#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks9 s ARG 36 N 0.00 3.85 0.76 3.69 3.52 -1.26 -4.99 118.95 124.52 3ks9 s ARG 36 Ca 0.00 2.00 -0.14 0.00 -0.13 0.00 0.00 55.73 57.46 3ks9 s ARG 36 Cb 0.00 -2.61 0.05 0.00 -1.56 0.00 0.00 34.95 30.84 3ks9 s ARG 36 CO 0.00 -0.54 1.22 -1.12 -0.81 0.00 0.00 175.30 174.05 3ks9 s SER 37 N -0.99 3.95 -0.03 -2.12 0.01 -1.26 -5.06 113.70 108.20 3ks9 s SER 37 Ca 0.60 2.39 -0.01 0.00 1.31 0.00 0.00 55.95 60.24 3ks9 s SER 37 Cb -0.34 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.33 3ks9 s SER 37 CO 0.43 -2.43 0.07 -0.69 0.41 0.00 0.00 173.24 171.03 3ks9 s VAL 38 N -2.00 -0.05 -0.21 3.43 1.01 -1.26 -4.59 120.40 116.72 3ks9 s VAL 38 Ca 0.75 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 3ks9 s VAL 38 Cb -0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3ks9 s VAL 38 CO 0.47 0.08 0.49 0.00 0.00 0.00 0.00 175.10 176.14 3ks9 s ALA 39 N 1.08 3.56 0.13 5.51 0.00 -0.62 -4.78 121.76 126.64 3ks9 s ALA 39 Ca -0.09 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.47 3ks9 s ALA 39 Cb -0.12 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3ks9 s ALA 39 CO -0.04 -0.48 -0.18 1.03 0.00 0.00 0.00 175.76 176.09 3ks9 s ARG 40 N 1.71 1.17 -0.12 0.00 0.52 -1.26 -0.84 118.95 120.13 3ks9 s ARG 40 Ca 0.22 -1.29 -0.06 0.00 -0.52 0.00 0.00 55.73 54.08 3ks9 s ARG 40 Cb -0.15 -1.27 0.05 0.00 0.52 0.00 0.00 34.95 34.10 3ks9 s ARG 40 CO 0.09 0.27 0.29 1.41 0.02 0.00 0.00 175.30 177.38 3ks9 s MET 41 N -2.45 0.24 0.37 3.54 -2.45 -0.96 -4.91 119.30 112.67 3ks9 s MET 41 Ca 0.11 0.62 -0.13 0.00 -1.25 0.00 0.00 55.69 55.04 3ks9 s MET 41 Cb -0.07 -0.08 -0.08 0.00 1.25 0.00 0.00 34.83 35.85 3ks9 s MET 41 CO 0.05 -0.18 0.76 0.34 1.05 0.00 0.00 175.02 177.04 3ks9 s ASP 42 N 1.44 6.65 0.05 1.11 2.15 -1.26 -0.81 116.67 125.99 3ks9 s ASP 42 Ca -0.08 1.22 -0.16 0.00 0.43 0.00 0.00 52.55 53.96 3ks9 s ASP 42 Cb -0.10 -2.35 0.05 0.00 -0.30 0.00 0.00 42.92 40.22 3ks9 s ASP 42 CO -0.10 -0.31 0.75 0.61 -0.17 0.00 0.00 175.17 175.95 3ks9 n GLY 43 N -0.83 0.60 0.33 2.66 0.00 -1.26 -4.50 105.19 102.18 3ks9 n GLY 43 Ca 0.03 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 3ks9 n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ks9 h ASP 44 N 1.27 1.07 -3.41 1.61 3.32 -1.68 -3.42 116.42 115.18 3ks9 h ASP 44 Ca -0.15 -0.22 -0.54 0.00 0.02 0.00 0.00 57.03 56.14 3ks9 h ASP 44 Cb 0.76 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 39.70 3ks9 h ASP 44 CO 0.22 1.01 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.23 3ks9 s VAL 45 N -5.35 1.26 -0.24 -1.35 1.01 -0.49 -4.99 120.40 110.25 3ks9 s VAL 45 Ca -0.12 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 3ks9 s VAL 45 Cb 0.15 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3ks9 s VAL 45 CO 0.84 0.38 0.14 -0.63 0.00 0.00 0.00 175.10 175.84 3ks9 s ILE 46 N 0.63 5.19 -0.26 2.22 -1.09 -1.26 0.12 121.20 126.76 3ks9 s ILE 46 Ca -0.15 0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 3ks9 s ILE 46 Cb -0.16 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 3ks9 s ILE 46 CO 0.04 0.35 0.15 -0.63 -1.23 