 760 N 2.14 0.77 0.00 1.29 0.11 -1.99 -0.69 132.00 133.62 3hgz h PRO 760 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hgz h PRO 760 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hgz h PRO 760 CO 0.61 0.51 -0.04 0.66 -0.21 0.00 0.00 178.00 179.52 3hgz h SER 761 N 0.79 0.00 1.71 -2.05 4.64 -2.06 -1.96 113.55 114.61 3hgz h SER 761 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3hgz h SER 761 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hgz h SER 761 CO -0.29 0.04 0.00 1.56 -0.87 0.00 0.00 176.83 177.27 3hgz h GLN 762 N 0.00 0.00 -4.78 4.77 4.20 -1.49 -3.40 115.11 114.41 3hgz h GLN 762 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3hgz h GLN 762 Cb 0.20 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.02 3hgz h GLN 762 CO 0.01 0.00 1.81 1.28 -0.67 0.00 0.00 178.83 181.26 3hgz n LEU 763 N -2.89 3.25 -4.58 1.46 4.77 -0.74 -4.88 117.00 113.38 3hgz n LEU 763 Ca 0.04 -2.69 -0.43 0.00 -0.03 0.00 0.00 56.01 52.90 3hgz n LEU 763 Cb 0.47 -1.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 3hgz n LEU 763 CO 0.32 -1.06 1.02 0.54 -1.33 0.00 0.00 177.39 176.88 3hgz s VAL 764 N 7.01 4.15 0.04 4.08 0.11 -1.26 -5.05 120.40 129.48 3hgz s VAL 764 Ca 0.63 1.00 -0.19 0.00 -2.93 0.00 0.00 61.98 60.48 3hgz s VAL 764 Cb 0.11 -4.65 -0.06 0.00 -1.53 0.00 0.00 36.38 30.25 3hgz s VAL 764 CO 0.16 -1.16 0.56 -0.13 -3.33 0.00 0.00 175.10 171.20 3hgz s ARG 765 N 4.61 4.21 0.39 1.54 1.81 -1.26 -5.03 118.95 125.22 3hgz s ARG 765 Ca 0.44 0.69 -0.23 0.00 -1.72 0.00 0.00 55.73 54.91 3hgz s ARG 765 Cb -0.08 -3.27 -0.10 0.00 -0.45 0.00 0.00 34.95 31.05 3hgz s ARG 765 CO 0.28 0.56 0.96 0.71 -0.68 0.00 0.00 175.30 177.13 3hgz s TYR 766 N -0.81 3.43 0.20 -0.53 1.51 -1.26 -5.07 117.35 114.82 3hgz s TYR 766 Ca 0.29 1.68 0.04 0.00 -1.01 0.00 0.00 57.07 58.07 3hgz s TYR 766 Cb -0.19 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.71 3hgz s TYR 766 CO 0.18 -0.08 0.28 1.03 -1.11 0.00 0.00 175.55 175.85 3hgz s ARG 767 N -2.69 3.30 -0.05 -0.62 0.52 -1.26 -4.83 118.95 113.32 3hgz s ARG 767 Ca 0.57 -0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 54.83 3hgz s ARG 767 Cb -0.14 -2.84 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 3hgz s ARG 767 CO 0.19 0.47 0.55 -2.00 0.02 0.00 0.00 175.30 174.52 3hgz s GLU 768 N -3.58 4.30 0.21 3.54 2.12 -1.26 -1.26 118.70 122.76 3hgz s GLU 768 Ca 0.34 0.63 -0.31 0.00 0.36 0.00 0.00 54.97 55.99 3hgz s GLU 768 Cb -0.10 -3.37 -0.15 0.00 0.26 0.00 0.00 34.13 30.77 3hgz s GLU 768 CO 0.28 0.31 1.00 0.28 -0.54 0.00 0.00 175.26 176.59 3hgz n VAL 769 N 3.03 1.41 -3.71 3.70 0.31 -0.22 -1.66 118.33 121.20 3hgz n VAL 769 Ca -0.07 -0.35 -0.37 0.00 -0.01 0.00 0.00 64.34 63.54 3hgz n VAL 769 Cb 0.51 -0.73 -0.12 0.00 -0.91 0.00 0.00 33.84 32.60 3hgz n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hgz s GLN 770 N -0.87 3.81 0.18 5.55 0.74 -0.56 -4.77 119.66 123.74 3hgz s GLN 770 Ca 0.67 -0.40 -0.16 0.00 0.05 0.00 0.00 55.36 55.52 3hgz s GLN 770 Cb -0.83 -3.45 -0.08 0.00 1.10 0.00 0.00 33.01 29.76 3hgz s GLN 770 CO 0.56 -0.14 0.62 -0.51 -0.55 0.00 0.00 175.29 175.28 3hgz s LEU 771 N 1.54 4.32 0.06 3.68 1.02 -1.26 -4.14 118.68 123.91 3hgz s LEU 771 Ca 0.06 1.21 -0.27 0.00 0.02 0.00 0.00 54.13 55.15 3hgz s LEU 771 Cb -0.15 -3.43 -0.05 0.00 0.02 0.00 0.00 46.19 42.57 3hgz s LEU 771 CO 0.06 0.06 0.85 -2.16 0.02 0.00 0.00 176.35 175.18 3hgz s PRO 772 N -2.03 4.57 0.08 1.29 0.04 -1.26 -4.93 135.00 132.76 3hgz s PRO 772 Ca 0.41 1.23 -0.34 0.00 0.04 0.00 0.00 61.00 62.33 3hgz s PRO 772 Cb -0.15 -3.38 -0.18 0.00 0.04 0.00 0.00 34.50 30.83 3hgz s PRO 772 CO 0.20 0.23 0.82 -0.25 0.04 0.00 0.00 177.00 178.03 3hgz n ASP 773 N 2.90 -0.51 0.00 6.66 10.43 -1.26 -0.70 116.55 134.07 3hgz n ASP 773 Ca -0.00 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.47 3hgz n ASP 773 Cb 0.50 -0.90 0.00 0.00 1.84 0.00 0.00 41.12 42.55 3hgz n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hgz n ARG 774 N 1.25 -0.69 -1.95 -1.24 1.74 0.14 -4.91 116.66 111.00 3hgz n ARG 774 Ca 0.19 0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 57.13 3hgz n ARG 774 Cb 0.15 -4.27 0.01 0.00 -1.02 0.00 0.00 32.46 27.33 3hgz n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hgz s GLY 775 N -2.00 1.64 -0.26 -0.13 0.00 0.12 -5.00 107.32 101.69 3hgz s GLY 775 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 3hgz s GLY 775 CO 0.00 0.11 0.54 0.86 0.00 0.00 0.00 173.10 174.61 3hgz s TRP 776 N -3.15 -1.15 0.17 1.90 -0.00 -1.26 -2.99 118.94 112.46 3hgz s TRP 776 Ca 0.55 1.84 0.08 0.00 -0.00 0.00 0.00 56.10 58.57 3hgz s TRP 776 Cb -0.11 0.53 -0.04 0.00 -0.00 0.00 0.00 33.47 33.85 3hgz s TRP 776 CO 0.53 -0.64 -0.08 -0.06 -0.00 0.00 0.00 176.95 176.71 3hgz s PHE 777 N 2.76 2.69 -0.04 5.86 0.40 -0.06 -1.21 117.98 128.37 3hgz s PHE 777 Ca 0.01 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 3hgz s PHE 777 Cb -0.13 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.11 3hgz s PHE 777 CO -0.17 0.51 -0.01 0.08 0.70 0.00 0.00 175.22 176.32 3hgz s VAL 778 N -1.67 0.35 -0.17 -0.44 1.01 -0.85 -0.93 120.40 117.69 3hgz s VAL 778 Ca 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 3hgz s VAL 778 Cb -0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 3hgz s VAL 778 CO 0.16 0.20 -0.07 -0.47 0.00 0.00 0.00 175.10 174.92 3hgz s TYR 779 N 1.21 2.93 -0.00 5.22 5.04 -0.13 -0.31 117.35 131.31 3hgz s TYR 779 Ca -0.07 -0.63 0.07 0.00 -2.44 0.00 0.00 57.07 53.99 3hgz s TYR 779 Cb -0.14 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.18 3hgz s TYR 779 CO -0.02 -0.28 -0.21 1.14 -1.34 0.00 0.00 175.55 174.84 3hgz s GLN 780 N 0.76 1.67 0.24 4.97 -2.07 -1.26 -0.74 119.66 123.23 3hgz s GLN 780 Ca -0.03 -0.80 -0.06 0.00 -1.82 0.00 0.00 55.36 52.65 3hgz s GLN 780 Cb -0.15 -1.65 -0.02 0.00 -1.09 0.00 0.00 33.01 30.10 3hgz s GLN 780 CO 0.02 0.45 0.32 -0.65 -1.32 0.00 0.00 175.29 174.10 3hgz s GLN 781 N -0.64 1.43 -0.06 9.60 -1.52 -0.21 -4.98 119.66 123.27 3hgz s GLN 781 Ca 0.08 -1.48 0.05 0.00 -1.95 0.00 0.00 55.36 52.06 3hgz s GLN 781 Cb -0.08 0.38 -0.01 0.00 -0.22 0.00 0.00 33.01 33.07 3hgz s GLN 781 CO -0.00 -0.55 -0.23 0.50 -0.25 0.00 0.00 175.29 174.76 3hgz s ARG 782 N -3.98 2.62 -0.20 2.91 6.06 -1.26 -0.31 118.95 124.79 3hgz s ARG 782 Ca 0.31 -0.87 -0.16 0.00 -2.50 0.00 0.00 55.73 52.52 3hgz s ARG 782 Cb 0.03 -2.22 -0.04 0.00 0.06 0.00 0.00 34.95 32.77 3hgz s ARG 782 CO 0.12 0.39 0.39 1.21 -2.50 0.00 0.00 175.30 174.91 3hgz s ASN 783 N -0.18 6.42 0.00 -2.12 2.47 -0.05 -4.89 114.94 116.60 3hgz s ASN 783 Ca -0.03 0.50 0.24 0.00 0.42 0.00 0.00 52.86 53.99 3hgz s ASN 783 Cb -0.14 -2.23 0.24 0.00 -1.45 0.00 0.00 41.25 37.68 3hgz s ASN 783 CO 0.04 -0.07 1.23 -0.62 -3.72 0.00 0.00 177.10 173.96 3hgz n GLU 784 N 4.45 0.53 -0.11 0.43 1.02 -1.26 -2.43 120.64 123.27 3hgz n GLU 784 Ca -0.09 -0.39 -0.16 0.00 -0.02 0.00 0.00 57.16 56.51 3hgz n GLU 784 Cb 0.51 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 3hgz n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hgz n VAL 785 N -0.89 1.31 -3.69 2.62 0.31 -1.26 -4.86 118.33 111.86 3hgz n VAL 785 Ca 0.08 -0.51 -0.37 0.00 -0.01 0.00 0.00 64.34 63.53 3hgz n VAL 785 Cb 0.37 -1.28 -0.07 0.00 -0.91 0.00 0.00 33.84 31.96 3hgz n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3hgz s HIS 786 N -2.46 3.55 -0.66 3.52 3.76 -1.26 -4.94 115.29 116.81 3hgz s HIS 786 Ca -0.30 0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 55.18 3hgz s HIS 786 Cb 0.08 -2.15 0.23 0.00 1.11 0.00 0.00 32.58 31.84 3hgz s HIS 786 CO 0.54 0.51 2.35 -1.71 -0.85 0.00 0.00 174.74 175.57 3hgz n ASN 787 N 2.65 7.06 -4.17 1.40 5.15 -1.26 -1.03 115.26 125.07 3hgz n ASN 787 Ca -0.16 -3.55 -0.10 0.00 -0.60 0.00 0.00 54.58 50.17 3hgz n ASN 787 Cb 0.53 -1.13 -0.10 0.00 -0.53 0.00 0.00 39.78 38.55 3hgz n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hgz s ASN 788 N -0.47 1.10 0.29 1.20 -0.87 -1.26 -4.83 114.94 110.10 3hgz s ASN 788 Ca 0.55 -1.01 0.07 0.00 -1.57 0.00 0.00 52.86 50.90 3hgz s ASN 788 Cb 0.41 0.10 -0.03 0.00 -0.02 0.00 0.00 41.25 41.72 3hgz s ASN 788 CO -0.31 -0.48 0.27 -0.94 -2.57 0.00 0.00 177.10 173.07 3hgz s SER 789 N -3.04 5.53 0.06 -1.22 1.04 0.11 -3.35 113.70 112.84 3hgz s SER 789 Ca 0.12 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.27 3hgz s SER 789 Cb 0.05 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.89 3hgz s SER 789 CO -0.05 -0.19 -0.11 -0.83 0.98 0.00 0.00 173.24 173.04 3hgz s GLY 790 N -3.94 0.71 -0.09 7.32 0.00 0.66 -0.90 107.32 111.07 3hgz s GLY 790 Ca 0.37 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 44.08 3hgz s GLY 790 CO 0.26 -0.99 0.23 -1.50 0.00 0.00 0.00 173.10 