0.00 0.00 174.94 173.63 3ks9 s ILE 47 N 1.07 5.10 0.55 2.92 -1.09 -0.13 -0.16 121.20 129.45 3ks9 s ILE 47 Ca 0.07 0.09 -0.15 0.00 -2.23 0.00 0.00 60.65 58.43 3ks9 s ILE 47 Cb -0.14 -3.40 -0.07 0.00 -1.58 0.00 0.00 42.46 37.28 3ks9 s ILE 47 CO 0.04 0.31 1.00 -0.83 -1.23 0.00 0.00 174.94 174.23 3ks9 s GLY 48 N 1.44 1.96 -0.04 6.18 0.00 0.26 -1.56 107.32 115.56 3ks9 s GLY 48 Ca 0.07 0.13 -0.14 0.00 0.00 0.00 0.00 44.72 44.78 3ks9 s GLY 48 CO 0.07 0.41 0.31 0.00 0.00 0.00 0.00 173.10 173.89 3ks9 s ALA 49 N -2.76 -0.78 -0.21 3.20 0.00 -0.59 -1.02 121.76 119.61 3ks9 s ALA 49 Ca 0.58 0.48 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3ks9 s ALA 49 Cb -0.11 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.96 3ks9 s ALA 49 CO 0.37 -0.23 -0.10 -0.51 0.00 0.00 0.00 175.76 175.30 3ks9 s LEU 50 N -0.91 2.39 0.22 0.00 1.43 -0.28 -0.15 118.68 121.38 3ks9 s LEU 50 Ca -0.10 -0.96 0.10 0.00 -1.03 0.00 0.00 54.13 52.15 3ks9 s LEU 50 Cb -0.04 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3ks9 s LEU 50 CO 0.03 -0.16 -0.19 -0.36 0.23 0.00 0.00 176.35 175.90 3ks9 s PHE 51 N 1.38 2.06 -1.30 0.29 0.08 -0.61 -4.33 117.98 115.55 3ks9 s PHE 51 Ca -0.02 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 3ks9 s PHE 51 Cb -0.17 -0.96 0.12 0.00 -0.57 0.00 0.00 43.02 41.44 3ks9 s PHE 51 CO -0.08 0.51 1.79 0.45 -0.10 0.00 0.00 175.22 177.80 3ks9 n SER 52 N -0.18 4.83 0.06 1.36 2.88 -1.08 -0.78 113.62 120.72 3ks9 n SER 52 Ca -0.09 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 3ks9 n SER 52 Cb 0.59 -1.61 0.31 0.00 -0.75 0.00 0.00 64.21 62.74 3ks9 n SER 52 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3ks9 h VAL 53 N 4.53 1.21 -2.54 2.46 2.07 -1.87 -3.20 116.25 118.91 3ks9 h VAL 53 Ca 0.43 -0.95 -0.56 0.00 0.82 0.00 0.00 66.70 66.44 3ks9 h VAL 53 Cb 0.76 1.20 -0.15 0.00 -1.52 0.00 0.00 31.29 31.59 3ks9 h VAL 53 CO 1.53 0.30 -0.76 -1.00 0.02 0.00 0.00 177.57 177.66 3ks9 s HIS 54 N -4.70 2.09 1.00 1.57 3.76 -1.26 -0.51 115.29 117.25 3ks9 s HIS 54 Ca -0.06 -0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 54.32 3ks9 s HIS 54 Cb 0.15 -0.94 0.19 0.00 1.11 0.00 0.00 32.58 33.09 3ks9 s HIS 54 CO 0.76 0.57 1.08 -1.01 -0.85 0.00 0.00 174.74 175.29 3ks9 s HIS 55 N -2.55 1.82 0.80 1.40 3.76 0.61 -4.04 115.29 117.09 3ks9 s HIS 55 Ca 0.26 1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 56.38 3ks9 s HIS 55 Cb -0.04 -3.18 0.08 0.00 1.11 0.00 0.00 32.58 30.54 3ks9 s HIS 55 CO 0.12 -3.04 1.11 1.14 -0.85 0.00 0.00 174.74 173.22 3ks9 s GLN 56 N -4.71 1.94 0.18 1.40 -2.07 -1.07 -0.97 119.66 114.36 3ks9 s GLN 56 Ca 0.66 1.33 -0.33 0.00 -1.82 0.00 0.00 55.36 55.19 3ks9 s GLN 56 Cb -0.21 -1.85 -0.14 0.00 -1.09 0.00 0.00 33.01 29.71 3ks9 s GLN 56 CO 0.60 -1.91 1.45 -2.30 -1.32 0.00 0.00 175.29 171.81 3ks9 n PRO 57 N -3.60 1.87 -1.67 9.60 -0.02 -1.26 -2.46 135.00 137.47 3ks9 n PRO 57 Ca 0.10 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 3ks9 n PRO 57 Cb 0.52 -2.36 0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3ks9 n PRO 57 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ks9 n PRO 58 