171.10 3hgz s ILE 791 N -1.60 -0.02 -0.10 0.90 2.07 -0.28 -0.07 121.20 122.12 3hgz s ILE 791 Ca -0.04 0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.30 3hgz s ILE 791 Cb -0.08 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3hgz s ILE 791 CO 0.01 0.03 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.14 3hgz s GLU 792 N 0.58 2.87 -0.19 3.50 2.12 -0.72 -2.27 118.70 124.59 3hgz s GLU 792 Ca -0.04 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 3hgz s GLU 792 Cb -0.05 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.15 3hgz s GLU 792 CO -0.03 0.15 -0.12 0.42 -0.54 0.00 0.00 175.26 175.14 3hgz s ILE 793 N 0.40 2.82 -0.19 -3.70 1.01 -0.68 -0.52 121.20 120.35 3hgz s ILE 793 Ca -0.18 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3hgz s ILE 793 Cb -0.18 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.07 3hgz s ILE 793 CO 0.08 0.48 -0.17 -0.47 0.00 0.00 0.00 174.94 174.86 3hgz s TYR 794 N 1.21 2.82 -0.56 3.97 5.04 0.33 -1.41 117.35 128.75 3hgz s TYR 794 Ca 0.02 -1.52 -0.14 0.00 -2.44 0.00 0.00 57.07 52.99 3hgz s TYR 794 Cb -0.14 -1.96 0.14 0.00 0.35 0.00 0.00 41.96 40.35 3hgz s TYR 794 CO -0.05 -0.76 0.50 0.71 -1.34 0.00 0.00 175.55 174.61 3hgz s TYR 795 N 1.32 3.34 0.28 4.97 1.51 0.01 -1.38 117.35 127.41 3hgz s TYR 795 Ca 0.05 -1.49 -0.29 0.00 -1.01 0.00 0.00 57.07 54.33 3hgz s TYR 795 Cb -0.13 -3.74 -0.10 0.00 -0.11 0.00 0.00 41.96 37.87 3hgz s TYR 795 CO -0.11 -1.01 1.34 -1.14 -1.11 0.00 0.00 175.55 173.52 3hgz s GLN 796 N 1.38 4.34 0.00 -0.62 0.74 0.10 -1.39 119.66 124.20 3hgz s GLN 796 Ca 0.05 2.20 0.00 0.00 0.05 0.00 0.00 55.36 57.66 3hgz s GLN 796 Cb -0.27 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3hgz s GLN 796 CO 0.01 -0.26 0.00 0.25 -0.55 0.00 0.00 175.29 174.74 3hgz n THR 797 N 1.58 0.00 -3.96 -0.34 -2.24 0.19 -4.20 114.28 105.32 3hgz n THR 797 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 3hgz n THR 797 Cb 0.42 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 3hgz n THR 797 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hgz s ASP 798 N -0.23 0.59 0.94 3.42 -1.08 -1.25 -5.00 116.67 114.07 3hgz s ASP 798 Ca 0.00 -1.40 -0.12 0.00 -0.52 0.00 0.00 52.55 50.52 3hgz s ASP 798 Cb 0.00 0.77 0.08 0.00 -1.46 0.00 0.00 42.92 42.32 3hgz s ASP 798 CO 0.00 -1.53 0.69 0.23 0.52 0.00 0.00 175.17 175.09 3hgz n MET 799 N -0.57 -0.40 -2.23 4.34 2.81 -1.26 -2.89 117.12 116.92 3hgz n MET 799 Ca -0.04 -0.06 -0.35 0.00 -1.81 0.00 0.00 57.70 55.44 3hgz n MET 799 Cb 0.61 -2.06 0.01 0.00 -0.71 0.00 0.00 33.22 31.06 3hgz n MET 799 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3hgz s GLN 800 N -4.03 3.32 0.00 0.03 -0.21 0.23 -4.77 119.66 114.23 3hgz s GLN 800 Ca 0.61 1.65 0.00 0.00 0.02 0.00 0.00 55.36 57.64 3hgz s GLN 800 Cb -0.22 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.78 3hgz s GLN 800 CO 0.64 -0.88 0.00 -1.13 -2.12 0.00 0.00 175.29 171.79 3hgz n SER 801 N -1.30 0.00 -0.22 5.90 3.41 -1.26 -4.95 113.62 115.19 3hgz n SER 801 Ca 0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3hgz n SER 801 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 3hgz n SER 801 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hgz n THR 802 N -0.04 -0.36 -0.05 6.66 -1.04 -1.26 -0.38 114.28 117.80 3hgz n THR 802 Ca 0.00 1.38 -0.12 0.00 -2.04 0.00 0.00 64.05 63.27 3hgz n THR 802 Cb 0.00 -1.72 -0.07 0.00 -1.82 0.00 0.00 70.33 66.72 3hgz n THR 802 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3hgz h SER 803 N 0.00 0.30 -0.38 8.00 4.64 -1.98 -2.58 113.55 121.55 3hgz h SER 803 Ca 0.08 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3hgz h SER 803 Cb 0.22 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3hgz h SER 803 CO -0.50 0.63 0.09 -0.33 -0.87 0.00 0.00 176.83 175.86 3hgz h GLU 804 N -0.03 0.69 0.12 4.77 4.39 -1.50 -1.67 114.58 121.35 3hgz h GLU 804 Ca 0.03 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3hgz h GLU 804 Cb 0.51 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3hgz h GLU 804 CO 0.02 0.64 -0.11 -0.91 -1.16 0.00 0.00 179.01 177.48 3hgz h ASN 805 N 0.67 -0.30 -0.37 1.42 -0.26 -0.64 -2.61 115.58 113.49 3hgz h ASN 805 Ca 0.15 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.80 3hgz h ASN 805 Cb 0.27 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3hgz h ASN 805 CO -0.00 -0.18 -0.22 0.24 -1.06 0.00 0.00 177.43 176.22 3hgz h MET 806 N -0.25 0.86 0.00 0.81 2.86 -1.22 0.20 114.93 118.19 3hgz h MET 806 Ca 0.00 -0.35 0.03 0.00 -2.06 0.00 0.00 59.70 57.32 3hgz h MET 806 Cb 0.24 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3hgz h MET 806 CO -0.03 0.99 -0.35 0.74 1.06 0.00 0.00 176.91 179.32 3hgz h PHE 807 N 0.75 -0.98 -0.38 -0.22 0.05 -1.32 0.39 116.94 115.23 3hgz h PHE 807 Ca 0.10 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.92 3hgz h PHE 807 Cb 0.75 0.43 -0.02 0.00 2.00 0.00 0.00 35.95 39.12 3hgz h PHE 807 CO 0.04 -0.44 0.24 1.25 -0.18 0.00 0.00 178.31 179.22 3hgz h LEU 808 N -0.51 0.44 -0.58 1.54 5.85 -1.27 -1.52 115.31 119.25 3hgz h LEU 808 Ca 0.06 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3hgz h LEU 808 Cb 0.60 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3hgz h LEU 808 CO -0.28 0.35 0.25 -0.33 -0.34 0.00 0.00 178.44 178.08 3hgz h GLU 809 N 0.50 0.87 -0.18 1.25 5.08 -0.39 -1.27 114.58 120.44 3hgz h GLU 809 Ca 0.14 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3hgz h GLU 809 Cb -0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3hgz h GLU 809 CO -0.03 0.73 -0.03 1.25 -1.00 0.00 0.00 179.01 179.94 3hgz h LEU 810 N 0.80 0.33 -1.02 1.33 6.46 -0.75 0.03 115.31 122.49 3hgz h LEU 810 Ca 0.20 -0.34 0.09 0.00 -0.12 0.00 0.00 57.88 57.71 3hgz h LEU 810 Cb 0.18 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 39.94 3hgz h LEU 810 CO -0.02 0.60 0.64 0.15 -0.62 0.00 0.00 178.44 179.19 3hgz h PHE 811 N 0.06 1.16 -0.40 1.25 3.04 -1.17 -0.98 116.94 119.90 3hgz h PHE 811 Ca 0.05 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 3hgz h PHE 811 Cb 0.44 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3hgz h PHE 811 CO 0.05 0.53 -0.12 0.00 -2.02 0.00 0.00 178.31 176.74 3hgz h ALA 812 N 1.50 0.55 -0.39 2.41 0.00 -0.71 -1.69 119.26 120.93 3hgz h ALA 812 Ca 0.46 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hgz h ALA 812 Cb 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3hgz h ALA 812 CO -0.22 0.44 0.11 0.37 0.00 0.00 0.00 179.25 179.96 3hgz h GLN 813 N 0.59 0.25 -0.58 0.00 5.75 -0.26 -0.41 115.11 120.45 3hgz h GLN 813 Ca 0.10 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 3hgz h GLN 813 Cb 0.65 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 3hgz h GLN 813 CO 0.04 0.16 0.01 0.82 -2.65 0.00 0.00 178.83 177.22 3hgz h ILE 814 N 0.26 1.26 -0.01 2.39 2.04 -1.00 -3.05 117.51 119.40 3hgz h ILE 814 Ca 0.19 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3hgz h ILE 814 Cb 0.19 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3hgz h ILE 814 CO -0.21 0.40 -0.24 2.30 0.00 0.00 0.00 178.15 180.40 3hgz n ILE 815 N -4.19 0.00 0.23 -0.67 -5.35 -0.65 -4.47 119.36 104.26 3hgz n ILE 815 Ca 0.03 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 3hgz n ILE 815 Cb 0.33 0.47 -0.05 0.00 -1.74 0.00 0.00 39.64 38.66 3hgz n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3hgz h SER 816 N 1.44 -0.65 0.24 7.28 0.87 -0.96 -0.83 113.55 120.95 3hgz h SER 816 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3hgz h SER 816 Cb 0.53 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3hgz h SER 816 CO 0.00 -0.40 -0.11 -0.08 -0.53 0.00 0.00 176.83 175.71 3hgz h GLU 817 N -0.63 -0.31 -1.02 2.24 4.22 -1.79 -3.01 114.58 114.28 3hgz h GLU 817 Ca -0.06 0.02 0.27 0.00 0.08 0.00 0.00 59.36 59.67 3hgz h GLU 817 Cb 0.51 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 3hgz h GLU 817 CO 0.06 -0.03 0.69 -1.35 -2.18 0.00 0.00 179.01 176.19 3hgz h PRO 818 N -0.57 0.23 0.07 0.92 0.11 -1.78 0.22 132.00 131.21 3hgz h PRO 818 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3hgz h PRO 818 Cb 0.42 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3hgz h PRO 818 CO 0.05 0.16 -0.03 0.00 -0.21 0.00 0.00 178.00 177.96 3hgz h ALA 819 N 1.56 -0.10 0.22 -0.75 0.00 -1.06 0.37 119.26 119.50 3hgz h ALA 819 Ca 0.53 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3hgz h ALA 819 Cb 1.64 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 3hgz h ALA 819 CO -0.16 -0.40 -0.32 0.35 0.00 0.00 0.00 179.25 178.72 3hgz h PHE 820 N -0.41 -0.88 -0.89 0.00 3.57 -1.13 0.84 116.94 118.04 3hgz h PHE 820 Ca -0.01 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3hgz h PHE 820 Cb 0.35 