N 2.70 1.00 -0.24 0.52 -0.02 -1.26 -4.70 135.00 132.99 3ks9 n PRO 58 Ca 0.15 0.39 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 3ks9 n PRO 58 Cb 0.28 -2.33 0.12 0.00 -0.02 0.00 0.00 33.50 31.54 3ks9 n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ks9 n ALA 59 N -1.81 0.20 0.16 3.55 0.00 -1.26 0.68 120.51 122.03 3ks9 n ALA 59 Ca 0.15 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.33 3ks9 n ALA 59 Cb 0.48 -0.47 0.24 0.00 0.00 0.00 0.00 19.45 19.70 3ks9 n ALA 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3ks9 h GLU 60 N 0.00 0.00 -0.01 0.00 9.09 -2.00 -3.19 114.58 118.48 3ks9 h GLU 60 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3ks9 h GLU 60 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3ks9 h GLU 60 CO -0.69 0.53 -0.03 1.63 0.05 0.00 0.00 179.01 180.50 3ks9 n LYS 61 N -3.88 1.30 0.09 1.06 4.76 0.21 -4.52 118.16 117.18 3ks9 n LYS 61 Ca -0.01 -0.57 -0.12 0.00 -2.87 0.00 0.00 58.31 54.73 3ks9 n LYS 61 Cb 0.54 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 3ks9 n LYS 61 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ks9 h VAL 62 N 1.39 0.77 -0.10 -0.18 2.07 -1.47 -2.40 116.25 116.33 3ks9 h VAL 62 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3ks9 h VAL 62 Cb 0.34 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3ks9 h VAL 62 CO 0.00 0.00 -0.18 -0.65 0.02 0.00 0.00 177.57 176.76 3ks9 h PRO 63 N -0.22 0.15 0.00 1.57 0.11 -1.86 -1.43 132.00 130.33 3ks9 h PRO 63 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3ks9 h PRO 63 Cb 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3ks9 h PRO 63 CO -0.04 0.33 0.00 0.39 -0.21 0.00 0.00 178.00 178.47 3ks9 n GLU 64 N -4.26 0.07 -3.74 1.05 4.71 -1.15 -4.94 120.64 112.38 3ks9 n GLU 64 Ca -0.01 0.07 -0.26 0.00 -0.01 0.00 0.00 57.16 56.94 3ks9 n GLU 64 Cb 0.28 -1.59 0.05 0.00 -1.01 0.00 0.00 31.44 29.18 3ks9 n GLU 64 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3ks9 n ARG 65 N -1.71 -6.44 -3.44 3.49 1.74 -0.54 -4.99 116.66 104.78 3ks9 n ARG 65 Ca 0.07 0.70 -0.38 0.00 -0.77 0.00 0.00 57.85 57.47 3ks9 n ARG 65 Cb 0.36 -5.63 -0.08 0.00 -1.02 0.00 0.00 32.46 26.10 3ks9 n ARG 65 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ks9 s LYS 66 N -6.34 4.17 0.76 5.56 2.20 -1.07 -5.00 119.74 120.02 3ks9 s LYS 66 Ca 0.51 0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 56.18 3ks9 s LYS 66 Cb -0.24 -3.52 0.10 0.00 -1.51 0.00 0.00 37.83 32.66 3ks9 s LYS 66 CO 0.78 0.00 1.07 0.00 -0.36 0.00 0.00 175.35 176.85 3ks9 n GLY 68 N -3.07 0.48 3.81 0.00 0.00 -0.14 -4.74 105.19 101.53 3ks9 n GLY 68 Ca 0.11 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 3ks9 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ks9 s GLU 69 N 0.62 3.55 0.61 1.61 -1.05 -1.26 -4.28 118.70 118.50 3ks9 s GLU 69 Ca 0.00 1.14 -0.19 0.00 -0.15 0.00 0.00 54.97 55.76 3ks9 s GLU 69 Cb 0.00 -2.07 -0.02 0.00 -0.44 0.00 0.00 34.13 31.60 3ks9 s GLU 69 CO 0.00 -0.61 1.31 1.51 0.95 0.00 0.00 175.26 178.42 3ks9 n ILE 70 N -1.81 4.57 -5.01 1.83 3.06 -1.26 -0.28 119.36 120.45 3ks9 n ILE 70 Ca 0.08 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.56 3ks9 n ILE 70 Cb 0.53 -1.54 -0.16 0.00 0.54 0.00 0.00 39.64 39.01 3ks9 n ILE 70 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3ks9 s ARG 71 N -3.19 1.82 -0.10 9.51 0.52 0.33 -4.80 118.95 123.04 3ks9 s ARG 71 Ca 0.79 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 3ks9 s ARG 71 Cb -0.39 -1.68 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 3ks9 s ARG 71 CO 0.43 0.39 -0.10 1.49 0.02 0.00 0.00 175.30 177.53 3ks9 h GLU 72 N 5.83 0.00 -0.52 3.54 4.81 -1.91 -0.71 114.58 125.63 3ks9 h GLU 72 Ca -0.37 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3ks9 h GLU 72 Cb 1.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3ks9 h GLU 72 CO 0.48 0.00 0.08 1.96 -0.73 0.00 0.00 179.01 180.80 3ks9 h GLN 73 N -0.77 0.86 -0.01 1.92 7.50 -1.96 0.19 115.11 122.84 3ks9 h GLN 73 Ca 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 58.92 3ks9 h GLN 73 Cb 0.30 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.73 3ks9 h GLN 73 CO 0.00 0.84 -0.27 0.66 -1.50 0.00 0.00 178.83 178.56 3ks9 n TYR 74 N -4.39 0.00 0.00 2.96 4.02 -1.26 -4.37 117.16 114.11 3ks9 n TYR 74 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3ks9 n TYR 74 Cb 0.26 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 3ks9 n TYR 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ks9 n GLY 75 N 1.36 0.53 0.25 2.72 0.00 -1.07 -2.62 105.19 106.36 3ks9 n GLY 75 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3ks9 n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ks9 h ILE 76 N 0.00 0.90 -0.97 -0.61 1.08 -0.48 -0.98 117.51 116.45 3ks9 h ILE 76 Ca 0.00 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3ks9 h ILE 76 Cb 0.00 0.27 -0.06 0.00 -3.07 0.00 0.00 36.82 33.96 3ks9 h ILE 76 CO 0.00 0.10 0.63 1.56 -0.69 0.00 0.00 178.15 179.76 3ks9 h GLN 77 N 0.57 1.14 -0.16 2.37 4.20 -0.90 -1.34 115.11 120.99 3ks9 h GLN 77 Ca 0.30 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.82 3ks9 h GLN 77 Cb 0.26 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3ks9 h GLN 77 CO -0.22 0.76 -0.35 0.00 -0.67 0.00 0.00 178.83 178.34 3ks9 h ARG 78 N 1.18 0.52 -0.51 1.46 3.08 -1.44 0.15 114.38 118.81 3ks9 h ARG 78 Ca 0.40 -0.35 0.10 0.00 0.07 0.00 0.00 59.98 60.21 3ks9 h ARG 78 Cb 0.10 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 3ks9 h ARG 78 CO -0.14 0.96 -0.02 0.28 -1.07 0.00 0.00 179.97 179.97 3ks9 h VAL 79 N 0.15 0.58 -0.44 2.04 2.07 -1.04 -0.56 116.25 119.05 3ks9 h VAL 79 Ca -0.00 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3ks9 h VAL 79 Cb 0.96 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3ks9 h VAL 79 CO 0.08 0.02 -0.19 -0.33 0.02 0.00 0.00 177.57 177.16 3ks9 h GLU 80 N 0.09 0.87 -0.84 1.57 4.39 -1.11 -2.04 114.58 117.51 3ks9 h GLU 80 Ca 0.26 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3ks9 h GLU 80 Cb 0.39 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3ks9 h GLU 80 CO -0.44 0.99 0.40 0.00 -1.16 0.00 0.00 179.01 178.80 3ks9 h ALA 81 N 1.01 1.12 -0.21 3.43 0.00 -0.20 -0.55 119.26 123.87 3ks9 h ALA 81 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ks9 