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 3hgz h PHE 820 CO 0.03 -0.44 0.55 -0.97 -2.23 0.00 0.00 178.31 175.25 3hgz h ASN 821 N -0.61 0.86 0.18 0.41 -0.73 -0.53 0.21 115.58 115.37 3hgz h ASN 821 Ca 0.01 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 3hgz h ASN 821 Cb 0.59 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.03 3hgz h ASN 821 CO -0.13 0.53 -0.08 0.74 -0.37 0.00 0.00 177.43 178.12 3hgz h THR 822 N 0.98 0.27 -0.08 -3.57 2.02 -0.11 0.45 112.91 112.87 3hgz h THR 822 Ca 0.40 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 3hgz h THR 822 Cb 0.23 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hgz h THR 822 CO -0.19 0.08 -0.32 -0.07 0.37 0.00 0.00 175.52 175.39 3hgz h LEU 823 N -1.03 0.15 0.00 2.58 -0.00 -0.85 0.10 115.31 116.26 3hgz h LEU 823 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3hgz h LEU 823 Cb 0.31 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3hgz h LEU 823 CO 0.04 0.47 -0.09 -1.14 -0.00 0.00 0.00 178.44 177.71 3hgz n ARG 824 N -4.12 0.05 -0.09 1.13 0.63 0.04 -0.96 116.66 113.34 3hgz n ARG 824 Ca -0.01 0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.88 3hgz n ARG 824 Cb 0.39 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.81 3hgz n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3hgz h THR 825 N -0.09 0.72 0.00 5.15 2.02 -1.25 1.03 112.91 120.49 3hgz h THR 825 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3hgz h THR 825 Cb 0.09 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3hgz h THR 825 CO 0.00 0.01 -0.01 0.11 0.37 0.00 0.00 175.52 176.00 3hgz h LYS 826 N 0.05 0.00 0.00 6.66 1.57 -0.93 -3.39 116.57 120.53 3hgz h LYS 826 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hgz h LYS 826 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3hgz h LYS 826 CO -0.30 0.08 -0.23 0.39 -0.57 0.00 0.00 179.45 178.83 3hgz n GLU 827 N -4.76 0.11 -4.02 3.15 1.02 0.36 -4.94 120.64 111.55 3hgz n GLU 827 Ca -0.01 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 3hgz n GLU 827 Cb 0.05 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 3hgz n GLU 827 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hgz n GLN 828 N -1.78 -2.06 0.11 3.49 1.13 0.36 -4.87 117.38 113.76 3hgz n GLN 828 Ca 0.06 0.29 -0.03 0.00 -1.94 0.00 0.00 57.00 55.38 3hgz n GLN 828 Cb 0.38 -4.00 0.12 0.00 0.11 0.00 0.00 30.24 26.85 3hgz n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hgz h LEU 829 N -1.93 0.10 0.00 1.08 3.38 -1.23 -3.48 115.31 113.23 3hgz h LEU 829 Ca -0.65 -0.06 0.32 0.00 0.09 0.00 0.00 57.88 57.57 3hgz h LEU 829 Cb 1.38 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 3hgz h LEU 829 CO 0.61 0.73 0.82 0.61 0.09 0.00 0.00 178.44 181.30 3hgz n GLY 830 N 0.38 0.23 0.08 0.83 0.00 -1.26 -4.11 105.19 101.35 3hgz n GLY 830 Ca -0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 3hgz n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hgz h TYR 831 N 1.87 -0.04 -3.50 1.61 3.20 -1.81 -3.43 116.97 114.87 3hgz h TYR 831 Ca -0.18 -0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.12 3hgz h TYR 831 Cb 1.03 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 3hgz h TYR 831 CO 0.00 0.61 0.97 0.42 -1.64 0.00 0.00 178.16 178.52 3hgz s ILE 832 N -2.53 4.12 -0.16 1.81 -1.09 -1.26 -4.98 121.20 117.11 3hgz s ILE 832 Ca -0.14 1.16 -0.05 0.00 -2.23 0.00 0.00 60.65 59.40 3hgz s ILE 832 Cb -0.01 -4.42 0.06 0.00 -1.58 0.00 0.00 42.46 36.50 3hgz s ILE 832 CO 0.52 -0.85 0.09 -0.69 -1.23 0.00 0.00 174.94 172.78 3hgz s VAL 833 N 4.72 -0.09 0.03 2.92 1.01 -1.26 -2.28 120.40 125.45 3hgz s VAL 833 Ca 0.53 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3hgz s VAL 833 Cb -0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3hgz s VAL 833 CO 0.30 -0.25 -0.13 0.12 0.00 0.00 0.00 175.10 175.15 3hgz s PHE 834 N 2.14 1.12 0.19 5.22 5.36 0.79 -4.82 117.98 127.98 3hgz s PHE 834 Ca 0.02 -0.34 -0.05 0.00 -0.96 0.00 0.00 56.93 55.61 3hgz s PHE 834 Cb -0.16 -0.67 -0.03 0.00 -0.34 0.00 0.00 43.02 41.82 3hgz s PHE 834 CO -0.09 0.02 0.21 -1.54 -1.46 0.00 0.00 175.22 172.36 3hgz s SER 835 N -1.03 0.11 0.00 6.13 1.04 -1.26 -0.57 113.70 118.12 3hgz s SER 835 Ca 0.01 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3hgz s SER 835 Cb -0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3hgz s SER 835 CO 0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3hgz n GLY 836 N -0.25 1.89 3.74 7.32 0.00 -1.11 -4.99 105.19 111.80 3hgz n GLY 836 Ca -0.02 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3hgz n GLY 836 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hgz s PRO 837 N -1.63 2.98 -0.13 1.61 0.04 -1.26 -1.91 135.00 134.69 3hgz s PRO 837 Ca 0.00 2.22 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 3hgz s PRO 837 Cb 0.00 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3hgz s PRO 837 CO 0.00 -1.31 -0.13 0.50 0.04 0.00 0.00 177.00 176.11 3hgz s ARG 838 N -3.02 3.39 -0.08 4.56 3.52 0.20 -4.80 118.95 122.72 3hgz s ARG 838 Ca 0.74 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 55.69 3hgz s ARG 838 Cb -0.40 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3hgz s ARG 838 CO 0.47 0.21 -0.15 1.03 -0.81 0.00 0.00 175.30 176.04 3hgz s ARG 839 N 0.37 2.07 -0.26 5.12 3.00 -1.26 -1.28 118.95 126.71 3hgz s ARG 839 Ca -0.10 -0.54 -0.25 0.00 0.00 0.00 0.00 55.73 54.84 3hgz s ARG 839 Cb -0.16 -1.67 0.09 0.00 0.00 0.00 0.00 34.95 33.22 3hgz s ARG 839 CO 0.05 0.05 0.84 0.00 0.00 0.00 0.00 175.30 176.25 3hgz s ALA 840 N 0.63 -1.85 -1.17 2.13 0.00 -0.75 -4.96 121.76 115.78 3hgz s ALA 840 Ca -0.15 1.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 3hgz s ALA 840 Cb -0.16 -1.20 0.10 0.00 0.00 0.00 0.00 23.12 21.85 3hgz s ALA 840 CO 0.04 -0.30 0.41 0.09 0.00 0.00 0.00 175.76 176.01 3hgz n ASN 841 N 2.37 -2.69 0.00 0.00 3.02 -1.26 -0.21 115.26 116.49 3hgz n ASN 841 Ca -0.14 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3hgz n ASN 841 Cb 0.55 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 3hgz n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgz n GLY 842 N -1.01 1.62 3.95 7.41 0.00 -1.26 -4.52 105.19 111.38 3hgz n GLY 842 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3hgz n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgz s ILE 843 N -3.62 2.71 0.25 -0.61 -1.09 0.71 -0.60 121.20 118.96 3hgz s ILE 843 Ca 0.00 -1.18 -0.20 0.00 -2.23 0.00 0.00 60.65 57.05 3hgz s ILE 843 Cb 0.00 -2.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.02 3hgz s ILE 843 CO 0.00 0.00 0.65 0.00 -1.23 0.00 0.00 174.94 174.36 3hgz s GLN 844 N -4.28 1.65 0.00 2.79 -2.07 -1.14 -1.82 119.66 114.80 3hgz s GLN 844 Ca 0.52 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 3hgz s GLN 844 Cb -0.06 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 3hgz s GLN 844 CO 0.31 -0.74 0.00 0.41 -1.32 0.00 0.00 175.29 173.95 3hgz n GLY 845 N -0.43 -1.24 3.79 2.60 0.00 -0.40 -0.64 105.19 108.86 3hgz n GLY 845 Ca -0.06 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 3hgz n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hgz s LEU 846 N 0.00 3.89 0.04 0.99 0.20 -0.49 0.61 118.68 123.92 3hgz s LEU 846 Ca 0.00 0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 3hgz s LEU 846 Cb 0.00 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 3hgz s LEU 846 CO 0.00 0.24 -0.02 0.00 -0.29 0.00 0.00 176.35 176.28 3hgz s ARG 847 N -1.96 0.50 -0.02 1.98 1.70 -0.80 -0.81 118.95 119.54 3hgz s ARG 847 Ca 0.25 -0.94 0.05 0.00 -0.47 0.00 0.00 55.73 54.62 3hgz s ARG 847 Cb -0.12 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3hgz s ARG 847 CO 0.17 -0.09 -0.17 -0.06 -1.08 0.00 0.00 175.30 174.06 3hgz s PHE 848 N -2.87 1.61 -0.07 5.89 0.40 -0.50 -2.75 117.98 119.68 3hgz s PHE 848 Ca -0.03 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 3hgz s PHE 848 Cb 0.00 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.49 3hgz s PHE 848 CO -0.06 -0.08 -0.11 0.42 0.70 0.00 0.00 175.22 176.09 3hgz s ILE 849 N -0.24 1.08 -0.02 0.64 1.01 0.27 -1.68 121.20 122.26 3hgz s ILE 849 Ca 0.03 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.27 3hgz s ILE 849 Cb -0.08 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3hgz s ILE 849 CO 0.00 0.35 -0.04 -0.63 0.00 0.00 0.00 174.94 174.62 3hgz s ILE 850 N 0.86 0.42 -0.14 2.92 1.01 -0.96 -0.15 121.20 125.17 3hgz s ILE 850 Ca -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 3hgz s ILE 850 Cb -0.15 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 3hgz s ILE 850 CO 0.01 0.15 -0.12 -1.58 0.00 0.00 0.00 174.94 173.41 3hgz s GLN 851 N 0.32 3.41 0.16 2.79 0.74 -0.97 -1.12 119.66 124.99 3hgz s GLN 851 Ca -0.04 -0.67 -0.14 0.00 0.05 