h ALA 81 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ks9 h ALA 81 CO 0.06 0.66 0.10 1.98 0.00 0.00 0.00 179.25 182.05 3ks9 h MET 82 N 1.20 0.31 -0.10 0.00 1.85 -0.81 0.10 114.93 117.48 3ks9 h MET 82 Ca 0.29 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.37 3ks9 h MET 82 Cb 0.12 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.06 3ks9 h MET 82 CO -0.04 0.33 -0.12 0.74 -0.40 0.00 0.00 176.91 177.42 3ks9 h PHE 83 N 0.21 -0.31 -0.42 1.39 0.05 -1.17 -1.29 116.94 115.40 3ks9 h PHE 83 Ca 0.07 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.80 3ks9 h PHE 83 Cb 0.12 0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 3ks9 h PHE 83 CO -0.02 -0.19 -0.06 1.25 -0.18 0.00 0.00 178.31 179.11 3ks9 h HIS 84 N -0.16 0.78 -0.37 -0.55 2.76 -0.91 -1.82 115.15 114.88 3ks9 h HIS 84 Ca 0.08 -0.12 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 3ks9 h HIS 84 Cb 0.28 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3ks9 h HIS 84 CO -0.23 0.77 -0.16 1.15 -1.30 0.00 0.00 177.93 178.16 3ks9 h THR 85 N 0.67 1.28 -0.86 6.26 2.02 -0.63 -1.64 112.91 120.01 3ks9 h THR 85 Ca 0.12 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 3ks9 h THR 85 Cb 0.51 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3ks9 h THR 85 CO 0.03 0.42 0.53 -0.07 0.37 0.00 0.00 175.52 176.80 3ks9 h LEU 86 N 0.56 1.02 -0.91 2.58 3.38 -1.09 0.59 115.31 121.44 3ks9 h LEU 86 Ca 0.09 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ks9 h LEU 86 Cb 0.69 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3ks9 h LEU 86 CO 0.05 0.77 0.59 0.44 0.09 0.00 0.00 178.44 180.38 3ks9 h ASP 87 N 1.17 1.05 -0.41 -0.43 3.32 -1.14 0.21 116.42 120.21 3ks9 h ASP 87 Ca 0.31 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3ks9 h ASP 87 Cb -0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 3ks9 h ASP 87 CO -0.06 0.77 -0.04 0.11 -1.72 0.00 0.00 179.24 178.31 3ks9 h LYS 88 N 1.23 0.74 -0.58 3.56 1.57 -0.78 -0.98 116.57 121.33 3ks9 h LYS 88 Ca 0.33 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3ks9 h LYS 88 Cb -0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3ks9 h LYS 88 CO -0.07 0.85 0.18 0.82 -0.57 0.00 0.00 179.45 180.65 3ks9 h ILE 89 N 0.57 1.24 -0.49 1.86 2.04 -0.54 -2.53 117.51 119.65 3ks9 h ILE 89 Ca 0.11 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3ks9 h ILE 89 Cb 0.53 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3ks9 h ILE 89 CO 0.03 0.31 0.06 0.78 0.00 0.00 0.00 178.15 179.33 3ks9 h ASN 90 N 0.83 0.74 0.51 1.72 2.35 -0.78 -1.90 115.58 119.05 3ks9 h ASN 90 Ca 0.19 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3ks9 h ASN 90 Cb 0.29 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3ks9 h ASN 90 CO -0.01 0.77 0.00 0.00 -1.65 0.00 0.00 177.43 176.54 3ks9 n ALA 91 N -2.47 2.45 -2.61 -0.83 0.00 -0.39 -4.81 120.51 111.85 3ks9 n ALA 91 Ca 0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 3ks9 n ALA 91 Cb 0.26 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 3ks9 n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ks9 s ASP 92 N -2.53 6.64 0.40 0.00 -1.08 -0.72 -4.95 116.67 114.43 3ks9 s ASP 92 Ca 0.29 0.61 0.28 0.00 -0.52 0.00 0.00 52.55 53.21 3ks9 s ASP 92 Cb 0.20 -2.40 1.08 0.00 -1.46 0.00 0.00 42.92 40.34 3ks9 s ASP 92 CO 0.44 -0.61 1.83 1.55 0.52 0.00 0.00 175.17 178.89 3ks9 h PRO 93 N 8.16 0.00 0.02 4.34 0.13 -1.87 -3.29 132.00 139.49 3ks9 h PRO 93 Ca -0.25 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.57 3ks9 h PRO 93 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 3ks9 h PRO 93 CO 0.88 0.00 -1.80 0.28 -0.23 0.00 0.00 178.00 177.12 3ks9 n VAL 94 N -2.69 1.63 -4.06 1.56 0.31 -1.26 -4.31 118.33 109.51 3ks9 n VAL 94 Ca 0.02 -0.77 -0.35 0.00 -0.01 0.00 0.00 64.34 63.23 3ks9 n VAL 94 Cb 0.31 -1.13 -0.12 0.00 -0.91 0.00 0.00 33.84 31.99 3ks9 n VAL 94 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3ks9 s LEU 95 N -6.22 3.33 -1.19 7.52 2.96 -1.24 -4.59 118.68 119.25 3ks9 s LEU 95 Ca -0.08 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 3ks9 s LEU 95 Cb 0.08 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3ks9 s LEU 95 CO 0.81 0.07 0.72 0.18 -1.32 0.00 0.00 176.35 176.81 3ks9 n LEU 96 N 4.19 -1.91 -0.11 -0.68 4.77 -1.26 -4.74 117.00 117.25 3ks9 n LEU 96 Ca -0.17 -1.12 0.11 0.00 -0.03 0.00 0.00 56.01 54.81 3ks9 n LEU 96 Cb 0.52 -2.11 0.47 0.00 -2.33 0.00 0.00 43.42 39.97 3ks9 n LEU 96 CO 0.32 0.58 1.20 1.55 -1.33 0.00 0.00 177.39 179.71 3ks9 h PRO 97 N -2.14 0.47 0.00 3.23 0.13 -1.79 -3.11 132.00 128.79 3ks9 h PRO 97 Ca -0.68 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 3ks9 h PRO 97 Cb 1.38 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3ks9 h PRO 97 CO 0.51 0.31 0.00 0.09 -0.23 0.00 0.00 178.00 178.68 3ks9 n ASN 98 N -4.48 1.95 -3.98 1.44 4.13 -1.26 -4.96 115.26 108.09 3ks9 n ASN 98 Ca 0.11 -1.95 -0.29 0.00 1.68 0.00 0.00 54.58 54.12 3ks9 n ASN 98 Cb 0.36 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.44 3ks9 n ASN 98 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ks9 s ILE 99 N -0.95 1.44 0.20 2.41 1.01 -1.18 -4.44 121.20 119.69 3ks9 s ILE 99 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 3ks9 s ILE 99 Cb 0.00 -1.41 -0.07 0.00 0.01 0.00 0.00 42.46 40.98 3ks9 s ILE 99 CO 0.00 0.37 0.60 0.42 0.00 0.00 0.00 174.94 176.34 3ks9 s THR 100 N 1.53 4.81 -0.14 2.92 -4.23 -1.26 -4.84 115.64 114.42 3ks9 s THR 100 Ca 0.04 0.83 -0.07 0.00 -1.18 0.00 0.00 61.69 61.31 3ks9 s THR 100 Cb -0.13 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 3ks9 s THR 100 CO -0.10 0.10 0.09 -0.76 -0.54 0.00 0.00 174.62 173.40 3ks9 s LEU 101 N -2.33 4.02 0.00 4.79 1.43 -1.26 -1.40 118.68 123.93 3ks9 s LEU 101 Ca 0.43 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 3ks9 s LEU 101 Cb -0.14 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.12 3ks9 s LEU 101 CO 0.20 0.30 0.19 0.61 0.23 0.00 0.00 176.35 177.87 3ks9 n GLY 102 N 2.72 3.18 3.04 -3.19 0.00 0.33 -4.59 105.19 106.70 3ks9 n GLY 102 Ca -0.18 -2.31 -0.10 0.00 0.00 0.00 0.00 46.02 43.43 3ks9 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks9 s SER 103 N -3.57 0.17 -0.29 1.61 1.04 0.01 -0.96 113.70 111.70 3ks9 s SER 103 Ca 0.14 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 3ks9 s SER 103 Cb -0.01 0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.36 3ks9 s SER 103 CO 0.09 -0.36 0.10 -0.70 0.98 0.00 0.00 173.24 173.36 3ks9 s GLU 104 N -1.66 0.51 -0.26 4.02 2.12 -0.60 -2.27 118.70 120.56 3ks9 s GLU 104 Ca -0.13 -0.82 -0.08 0.00 0.36 0.00 0.00 54.97 54.29 3ks9 s GLU 104 Cb -0.07 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.59 3ks9 s GLU 104 CO -0.01 -0.97 0.10 0.42 -0.54 0.00 0.00 175.26 174.26 3ks9 s ILE 105 N 1.81 4.50 0.28 -3.70 1.01 -0.02 -1.54 121.20 123.55 3ks9 s ILE 105 Ca 0.09 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.70 3ks9 s ILE 105 Cb -0.17 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3ks9 s ILE 105 CO -0.28 0.30 -0.08 -0.13 0.00 0.00 0.00 174.94 174.75 3ks9 s ARG 106 N 1.64 2.01 -0.20 2.79 0.52 0.79 -1.59 118.95 124.91 3ks9 s ARG 106 Ca 0.06 -1.61 -0.15 0.00 -0.52 0.00 0.00 55.73 53.51 3ks9 s ARG 106 Cb -0.15 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 3ks9 s ARG 106 CO 0.05 0.31 0.36 0.34 0.02 0.00 0.00 175.30 176.38 3ks9 s ASP 107 N -3.62 6.41 0.21 0.23 3.68 -1.26 -1.57 116.67 120.75 3ks9 s ASP 107 Ca 0.31 0.48 0.23 0.00 2.13 0.00 0.00 52.55 55.70 3ks9 s ASP 107 Cb -0.05 -2.21 0.13 0.00 -1.45 0.00 0.00 42.92 39.34 3ks9 s ASP 107 CO 0.18 -0.03 1.19 0.77 0.13 0.00 0.00 175.17 177.41 3ks9 h SER 108 N 7.25 0.00 -5.09 -0.34 4.64 -1.28 -3.43 113.55 115.30 3ks9 h SER 108 Ca -0.37 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.69 3ks9 h SER 108 Cb 1.16 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 3ks9 h SER 108 CO 0.72 0.03 -0.29 0.00 -0.87 0.00 0.00 176.83 176.41 3ks9 n TRP 110 N -3.18 -1.67 -3.73 0.00 -0.00 -1.26 -2.58 117.44 105.02 3ks9 n TRP 110 Ca -0.02 0.77 -0.12 0.00 -0.00 0.00 0.00 57.50 58.13 3ks9 n TRP 110 Cb 0.53 -3.03 -0.12 0.00 -0.00 0.00 0.00 31.31 28.68 3ks9 n TRP 110 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 3ks9 s HIS 111 N -3.47 -0.36 0.24 5.87 2.46 -0.84 -4.68 115.29 114.51 3ks9 s HIS 111 Ca 0.57 0.84 -0.06 0.00 0.47 0.00 0.00 55.06 56.88 3ks9 s HIS 111 Cb -0.31 0.09 0.34 0.00 -0.13 0.00 0.00 32.58 32.57 3ks9 s HIS 111 CO 0.93 -0.23 1.82 0.77 -2.47 0.00 0.00 174.74 175.56 3ks9 h SER 112 N 6.90 0.70 -0.31 9.88 0.02 -1.92 -0.75 113.55 128.07 3ks9 h SER 112 Ca -0.37 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3ks9 h SER 112 Cb 1.17 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3ks9 h SER 112 CO 0.36 0.43 0.14 0.28 -1.14 0.00 0.00 176.83 176.89 3ks9 h SER 113 N 0.83 0.42 -0.25 3.07 0.02 -1.97 -0.70 113.55 114.97 3ks9 h SER 113 Ca 0.37 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 3ks9 h SER 113 Cb 0.26 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ks9 h SER 113 CO -0.21 0.45 -0.11 0.58 -1.14 0.00 0.00 176.83 176.41 3ks9 h VAL 114 N 0.36 1.30 -0.97 2.27 2.07 -1.73 -1.43 116.25 118.12 3ks9 h VAL 114 Ca 0.11 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3ks9 h VAL 114 Cb 0.15 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3ks9 h VAL 114 CO -0.01 0.36 0.63 0.00 0.02 0.00 0.00 177.57 178.58 3ks9 