0.00 0.00 55.36 54.57 3hgz s GLN 851 Cb -0.07 -2.69 0.02 0.00 1.10 0.00 0.00 33.01 31.36 3hgz s GLN 851 CO -0.00 0.18 0.39 0.45 -0.55 0.00 0.00 175.29 175.75 3hgz s SER 852 N 0.46 -0.12 0.01 6.67 0.15 -0.08 -4.09 113.70 116.69 3hgz s SER 852 Ca -0.09 -0.58 -0.05 0.00 0.70 0.00 0.00 55.95 55.93 3hgz s SER 852 Cb -0.16 0.49 -0.29 0.00 -1.71 0.00 0.00 66.02 64.36 3hgz s SER 852 CO 0.04 -0.93 0.89 -0.08 1.20 0.00 0.00 173.24 174.37 3hgz h GLU 853 N 2.39 0.28 -7.22 5.44 4.81 -1.86 0.33 114.58 118.76 3hgz h GLU 853 Ca -0.31 -0.49 -0.53 0.00 -0.13 0.00 0.00 59.36 57.90 3hgz h GLU 853 Cb 1.24 0.18 0.19 0.00 0.63 0.00 0.00 28.75 30.99 3hgz h GLU 853 CO 0.45 1.17 0.32 0.15 -0.73 0.00 0.00 179.01 180.37 3hgz s LYS 854 N -2.62 1.51 0.55 1.92 -0.14 -1.26 -4.68 119.74 115.02 3hgz s LYS 854 Ca -0.09 1.74 -0.17 0.00 -1.36 0.00 0.00 55.97 56.09 3hgz s LYS 854 Cb 0.07 -1.76 -0.06 0.00 -1.68 0.00 0.00 37.83 34.40 3hgz s LYS 854 CO 0.86 -2.31 1.04 -1.25 -0.76 0.00 0.00 175.35 172.94 3hgz s PRO 855 N -4.22 3.56 0.28 -1.68 0.04 -1.26 -4.64 135.00 127.08 3hgz s PRO 855 Ca 0.72 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 3hgz s PRO 855 Cb -0.28 -2.07 0.46 0.00 0.04 0.00 0.00 34.50 32.65 3hgz s PRO 855 CO 0.52 -0.62 1.89 -1.35 0.04 0.00 0.00 177.00 177.48 3hgz h PRO 856 N 0.80 1.09 -0.80 0.56 0.11 -1.91 -1.03 132.00 130.82 3hgz h PRO 856 Ca -0.47 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.59 3hgz h PRO 856 Cb 1.21 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3hgz h PRO 856 CO 0.59 0.72 0.53 1.12 -0.21 0.00 0.00 178.00 180.74 3hgz h HIS 857 N 1.12 0.99 -0.08 0.65 2.07 -1.93 0.26 115.15 118.22 3hgz h HIS 857 Ca 0.43 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3hgz h HIS 857 Cb 0.21 -0.33 -0.00 0.00 2.57 0.00 0.00 27.41 29.86 3hgz h HIS 857 CO -0.00 0.61 0.04 -0.92 -3.07 0.00 0.00 177.93 174.58 3hgz h TYR 858 N 1.05 0.11 -0.52 6.12 3.20 -1.59 -2.54 116.97 122.80 3hgz h TYR 858 Ca 0.30 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.25 3hgz h TYR 858 Cb -0.07 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 3hgz h TYR 858 CO -0.00 0.20 0.11 -0.07 -1.64 0.00 0.00 178.16 176.76 3hgz h LEU 859 N -0.01 0.01 -0.10 2.82 4.07 -0.71 -2.30 115.31 119.10 3hgz h LEU 859 Ca 0.03 0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.12 3hgz h LEU 859 Cb 0.13 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 3hgz h LEU 859 CO -0.00 0.03 -0.34 -0.08 -1.08 0.00 0.00 178.44 176.97 3hgz h GLU 860 N 0.25 -0.42 -0.79 1.13 4.57 -0.79 -1.40 114.58 117.13 3hgz h GLU 860 Ca 0.26 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.62 3hgz h GLU 860 Cb 0.36 0.09 -0.15 0.00 -0.16 0.00 0.00 28.75 28.90 3hgz h GLU 860 CO -0.34 -0.28 -0.27 1.03 -1.18 0.00 0.00 179.01 177.98 3hgz h SER 861 N -0.43 -0.97 0.02 1.04 0.87 -1.05 -1.01 113.55 112.03 3hgz h SER 861 Ca 0.08 0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.74 3hgz h SER 861 Cb 0.56 0.56 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 3hgz h SER 861 CO -0.34 -0.28 -0.50 0.03 -0.53 0.00 0.00 176.83 175.21 3hgz h ARG 862 N -0.04 0.54 -0.66 2.24 2.47 -0.79 -0.38 114.38 117.75 3hgz h ARG 862 Ca 0.34 -0.32 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 3hgz h ARG 862 Cb 0.59 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.90 3hgz h ARG 862 CO -0.82 0.92 0.30 0.28 0.56 0.00 0.00 179.97 181.20 3hgz h VAL 863 N 0.42 1.23 -0.28 2.04 2.07 -0.98 0.13 116.25 120.88 3hgz h VAL 863 Ca 0.02 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3hgz h VAL 863 Cb 1.03 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3hgz h VAL 863 CO 0.09 0.27 0.17 -0.33 0.02 0.00 0.00 177.57 177.80 3hgz h GLU 864 N 0.92 0.38 -0.14 1.57 4.39 -0.89 0.15 114.58 120.96 3hgz h GLU 864 Ca 0.22 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.94 3hgz h GLU 864 Cb 0.15 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 3hgz h GLU 864 CO -0.02 0.29 -0.30 0.00 -1.16 0.00 0.00 179.01 177.82 3hgz h ALA 865 N 1.06 -0.33 -0.90 3.43 0.00 -0.88 -2.46 119.26 119.17 3hgz h ALA 865 Ca 0.10 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3hgz h ALA 865 Cb 0.01 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 3hgz h ALA 865 CO -0.02 -0.77 0.50 0.35 0.00 0.00 0.00 179.25 179.31 3hgz h PHE 866 N -0.37 0.88 -0.92 0.00 3.57 -0.16 -0.50 116.94 119.44 3hgz h PHE 866 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hgz h PHE 866 Cb 0.53 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3hgz h PHE 866 CO -0.39 0.23 0.61 1.25 -2.23 0.00 0.00 178.31 177.77 3hgz h LEU 867 N 0.70 1.05 0.00 0.59 5.85 -0.52 -1.18 115.31 121.80 3hgz h LEU 867 Ca 0.49 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 3hgz h LEU 867 Cb 0.69 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hgz h LEU 867 CO -0.35 0.75 -0.00 0.40 -0.34 0.00 0.00 178.44 178.90 3hgz h ILE 868 N 1.23 1.15 -0.93 4.05 1.08 -0.82 -2.69 117.51 120.58 3hgz h ILE 868 Ca 0.34 -0.45 0.16 0.00 -0.39 0.00 0.00 64.86 64.52 3hgz h ILE 868 Cb -0.12 1.46 -0.16 0.00 -3.07 0.00 0.00 36.82 34.92 3hgz h ILE 868 CO -0.08 0.12 -0.32 0.74 -0.69 0.00 0.00 178.15 177.92 3hgz h THR 869 N -0.20 0.05 -0.73 -0.27 2.02 -1.10 -1.92 112.91 110.76 3hgz h THR 869 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3hgz h THR 869 Cb 0.20 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 3hgz h THR 869 CO 0.00 0.00 0.46 0.24 0.37 0.00 0.00 175.52 176.59 3hgz h MET 870 N -0.02 0.88 -0.13 6.66 2.86 -0.91 0.23 114.93 124.51 3hgz h MET 870 Ca 0.38 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 3hgz h MET 870 Cb 0.63 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3hgz h MET 870 CO -0.95 0.58 -0.00 1.49 1.06 0.00 0.00 176.91 179.09 3hgz h GLU 871 N 0.91 0.23 -0.53 1.72 4.81 -1.14 0.05 114.58 120.63 3hgz h GLU 871 Ca 0.29 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.55 3hgz h GLU 871 Cb 0.01 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.28 3hgz h GLU 871 CO -0.11 0.48 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.37 3hgz h LYS 872 N -0.04 0.06 -0.71 1.92 3.11 -0.95 -1.44 116.57 118.50 3hgz h LYS 872 Ca 0.04 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 3hgz h LYS 872 Cb 0.38 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 3hgz h LYS 872 CO 0.01 0.04 0.46 1.03 -2.81 0.00 0.00 179.45 178.17 3hgz h SER 873 N 0.06 0.83 0.93 4.20 0.87 -0.31 -1.72 113.55 118.41 3hgz h SER 873 Ca 0.26 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3hgz h SER 873 Cb 0.41 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3hgz h SER 873 CO -0.49 0.61 -0.21 0.40 -0.53 0.00 0.00 176.83 176.61 3hgz h ILE 874 N 0.97 0.52 0.04 2.23 2.04 0.04 -1.23 117.51 122.12 3hgz h ILE 874 Ca 0.26 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 3hgz h ILE 874 Cb -0.09 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3hgz h ILE 874 CO -0.05 0.21 -0.02 -0.33 0.00 0.00 0.00 178.15 177.95 3hgz h GLU 875 N 0.00 -0.05 0.00 2.37 5.08 -0.85 -3.33 114.58 117.79 3hgz h GLU 875 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3hgz h GLU 875 Cb 0.73 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3hgz h GLU 875 CO 0.03 0.62 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.18 3hgz h ASP 876 N -0.85 0.00 -3.79 1.42 3.45 -1.17 -3.45 116.42 112.03 3hgz h ASP 876 Ca -0.01 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 3hgz h ASP 876 Cb 0.69 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 3hgz h ASP 876 CO 0.01 0.04 0.42 0.00 -1.57 0.00 0.00 179.24 178.14 3hgz s MET 877 N -4.35 4.72 1.18 3.56 0.23 -0.48 -5.02 119.30 119.15 3hgz s MET 877 Ca -0.04 1.67 -0.13 0.00 -1.03 0.00 0.00 55.69 56.16 3hgz s MET 877 Cb 0.14 -3.21 0.29 0.00 -1.53 0.00 0.00 34.83 30.52 3hgz s MET 877 CO 0.53 0.33 1.02 0.95 -2.03 0.00 0.00 175.02 175.83 3hgz s THR 878 N -1.18 2.00 0.17 3.16 -4.23 -1.26 -4.83 115.64 109.46 3hgz s THR 878 Ca 0.43 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.84 3hgz s THR 878 Cb -0.29 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.50 3hgz s THR 878 CO 0.37 -0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 175.96 3hgz h GLU 879 N -2.66 1.01 0.36 3.99 4.57 -1.98 -2.97 114.58 116.90 3hgz h GLU 879 Ca -0.62 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.17 3hgz h GLU 879 Cb 1.34 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3hgz h GLU 879 CO 0.51 1.04 -0.17 0.93 -1.18 0.00 0.00 179.01 180.14 3hgz h GLU 880 N 0.88 -0.47 -0.99 1.92 4.39 -1.99 -1.15 114.58 117.17 3hgz h GLU 880 Ca 0.14 0.03 0.36 0.00 0.34 0.00 0.00 59.36 60.24 3hgz h GLU 880 Cb 0.64 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 29.23 3hgz h GLU 880 CO 0.04 -0.23 0.42 0.00 -1.16 0.00 0.00 179.01 178.09 3hgz h ALA 881 N -0.04 1.89 -0.23 3.43 0.00 -1.92 0.39 119.26 122.78 3hgz h ALA 881 Ca -0.05 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3hgz h ALA 881 Cb 0.46 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hgz h ALA 881 CO 0.08 -0.79 -0.04 0.35 0.00 0.00 0.00 179.25 178.85 3hgz h PHE 882 N 0.06 0.49 0.00 0.00 3.57 -1.24 -2.88 116.94 116.94 3hgz h PHE 882 Ca 0.77 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 62.13 3hgz h PHE 882 Cb 1.89 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.51 3hgz h PHE 882 CO -0.12 0.66 -0.16 1.96 -2.23 0.00 0.00 178.31 178.41 3hgz h GLN 883 N 0.18 0.00 -0.40 1.11 1.08 0.87 -2.57 115.11 115.38 3hgz h GLN 883 Ca 0.06 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.13 3hgz h GLN 883 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3hgz h GLN 883 CO 0.02 0.16 -0.27 -0.22 -0.95 0.00 0.00 178.83 177.57 3hgz h LYS 884 N 0.00 0.86 -0.36 1.46 3.64 -0.65 -1.43 116.57 120.09 3hgz h LYS 884 Ca -0.00 -0.38 -0.15 0.00 -1.27 0.00 0.00 60.65 58.85 3hgz h LYS 884 Cb 0.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3hgz h LYS 884 CO 0.02 1.02 -0.36 0.45 -2.27 0.00 0.00 179.45 178.31 3hgz h HIS 885 N 0.73 0.99 -0.19 1.91 3.86 -1.26 -0.65 115.15 120.55 3hgz h HIS 885 Ca 0.09 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3hgz h HIS 885 Cb 0.82 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 3hgz h HIS 885 CO 0.05 1.07 0.12 0.82 0.86 0.00 0.00 177.93 180.84 3hgz h ILE 886 N 0.69 1.04 -0.82 2.45 2.04 -1.28 -1.48 117.51 120.15 3hgz h ILE 886 Ca 0.06 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3hgz h ILE 886 Cb 0.93 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3hgz h ILE 886 CO 0.09 0.04 0.45 -0.61 0.00 0.00 0.00 178.15 178.12 3hgz h GLN 887 N 0.24 1.15 0.36 2.37 5.75 -1.08 0.01 115.11 123.90 3hgz h GLN 887 Ca 0.07 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3hgz h GLN 887 Cb -0.02 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.31 3hgz h GLN 887 CO -0.02 0.84 -0.17 0.00 -2.65 0.00 0.00 178.83 176.83 3hgz h ALA 888 N 1.34 -0.48 -0.47 3.38 0.00 -0.84 -0.80 119.26 121.40 3hgz h ALA 888 Ca 0.29 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3hgz h ALA 888 Cb 0.03 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 3hgz h ALA 888 CO -0.05 -0.67 -0.08 1.25 0.00 0.00 0.00 179.25 179.70 3hgz h LEU 889 N -0.67 -0.37 -0.40 0.00 6.46 -1.03 -1.21 115.31 118.09 3hgz h LEU 889 Ca -0.05 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 3hgz h LEU 889 Cb 0.47 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 40.59 3hgz h LEU 889 CO 0.08 -0.13 -0.08 0.00 -0.62 0.00 0.00 178.44 177.69 3hgz h ALA 890 N 1.45 0.29 -0.69 1.25 0.00 -0.87 1.00 119.26 121.68 3hgz h ALA 890 Ca 0.23 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.33 3hgz h ALA 890 Cb 0.35 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3hgz h ALA 890 CO -0.46 -0.44 0.41 0.82 0.00 0.00 0.00 179.25 179.58 3hgz h ILE 891 N 0.02 1.02 -0.11 0.00 1.08 -0.23 -1.10 117.51 118.20 3hgz h ILE 891 Ca 0.19 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3hgz h ILE 891 Cb 0.29 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 3hgz h ILE 891 CO -0.39 0.14 0.02 0.03 -0.69 0.00 0.00 178.15 177.26 3hgz h ARG 892 N 0.77 0.18 0.00 2.37 3.08 -0.17 -2.55 114.38 118.07 3hgz h ARG 892 Ca 0.30 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 3hgz h ARG 892 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hgz h ARG 892 CO -0.15 0.36 -0.32 0.00 -1.07 0.00 0.00 179.97 178.79 3hgz h ARG 893 N -0.04 0.00 -0.02 0.04 2.47 -0.60 -3.09 114.38 113.14 3hgz h ARG 893 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3hgz h ARG 893 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3hgz h ARG 893 CO 0.00 0.32 -0.00 1.28 0.56 0.00 0.00 179.97 182.13 3hgz n LEU 894 N -4.12 2.39 -4.61 3.04 4.77 -0.44 -4.92 117.00 113.11 3hgz n LEU 894 Ca -0.02 -0.80 -0.46 0.00 -0.03 0.00 0.00 56.01 54.70 3hgz n LEU 894 Cb 0.36 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3hgz n LEU 894 CO 0.38 0.40 1.68 -0.67 -1.33 0.00 0.00 177.39 177.85 3hgz n ASP 895 N 0.87 3.30 -4.74 -1.43 -0.08 -0.97 -4.92 116.55 108.58 3hgz n ASP 895 Ca 0.16 0.63 -0.41 0.00 -1.51 0.00 0.00 54.79 53.65 3hgz n ASP 895 Cb 0.50 -1.44 -0.02 0.00 2.34 0.00 0.00 41.12 42.50 3hgz n ASP 895 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3hgz s LYS 896 N 5.23 4.23 0.30 -0.67 3.01 -1.26 -4.98 119.74 125.60 3hgz s LYS 896 Ca 0.98 2.36 -0.29 0.00 -1.01 0.00 0.00 55.97 58.00 3hgz s LYS 896 Cb -0.57 -3.10 -0.13 0.00 -1.01 0.00 0.00 37.83 33.03 3hgz s LYS 896 CO 0.45 -0.47 1.32 -2.30 0.51 0.00 0.00 175.35 174.85 3hgz n PRO 897 N 2.41 2.04 0.03 -1.68 -0.02 -1.26 -4.92 135.00 131.60 3hgz n PRO 897 Ca 0.07 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 3hgz n PRO 897 Cb 0.40 -2.32 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3hgz n PRO 897 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hgz n LYS 898 N 1.13 0.25 -3.79 -0.52 4.76 -1.26 -4.94 118.16 113.79 3hgz n LYS 898 Ca 0.08 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 3hgz n LYS 898 Cb 0.34 -1.60 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 3hgz n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3hgz s LYS 899 N -3.16 0.88 0.12 1.97 -2.85 -1.26 -4.26 119.74 111.17 3hgz s LYS 899 Ca 0.05 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 3hgz s LYS 899 Cb 0.15 0.37 -0.11 0.00 -2.06 0.00 0.00 37.83 36.18 3hgz s LYS 899 CO 0.78 -0.30 1.50 1.25 0.10 0.00 0.00 175.35 178.68 3hgz h LEU 900 N 2.76 -1.68 -1.00 2.77 5.85 -1.95 -1.59 115.31 120.46 3hgz h LEU 900 Ca -0.34 0.22 0.30 0.00 0.84 0.00 0.00 57.88 58.90 3hgz h LEU 900 Cb 1.21 0.68 -0.14 0.00 0.37 0.00 0.00 40.66 42.78 3hgz h LEU 900 CO 0.52 -0.39 0.58 0.28 -0.34 0.00 0.00 178.44 179.09 3hgz h SER 901 N -0.41 0.57 -0.50 1.25 0.02 -1.98 0.18 113.55 112.69 3hgz h SER 901 Ca 0.06 0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3hgz h SER 901 Cb 0.56 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3hgz h SER 901 CO -0.51 -0.06 -0.09 0.00 -1.14 0.00 0.00 176.83 175.03 3hgz h ALA 902 N 1.81 0.69 -0.10 3.77 0.00 -1.73 -0.28 119.26 123.42 3hgz h ALA 902 Ca 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3hgz h ALA 902 Cb 1.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hgz h ALA 902 CO -0.56 0.58 -0.03 1.49 0.00 0.00 0.00 179.25 180.73 3hgz h GLU 903 N 0.81 0.20 -0.57 0.00 4.81 -0.31 -2.80 114.58 116.71 3hgz h GLU 903 Ca 0.13 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 3hgz h GLU 903 Cb 0.64 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.92 3hgz h GLU 903 CO 0.04 0.51 0.07 0.77 -0.73 0.00 0.00 179.01 179.68 3hgz h SER 904 N -0.13 -0.10 -0.53 1.04 0.02 -0.96 -1.98 113.55 110.92 3hgz h SER 904 Ca 0.03 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3hgz h SER 904 Cb 0.44 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 3hgz h SER 904 CO 0.01 -0.03 0.13 0.00 -1.14 0.00 0.00 176.83 175.79 3hgz h ALA 905 N 1.48 0.61 -0.33 3.77 0.00 -0.88 0.28 119.26 124.20 3hgz h ALA 905 Ca 0.30 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.34 3hgz h ALA 905 Cb 0.45 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hgz h ALA 905 CO -0.43 -0.29 0.14 0.87 0.00 0.00 0.00 179.25 179.55 3hgz h LYS 906 N 0.27 0.30 -0.22 0.00 1.57 -1.11 -0.70 116.57 116.68 3hgz h LYS 906 Ca 0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3hgz h LYS 906 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3hgz h LYS 906 CO -0.33 0.20 0.08 1.88 -0.57 0.00 0.00 179.45 180.71 3hgz h TYR 907 N 0.31 0.33 -0.13 -1.35 0.99 -0.96 -2.81 116.97 113.35 3hgz h TYR 907 Ca 0.14 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.88 3hgz h TYR 907 Cb 0.08 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 3hgz h TYR 907 CO -0.11 0.38 0.09 2.35 -0.00 0.00 0.00 178.16 180.86 3hgz h TRP 908 N 0.19 0.02 -0.35 4.88 -0.00 -0.10 0.89 115.95 121.49 3hgz h TRP 908 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.90 3hgz h TRP 908 Cb 0.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.33 3hgz h TRP 908 CO -0.01 0.01 -0.01 0.78 -0.00 0.00 0.00 178.44 179.21 3hgz h GLY 909 N 0.02 0.68 1.08 2.65 0.00 -0.88 -1.12 103.07 105.50 3hgz h GLY 909 Ca 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3hgz h GLY 909 CO -0.00 0.47 0.40 0.83 0.00 0.00 0.00 176.54 178.24 3hgz h GLU 910 N 0.44 1.19 -0.07 4.80 4.39 -0.78 -2.59 114.58 121.96 3hgz h GLU 910 Ca 0.10 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 3hgz h GLU 910 Cb 0.48 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hgz h GLU 910 CO 0.02 0.91 -0.13 0.82 -1.16 0.00 0.00 179.01 179.47 3hgz h ILE 911 N 1.18 1.41 0.00 3.13 2.04 -0.71 -0.96 117.51 123.60 3hgz h ILE 911 Ca 0.29 -1.43 -0.13 0.00 1.00 0.00 0.00 64.86 64.59 3hgz h ILE 911 Cb 0.11 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 3hgz h ILE 911 CO -0.04 0.40 -0.62 0.16 0.00 0.00 0.00 178.15 178.06 3hgz h ILE 912 N -0.28 1.27 0.00 -0.67 3.07 -1.23 -0.78 117.51 118.89 3hgz h ILE 912 Ca 0.00 -2.24 0.00 0.00 1.55 0.00 0.00 64.86 64.17 3hgz h ILE 912 Cb 0.71 2.27 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 3hgz h ILE 912 CO 0.03 0.60 0.00 -1.54 -1.05 0.00 0.00 178.15 176.19 3hgz n SER 913 N -3.56 0.00 -2.50 2.16 3.41 -0.98 -4.92 113.62 107.23 3hgz n SER 913 Ca -0.00 0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.62 3hgz n SER 913 Cb 0.67 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3hgz n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgz n GLN 914 N -1.39 -2.22 -0.05 4.33 6.02 -0.30 -4.83 117.38 118.95 3hgz n GLN 914 Ca 0.10 0.81 -0.07 0.00 -0.01 0.00 0.00 57.00 57.83 3hgz n GLN 914 Cb 0.26 -5.47 -0.14 0.00 1.02 0.00 0.00 30.24 25.91 3hgz n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hgz n GLN 915 N -3.03 0.66 -4.13 -1.09 6.02 -0.81 -4.11 117.38 110.88 3hgz n GLN 915 Ca -0.19 0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.59 3hgz n GLN 915 Cb 0.65 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 3hgz n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hgz n TYR 916 N -2.86 -1.75 -2.63 1.08 4.02 -0.43 -1.69 117.16 112.89 3hgz n TYR 916 Ca -0.22 0.76 -0.42 0.00 -0.01 0.00 0.00 57.90 58.01 3hgz n TYR 916 Cb 1.04 -2.91 0.01 0.00 -0.02 0.00 0.00 39.34 37.46 3hgz n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hgz n ASN 917 N -2.60 6.75 0.30 7.72 2.85 -1.26 -4.76 115.26 124.25 3hgz n ASN 917 Ca 0.07 -3.41 0.18 0.00 -0.11 0.00 0.00 54.58 51.31 3hgz n ASN 917 Cb 0.49 -1.29 0.98 0.00 1.24 0.00 0.00 39.78 41.20 3hgz n ASN 917 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3hgz h PHE 918 N 4.98 0.00 -0.28 1.20 0.04 -1.97 -0.28 116.94 120.64 3hgz h PHE 918 Ca 0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 3hgz h PHE 918 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 3hgz h PHE 918 CO 1.24 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 175.48 3hgz n ASP 919 N -2.85 3.19 -0.32 2.17 -0.08 -1.26 -4.74 116.55 112.66 3hgz n ASP 919 Ca -0.02 -2.42 0.16 0.00 -1.51 0.00 0.00 54.79 51.00 3hgz n ASP 919 Cb 0.16 -0.34 0.40 0.00 2.34 0.00 0.00 41.12 43.68 3hgz n ASP 919 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3hgz h ARG 920 N 1.72 0.59 -0.29 -0.67 2.43 -1.45 -2.59 114.38 114.12 3hgz h ARG 920 Ca 0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hgz h ARG 920 Cb 0.99 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 3hgz h ARG 920 CO 0.08 0.39 0.09 -0.44 -1.51 0.00 0.00 179.97 178.59 3hgz h ASP 921 N 0.61 0.10 -0.22 -3.80 3.32 -1.85 0.21 116.42 114.79 3hgz h ASP 921 Ca 0.56 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.50 3hgz h ASP 921 Cb 1.09 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3hgz h ASP 921 CO -0.33 0.09 -0.40 0.78 -1.72 0.00 0.00 179.24 177.66 3hgz h ASN 922 N 0.22 0.82 0.21 6.45 4.21 -1.85 -1.25 115.58 124.38 3hgz h ASN 922 Ca 0.13 -0.37 -0.00 0.00 1.21 0.00 0.00 56.30 57.26 3hgz h ASN 922 Cb 0.10 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 3hgz h ASN 922 CO -0.14 1.12 -0.35 0.74 -1.29 0.00 0.00 177.43 177.51 3hgz h THR 923 N 0.63 0.00 -0.31 2.81 2.02 -1.40 0.19 112.91 116.84 3hgz h THR 923 Ca 0.05 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3hgz h THR 923 Cb 0.96 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3hgz h THR 923 CO 0.09 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.59 3hgz h GLU 924 N -0.60 0.50 -0.26 6.66 5.08 -0.58 0.11 114.58 125.51 3hgz h GLU 924 Ca -0.02 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 3hgz h GLU 924 Cb 0.55 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hgz h GLU 924 CO -0.12 0.58 -0.32 0.28 -1.00 0.00 0.00 179.01 178.43 3hgz h VAL 925 N 0.48 1.31 -0.25 3.13 2.07 -1.23 0.08 116.25 121.84 3hgz h VAL 925 Ca 0.10 -1.50 0.06 0.00 0.82 0.00 0.00 66.70 66.18 3hgz h VAL 925 Cb 0.41 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 3hgz h VAL 925 CO 0.02 0.48 -0.28 0.00 0.02 0.00 0.00 177.57 177.80 3hgz h ALA 926 N 0.67 -0.21 -0.96 1.67 0.00 0.07 -1.90 119.26 118.60 3hgz h ALA 926 Ca 0.03 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hgz h ALA 926 Cb 0.89 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3hgz h ALA 926 CO 0.08 -0.72 0.62 -0.92 0.00 0.00 0.00 179.25 178.31 3hgz h TYR 927 N -0.29 1.22 -0.60 0.00 3.20 -0.90 -3.14 116.97 116.46 3hgz h TYR 927 Ca 0.14 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.11 3hgz h TYR 927 Cb 0.50 -0.41 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 3hgz h TYR 927 CO -0.43 0.78 0.26 1.25 -1.64 0.00 0.00 178.16 178.38 3hgz h LEU 928 N 1.31 0.30 -1.95 2.82 6.46 -0.15 -2.48 115.31 121.62 3hgz h LEU 928 Ca 0.35 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 58.18 3hgz h LEU 928 Cb -0.13 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 3hgz h LEU 928 CO -0.07 0.19 0.06 0.11 -0.62 0.00 0.00 178.44 178.11 3hgz h LYS 929 N 0.47 0.07 -0.07 1.25 1.57 -1.45 -0.68 116.57 117.73 3hgz h LYS 929 Ca 0.29 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3hgz h LYS 929 Cb 0.31 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hgz h LYS 929 CO -0.26 0.05 0.25 1.15 -0.57 0.00 0.00 179.45 180.07 3hgz h THR 930 N 0.07 0.11 -3.83 -0.16 2.02 -1.58 -3.46 112.91 106.09 3hgz h THR 930 Ca 0.04 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.74 3hgz h THR 930 Cb 0.07 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3hgz h THR 930 CO -0.01 0.00 0.19 -0.76 0.37 0.00 0.00 175.52 175.32 3hgz s LEU 931 N -6.30 4.07 0.28 2.58 1.02 -0.26 -5.07 118.68 114.99 3hgz s LEU 931 Ca -0.04 1.46 0.07 0.00 0.02 0.00 0.00 54.13 55.64 3hgz s LEU 931 Cb 0.11 -4.17 -0.06 0.00 0.02 0.00 0.00 46.19 42.10 3hgz s LEU 931 CO 0.37 -0.22 -0.06 0.42 0.02 0.00 0.00 176.35 176.88 3hgz s THR 932 N -1.97 1.64 0.29 5.49 -4.23 -1.26 -5.02 115.64 110.58 3hgz s THR 932 Ca 0.55 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3hgz s THR 932 Cb -0.11 -2.44 0.31 0.00 1.34 0.00 0.00 72.50 71.60 3hgz s THR 932 CO 0.17 -0.30 1.64 0.11 -0.54 0.00 0.00 174.62 175.70 3hgz h LYS 933 N 2.28 0.19 -0.31 3.99 1.57 -1.97 -0.45 116.57 121.87 3hgz h LYS 933 Ca -0.40 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.41 3hgz h LYS 933 Cb 1.23 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 3hgz h LYS 933 CO 0.67 0.13 0.08 0.93 -0.57 0.00 0.00 179.45 180.69 3hgz h GLU 934 N 0.20 0.20 -0.94 3.15 4.39 -1.97 -0.67 114.58 118.93 3hgz h GLU 934 Ca 0.55 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.31 3hgz h GLU 934 Cb 1.10 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.63 3hgz h GLU 934 CO -0.66 0.13 0.59 -0.44 -1.16 0.00 0.00 179.01 177.47 3hgz h ASP 935 N 0.20 0.92 0.09 1.42 3.32 -1.49 -0.38 116.42 120.50 3hgz h ASP 935 Ca 0.14 0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.93 3hgz h ASP 935 Cb 0.14 -0.17 0.03 0.00 0.22 0.00 0.00 39.33 39.55 3hgz h ASP 935 CO -0.17 0.57 -1.19 0.40 -1.72 0.00 0.00 179.24 177.13 3hgz h ILE 936 N 1.05 1.28 -0.68 0.35 5.03 -1.03 -2.69 117.51 120.82 3hgz h ILE 936 Ca 0.42 -2.40 0.03 0.00 -0.12 0.00 0.00 64.86 62.79 3hgz h ILE 936 Cb 0.25 2.62 -0.04 0.00 -3.03 0.00 0.00 36.82 36.62 3hgz h ILE 936 CO -0.20 0.73 0.43 0.40 -0.68 0.00 0.00 178.15 178.83 3hgz h ILE 937 N 0.29 1.10 0.35 -0.67 1.08 -0.85 -1.10 117.51 117.72 3hgz h ILE 937 Ca -0.17 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3hgz h ILE 937 Cb 1.86 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 3hgz h ILE 937 CO 0.23 0.15 -0.47 0.11 -0.69 0.00 0.00 178.15 177.48 3hgz h LYS 938 N 0.85 -0.84 -0.80 2.37 6.56 -1.10 -0.19 116.57 123.42 3hgz h LYS 938 Ca 0.27 0.06 0.15 0.00 -1.06 0.00 0.00 60.65 60.06 3hgz h LYS 938 Cb 0.00 0.19 -0.15 0.00 -0.57 0.00 0.00 32.23 31.71 3hgz h LYS 938 CO -0.10 -0.56 -0.28 0.35 -2.06 0.00 0.00 179.45 176.80 3hgz h PHE 939 N -0.87 -0.71 -0.49 -1.35 3.57 -1.36 0.27 116.94 116.00 3hgz h PHE 939 Ca -0.03 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3hgz h PHE 939 Cb 0.80 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 3hgz h PHE 939 CO -0.30 -0.37 0.11 -0.92 -2.23 0.00 0.00 178.31 174.59 3hgz h TYR 940 N -0.05 0.83 -0.68 0.41 5.03 -0.78 -0.96 116.97 120.78 3hgz h TYR 940 Ca 0.34 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3hgz h TYR 940 Cb 0.59 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 3hgz h TYR 940 CO -0.69 0.75 0.43 -0.22 -1.32 0.00 0.00 178.16 177.11 3hgz h LYS 941 N 0.67 0.90 -0.31 1.82 1.63 -0.65 0.46 116.57 121.09 3hgz h LYS 941 Ca 0.15 -0.06 -0.18 0.00 -0.85 0.00 0.00 60.65 59.71 3hgz h LYS 941 Cb 0.35 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3hgz h LYS 941 CO 0.00 0.61 -0.49 0.93 -3.45 0.00 0.00 179.45 177.06 3hgz h GLU 942 N 0.92 0.89 0.00 1.90 4.39 -0.09 -3.38 114.58 119.20 3hgz h GLU 942 Ca 0.25 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hgz h GLU 942 Cb -0.08 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3hgz h GLU 942 CO -0.05 1.17 -0.90 -1.33 -1.16 0.00 0.00 179.01 176.74 3hgz n MET 943 N -4.04 0.59 0.00 2.33 0.00 -0.40 -1.39 117.12 114.21 3hgz n MET 943 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 3hgz n MET 943 Cb 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 33.22 32.87 3hgz n MET 943 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3hgz n LEU 944 N -1.37 2.19 -4.58 4.03 4.77 -0.19 -4.15 117.00 117.69 3hgz n LEU 944 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 3hgz n LEU 944 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3hgz n LEU 944 CO 0.00 0.36 0.43 0.00 -1.33 0.00 0.00 177.39 176.85 3hgz n ALA 945 N -2.59 -0.24 -0.34 -1.18 0.00 0.14 -4.81 120.51 111.50 3hgz n ALA 945 Ca 0.00 -0.06 0.26 0.00 0.00 0.00 0.00 53.44 53.64 3hgz n ALA 945 Cb 0.48 -2.05 0.55 0.00 0.00 0.00 0.00 19.45 18.44 3hgz n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3hgz h VAL 946 N 0.20 0.46 -0.81 0.00 3.04 -1.94 0.93 116.25 118.13 3hgz h VAL 946 Ca -0.48 -0.11 -0.57 0.00 -1.01 0.00 0.00 66.70 64.54 3hgz h VAL 946 Cb 1.36 0.12 -0.37 0.00 -2.01 0.00 0.00 31.29 30.39 3hgz h VAL 946 CO 0.49 0.06 -0.28 -0.90 -1.01 0.00 0.00 177.57 175.92 3hgz n ASP 947 N -4.59 5.66 -4.74 3.17 3.85 -1.26 -5.03 116.55 113.61 3hgz n ASP 947 Ca 0.27 -3.76 -0.41 0.00 -0.71 0.00 0.00 54.79 50.17 3hgz n ASP 947 Cb 0.99 -0.54 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 3hgz n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hgz s ALA 948 N -3.65 3.51 0.27 2.12 0.00 0.32 -4.93 121.76 119.40 3hgz s ALA 948 Ca 0.55 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 3hgz s ALA 948 Cb 0.44 -3.47 0.59 0.00 0.00 0.00 0.00 23.12 20.69 3hgz s ALA 948 CO 0.02 -0.51 1.63 -1.35 0.00 0.00 0.00 175.76 175.55 3hgz h PRO 949 N 5.04 0.12 -0.71 0.00 0.10 -1.74 -3.06 132.00 131.75 3hgz h PRO 949 Ca -0.45 -0.01 -0.50 0.00 0.10 0.00 0.00 66.00 65.14 3hgz h PRO 949 Cb 1.22 -0.03 -0.34 0.00 0.10 0.00 0.00 31.00 31.95 3hgz h PRO 949 CO 0.75 0.08 -0.39 0.54 0.10 0.00 0.00 178.00 179.07 3hgz n ARG 950 N -5.34 3.12 -2.24 1.05 1.74 -0.49 -3.92 116.66 110.59 3hgz n ARG 950 Ca 0.18 -3.84 -0.42 0.00 -0.77 0.00 0.00 57.85 53.00 3hgz n ARG 950 Cb 0.60 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 3hgz n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hgz s ARG 951 N -3.58 4.31 -0.30 5.56 3.52 -1.16 -4.68 118.95 122.62 3hgz s ARG 951 Ca 0.52 1.96 0.01 0.00 -0.13 0.00 0.00 55.73 58.10 3hgz s ARG 951 Cb 0.43 -3.48 0.09 0.00 -1.56 0.00 0.00 34.95 30.43 3hgz s ARG 951 CO 0.02 -0.51 0.04 -1.01 -0.81 0.00 0.00 175.30 173.02 3hgz s HIS 952 N 1.98 2.60 -0.15 5.12 3.76 -1.26 -0.69 115.29 126.66 3hgz s HIS 952 Ca 0.63 -2.16 0.01 0.00 -0.15 0.00 0.00 55.06 53.39 3hgz s HIS 952 Cb -0.32 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.30 3hgz s HIS 952 CO 0.27 -0.87 -0.18 0.21 -0.85 0.00 0.00 174.74 173.33 3hgz s LYS 953 N 1.31 2.64 0.01 1.40 2.20 -1.16 -0.72 119.74 125.42 3hgz s LYS 953 Ca 0.06 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 3hgz s LYS 953 Cb -0.18 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 3hgz s LYS 953 CO -0.14 -0.14 -0.17 0.08 -0.36 0.00 0.00 175.35 174.62 3hgz s VAL 954 N 1.17 2.84 -0.04 4.02 1.01 -0.48 -0.88 120.40 128.04 3hgz s VAL 954 Ca -0.00 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.96 3hgz s VAL 954 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3hgz s VAL 954 CO -0.07 0.42 -0.15 -0.44 0.00 0.00 0.00 175.10 174.86 3hgz s SER 955 N -1.22 1.91 -0.23 3.32 0.01 -0.11 -0.51 113.70 116.88 3hgz s SER 955 Ca 0.14 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 57.02 3hgz s SER 955 Cb -0.11 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 3hgz s SER 955 CO 0.04 0.12 0.04 -0.69 0.41 0.00 0.00 173.24 173.15 3hgz s VAL 956 N 0.17 4.16 -0.23 3.43 1.01 0.32 -0.95 120.40 128.32 3hgz s VAL 956 Ca -0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hgz s VAL 956 Cb -0.12 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3hgz s VAL 956 CO 0.02 0.38 0.04 -1.00 0.00 0.00 0.00 175.10 174.54 3hgz s HIS 957 N 1.34 3.07 -0.33 5.22 3.76 0.08 -1.76 115.29 126.67 3hgz s HIS 957 Ca 0.05 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 3hgz s HIS 957 Cb -0.15 -2.17 0.07 0.00 1.11 0.00 0.00 32.58 31.44 3hgz s HIS 957 CO 0.02 -0.31 0.05 0.08 -0.85 0.00 0.00 174.74 173.73 3hgz s VAL 958 N 1.35 2.98 0.44 -0.90 1.01 0.90 -1.05 120.40 125.14 3hgz s VAL 958 Ca 0.05 -1.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 3hgz s VAL 958 Cb -0.15 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 3hgz s VAL 958 CO 0.02 -0.29 1.09 -0.76 0.00 0.00 0.00 175.10 175.17 3hgz s LEU 959 N 1.19 4.03 0.97 3.92 1.43 0.58 -0.25 118.68 130.56 3hgz s LEU 959 Ca -0.01 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3hgz s LEU 959 Cb -0.20 -4.29 0.18 0.00 0.03 0.00 0.00 46.19 41.90 3hgz s LEU 959 CO -0.02 -0.72 1.11 0.00 0.23 0.00 0.00 176.35 176.94 3hgz s ALA 960 N -1.68 0.98 0.23 4.21 0.00 -1.21 -0.87 121.76 123.42 3hgz s ALA 960 Ca 0.62 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 3hgz s ALA 960 Cb -0.23 -3.36 0.31 0.00 0.00 0.00 0.00 23.12 19.84 3hgz s ALA 960 CO 0.28 -2.97 1.61 -0.09 0.00 0.00 0.00 175.76 174.59 3hgz h ARG 961 N -2.01 0.00 0.00 0.00 2.43 -0.73 -3.18 114.38 110.89 3hgz h ARG 961 Ca -0.49 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.52 3hgz h ARG 961 Cb 1.28 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 3hgz h ARG 961 CO 0.46 0.00 -1.38 0.93 -1.51 0.00 0.00 179.97 178.47 3hgz h GLU 962 N 0.00 0.00 -7.09 0.20 4.39 -1.87 -3.47 114.58 106.74 3hgz h GLU 962 Ca 0.36 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.51 3hgz h GLU 962 Cb 0.56 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.35 3hgz h GLU 962 CO -0.77 0.28 0.53 -1.64 -1.16 0.00 0.00 179.01 176.25 3hgz s MET 963 N -2.94 2.80 0.00 2.33 -1.94 -1.20 -4.98 119.30 113.37 3hgz s MET 963 Ca -0.03 2.05 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 3hgz s MET 963 Cb 0.09 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.96 3hgz s MET 963 CO 0.81 -1.40 0.00 -0.25 -0.01 0.00 0.00 175.02 174.17 3hgz n ASP 964 N -1.62 2.74 -4.65 3.03 8.00 -1.26 -4.81 116.55 117.98 3hgz n ASP 964 Ca 0.14 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 3hgz n ASP 964 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 3hgz n ASP 964 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hgz s SER 965 N -4.21 4.05 -0.39 -2.24 0.15 -1.26 -5.13 113.70 104.66 3hgz s SER 965 Ca 0.00 -1.23 0.03 0.00 0.70 0.00 0.00 55.95 55.45 3hgz s SER 965 Cb 0.00 -0.43 0.16 0.00 -1.71 0.00 0.00 66.02 64.04 3hgz s SER 965 CO 0.00 -0.43 0.31 0.21 1.20 0.00 0.00 173.24 174.53 3hgz s ASN 966 N -3.75 1.81 0.00 5.45 2.47 -1.26 -5.08 114.94 114.58 3hgz s ASN 966 Ca 0.36 -2.84 0.00 0.00 0.42 0.00 0.00 52.86 50.81 3hgz s ASN 966 Cb 0.06 -0.42 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 3hgz s ASN 966 CO 0.19 -0.21 0.04 -2.65 -3.72 0.00 0.00 177.10 170.75 3hgz n PRO 967 N 3.16 0.00 -3.01 0.43 -0.02 -1.26 -4.99 135.00 129.31 3hgz n PRO 967 Ca 0.25 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 3hgz n PRO 967 Cb 0.45 -0.36 -0.04 0.00 -0.02 0.00 0.00 33.50 33.53 3hgz n PRO 967 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hgz s ASN 979 N -1.61 6.54 0.18 2.55 3.04 -1.26 -4.99 114.94 119.38 3hgz s ASN 979 Ca 0.00 1.05 -0.07 0.00 0.04 0.00 0.00 52.86 53.88 3hgz s ASN 979 Cb 0.00 -2.29 -0.06 0.00 -1.54 0.00 0.00 41.25 37.36 3hgz s ASN 979 CO 0.00 -0.32 0.45 -0.76 -3.04 0.00 0.00 177.10 173.43 3hgz s LEU 980 N -3.65 4.22 0.97 3.21 1.43 -1.26 -5.08 118.68 118.53 3hgz s LEU 980 Ca 0.50 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 3hgz s LEU 980 Cb -0.10 -3.48 0.18 0.00 0.03 0.00 0.00 46.19 42.81 3hgz s LEU 980 CO 0.29 -0.00 1.12 -0.94 0.23 0.00 0.00 176.35 177.04 3hgz s SER 981 N -2.40 2.47 0.11 2.29 1.04 -1.26 -4.95 113.70 111.01 3hgz s SER 981 Ca 0.44 2.02 -0.31 0.00 0.48 0.00 0.00 55.95 58.58 3hgz s SER 981 Cb -0.12 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 3hgz s SER 981 CO 0.23 -3.35 1.38 -1.10 0.98 0.00 0.00 173.24 171.38 3hgz s GLN 982 N -4.61 4.32 -0.15 4.02 -1.52 -1.26 -4.99 119.66 115.47 3hgz s GLN 982 Ca 0.67 2.06 -0.08 0.00 -1.95 0.00 0.00 55.36 56.06 3hgz s GLN 982 Cb -0.23 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.26 3hgz s GLN 982 CO 0.59 -0.43 0.11 0.00 -0.25 0.00 0.00 175.29 175.32 3hgz s ALA 983 N 1.13 3.70 0.58 6.09 0.00 -1.26 -4.46 121.76 127.53 3hgz s ALA 983 Ca 0.64 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.77 3hgz s ALA 983 Cb -0.36 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 3hgz s ALA 983 CO 0.30 0.40 1.03 -1.25 0.00 0.00 0.00 175.76 176.24 3hgz s PRO 984 N -0.35 3.53 0.15 0.00 0.04 -1.26 -4.97 135.00 132.14 3hgz s PRO 984 Ca 0.11 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 3hgz s PRO 984 Cb -0.12 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3hgz s PRO 984 CO 0.01 -0.63 1.27 0.00 0.04 0.00 0.00 177.00 177.69 3hgz s ALA 985 N -2.63 3.49 0.02 8.56 0.00 -1.26 -4.98 121.76 124.95 3hgz s ALA 985 Ca 0.61 1.01 -0.00 0.00 0.00 0.00 0.00 51.96 53.57 3hgz s ALA 985 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3hgz s ALA 985 CO 0.38 -0.48 0.12 -0.51 0.00 0.00 0.00 175.76 175.27 3hgz s LEU 986 N 0.34 4.06 1.03 0.00 1.43 -1.26 -5.09 118.68 119.19 3hgz s LEU 986 Ca 0.58 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 3hgz s LEU 986 Cb -0.34 -2.49 0.19 0.00 0.03 0.00 0.00 46.19 43.58 3hgz s LEU 986 CO 0.34 0.24 0.96 -2.65 0.23 0.00 0.00 176.35 175.47 3hgz n PRO 987 N 0.87 -1.29 -2.10 1.29 -0.02 -1.26 -4.96 135.00 127.53 3hgz n PRO 987 Ca -0.11 -0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 60.62 3hgz n PRO 987 Cb 0.52 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3hgz n PRO 987 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hgz s GLN 988 N -4.38 4.01 0.29 -0.52 2.00 -1.26 -5.01 119.66 114.80 3hgz s GLN 988 Ca 0.66 1.89 -0.28 0.00 -2.00 0.00 0.00 55.36 55.63 3hgz s GLN 988 Cb -0.23 -3.98 -0.09 0.00 0.80 0.00 0.00 33.01 29.50 3hgz s GLN 988 CO 0.62 -1.03 0.97 -1.25 -0.50 0.00 0.00 175.29 174.10 3hgz s PRO 989 N 4.26 4.66 -0.49 1.67 0.04 -1.26 -4.90 135.00 138.99 3hgz s PRO 989 Ca 0.70 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 3hgz s PRO 989 Cb -0.28 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.26 3hgz s PRO 989 CO 0.27 0.33 1.16 -2.00 0.04 0.00 0.00 177.00 176.80 3hgz s GLU 990 N -1.66 3.69 -0.44 4.56 2.12 -0.35 -4.91 118.70 121.71 3hgz s GLU 990 Ca 0.46 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 56.05 3hgz s GLU 990 Cb -0.24 -3.92 0.03 0.00 0.26 0.00 0.00 34.13 30.25 3hgz s GLU 990 CO 0.30 -1.42 1.15 0.08 -0.54 0.00 0.00 175.26 174.82 3hgz s VAL 991 N 4.55 4.24 -0.10 3.70 1.01 -1.26 -2.01 120.40 130.53 3hgz s VAL 991 Ca 0.48 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 3hgz s VAL 991 Cb -0.07 -4.54 -0.07 0.00 0.00 0.00 0.00 36.38 31.70 3hgz s VAL 991 CO 0.31 -0.89 2.10 -0.63 0.00 0.00 0.00 175.10 175.99 3hgz s ILE 992 N 4.37 3.02 -0.05 2.22 1.01 0.58 -4.87 121.20 127.48 3hgz s ILE 992 Ca 0.48 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 61.08 3hgz s ILE 992 Cb -0.09 -3.02 -0.29 0.00 0.01 0.00 0.00 42.46 39.08 3hgz s ILE 992 CO 0.29 -0.01 0.64 -0.61 0.00 0.00 0.00 174.94 175.25 3hgz h GLN 993 N 12.98 0.31 -2.75 2.79 5.75 -1.93 -3.43 115.11 128.84 3hgz h GLN 993 Ca -0.45 -0.54 -0.13 0.00 -0.15 0.00 0.00 58.65 57.38 3hgz h GLN 993 Cb 1.24 0.20 -0.27 0.00 1.07 0.00 0.00 27.48 29.72 3hgz h GLN 993 CO 0.95 1.21 -0.33 1.21 -2.65 0.00 0.00 178.83 179.22 3hgz s ASN 994 N -7.10 -0.45 0.00 -0.69 3.84 -1.26 -5.08 114.94 104.20 3hgz s ASN 994 Ca -0.15 0.80 -0.23 0.00 0.21 0.00 0.00 52.86 53.49 3hgz s ASN 994 Cb 0.06 0.70 -0.18 0.00 -0.55 0.00 0.00 41.25 41.28 3hgz s ASN 994 CO 0.83 -0.18 1.25 0.24 -2.79 0.00 0.00 177.10 176.45 3hgz h MET 995 N 6.89 0.22 -0.41 0.43 2.86 -1.99 -2.15 114.93 120.78 3hgz h MET 995 Ca -0.36 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.21 3hgz h MET 995 Cb 1.18 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.79 3hgz h MET 995 CO 0.31 0.72 0.01 1.15 1.06 0.00 0.00 176.91 180.16 3hgz h THR 996 N -0.25 0.70 0.41 2.22 2.02 -1.98 -1.46 112.91 114.57 3hgz h THR 996 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3hgz h THR 996 Cb 0.71 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hgz h THR 996 CO 0.03 0.02 -0.20 -0.33 0.37 0.00 0.00 175.52 175.41 3hgz h GLU 997 N 0.12 -0.53 -0.85 6.66 5.08 -1.99 -1.11 114.58 121.96 3hgz h GLU 997 Ca 0.20 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.81 3hgz h GLU 997 Cb 0.28 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.51 3hgz h GLU 997 CO -0.33 -0.35 0.18 0.35 -1.00 0.00 0.00 179.01 177.86 3hgz h PHE 998 N -0.55 0.25 -0.28 4.33 3.57 -1.19 -1.36 116.94 121.71 3hgz h PHE 998 Ca -0.06 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 3hgz h PHE 998 Cb 0.42 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3hgz h PHE 998 CO -0.05 -0.21 -0.52 0.87 -2.23 0.00 0.00 178.31 176.17 3hgz h LYS 999 N 0.19 0.81 -0.02 1.11 1.57 -0.86 -3.13 116.57 116.24 3hgz h LYS 999 Ca 0.52 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3hgz h LYS 999 Cb 1.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3hgz h LYS 999 CO -0.66 1.13 -0.26 0.00 -0.57 0.00 0.00 179.45 179.10 3hgz h ARG 1000N 0.63 0.03 -0.02 3.15 3.08 -0.51 -2.66 114.38 118.09 3hgz h ARG 1000Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hgz h ARG 1000Cb 1.11 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hgz h ARG 1000CO 0.11 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 3hgz n GLY 1001N -0.75 -0.77 3.24 0.04 0.00 -0.58 -4.89 105.19 101.47 3hgz n GLY 1001Ca -0.02 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 3hgz n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hgz s LEU 1002N -1.83 2.33 1.21 0.99 1.43 -1.00 -5.08 118.68 116.73 3hgz s LEU 1002Ca 0.39 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 3hgz s LEU 1002Cb 0.19 -0.65 0.31 0.00 0.03 0.00 0.00 46.19 46.06 3hgz s LEU 1002CO 0.31 -0.06 0.98 -2.65 0.23 0.00 0.00 176.35 175.16 3hgz n PRO 1003N 0.93 -2.76 -4.70 1.29 -0.02 -1.26 -4.82 135.00 123.66 3hgz n PRO 1003Ca -0.18 -0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 60.24 3hgz n PRO 1003Cb 0.55 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 3hgz n PRO 1003CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hgz s LEU 1004N -7.26 2.20 0.77 2.45 1.43 -1.26 -1.50 118.68 115.51 3hgz s LEU 1004Ca 0.69 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 3hgz s LEU 1004Cb -0.25 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 44.87 3hgz s LEU 1004CO 0.66 0.20 1.09 -0.36 0.23 0.00 0.00 176.35 178.17 3hgz s PHE 1005N -0.87 2.64 1.16 0.29 0.40 -0.66 -4.84 117.98 116.10 3hgz s PHE 1005Ca 0.10 1.51 -0.14 0.00 -0.60 0.00 0.00 56.93 57.80 3hgz s PHE 1005Cb -0.10 -3.03 0.27 0.00 0.51 0.00 0.00 43.02 40.68 3hgz s PHE 1005CO 0.03 -1.76 1.04 -2.14 0.70 0.00 0.00 175.22 173.08 3hgz s PRO 1006N -4.93 -0.90 0.18 0.24 0.02 -1.26 -4.70 135.00 123.65 3hgz s PRO 1006Ca 0.61 0.59 -0.05 0.00 0.02 0.00 0.00 61.00 62.17 3hgz s PRO 1006Cb -0.17 -1.58 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 3hgz s PRO 1006CO 0.56 -3.64 0.42 -0.51 -0.33 0.00 0.00 177.00 173.50 3hgz s LEU 1007N -7.09 4.22 0.29 -5.54 1.02 -1.26 -4.82 118.68 105.50 3hgz s LEU 1007Ca 0.68 0.61 -0.29 0.00 0.02 0.00 0.00 54.13 55.15 3hgz s LEU 1007Cb -0.21 -3.36 -0.10 0.00 0.02 0.00 0.00 46.19 42.54 3hgz s LEU 1007CO 0.62 -0.01 1.39 -0.69 0.02 0.00 0.00 176.35 177.68 3hgz s VAL 1008N -1.76 2.66 -0.06 -1.59 1.01 -1.26 -4.96 120.40 114.43 3hgz s VAL 1008Ca 0.42 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 3hgz s VAL 1008Cb -0.12 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3hgz s VAL 1008CO 0.26 0.12 1.52 -0.75 0.00 0.00 0.00 175.10 176.24 3hgz s LYS 1009N -1.03 4.21 0.27 2.72 2.47 -1.26 -4.96 119.74 122.15 3hgz s LYS 1009Ca 0.55 2.04 -0.31 0.00 -1.56 0.00 0.00 55.97 56.69 3hgz s LYS 1009Cb -0.41 -3.85 -0.12 0.00 -1.46 0.00 0.00 37.83 32.00 3hgz s LYS 1009CO 0.48 -0.76 1.64 -2.30 0.16 0.00 0.00 175.35 174.57 3hgz n PRO 1010N 6.63 2.74 0.00 4.03 -0.02 -1.26 -4.92 135.00 142.21 3hgz n PRO 1010Ca 0.16 0.98 0.04 0.00 -2.02 0.00 0.00 63.50 62.66 3hgz n PRO 1010Cb 0.43 -2.79 0.26 0.00 -0.02 0.00 0.00 33.50 31.39 3hgz n PRO 1010CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06