h ALA 115 N 0.73 1.40 -0.13 1.67 0.00 -1.07 0.15 119.26 122.01 3ks9 h ALA 115 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ks9 h ALA 115 Cb 0.60 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ks9 h ALA 115 CO 0.03 0.49 -0.10 1.25 0.00 0.00 0.00 179.25 180.92 3ks9 h LEU 116 N 1.19 0.32 -0.58 0.00 5.85 -1.04 0.24 115.31 121.30 3ks9 h LEU 116 Ca 0.39 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.77 3ks9 h LEU 116 Cb 0.06 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 3ks9 h LEU 116 CO -0.13 0.71 0.08 -0.08 -0.34 0.00 0.00 178.44 178.68 3ks9 h GLU 117 N -0.06 0.20 -0.02 1.25 4.81 -0.72 -0.92 114.58 119.11 3ks9 h GLU 117 Ca 0.03 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3ks9 h GLU 117 Cb 0.61 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3ks9 h GLU 117 CO 0.03 0.13 -0.54 1.96 -0.73 0.00 0.00 179.01 179.86 3ks9 h GLN 118 N 0.20 0.06 -0.44 1.92 1.08 -0.61 -2.70 115.11 114.62 3ks9 h GLN 118 Ca 0.31 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.33 3ks9 h GLN 118 Cb 0.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3ks9 h GLN 118 CO -0.43 0.58 -0.26 0.77 -0.95 0.00 0.00 178.83 178.54 3ks9 h SER 119 N 0.05 0.97 -0.90 1.46 0.02 -0.00 -1.78 113.55 113.37 3ks9 h SER 119 Ca -0.00 -0.39 0.06 0.00 -0.84 0.00 0.00 61.79 60.62 3ks9 h SER 119 Cb 0.97 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 3ks9 h SER 119 CO 0.07 1.17 0.57 0.40 -1.14 0.00 0.00 176.83 177.91 3ks9 h ILE 120 N 0.80 1.08 -0.61 3.27 2.04 -1.12 -1.46 117.51 121.51 3ks9 h ILE 120 Ca 0.10 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3ks9 h ILE 120 Cb 0.83 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3ks9 h ILE 120 CO 0.07 0.19 0.40 -0.33 0.00 0.00 0.00 178.15 178.49 3ks9 h GLU 121 N 1.06 0.60 -0.99 2.37 4.39 -1.01 0.21 114.58 121.21 3ks9 h GLU 121 Ca 0.39 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.07 3ks9 h GLU 121 Cb 0.13 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 3ks9 h GLU 121 CO -0.16 0.40 0.65 0.74 -1.16 0.00 0.00 179.01 179.47 3ks9 h PHE 122 N 0.62 1.22 -0.24 4.33 0.04 -0.79 -3.08 116.94 119.04 3ks9 h PHE 122 Ca 0.26 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.06 3ks9 h PHE 122 Cb 0.24 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 37.98 3ks9 h PHE 122 CO -0.00 0.73 0.00 0.44 -0.60 0.00 0.00 178.31 178.88 3ks9 n ILE 123 N -4.43 0.34 0.22 -0.55 -6.64 -0.53 -4.59 119.36 103.19 3ks9 n ILE 123 Ca 0.12 -0.67 -0.15 0.00 -1.77 0.00 0.00 62.75 60.28 3ks9 n ILE 123 Cb 0.06 1.12 -0.08 0.00 -1.44 0.00 0.00 39.64 39.30 3ks9 n ILE 123 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 3ks9 h ARG 124 N 4.01 -0.49 -0.49 6.28 2.43 -0.91 -2.93 114.38 122.27 3ks9 h ARG 124 Ca 0.00 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3ks9 h ARG 124 Cb 0.89 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 3ks9 h ARG 124 CO 0.00 -0.31 0.20 -0.44 -1.51 0.00 0.00 179.97 177.91 3ks9 h ASP 125 N -0.55 0.24 0.01 -3.80 3.45 -1.84 -0.54 116.42 113.38 3ks9 h ASP 125 Ca -0.05 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ks9 h ASP 125 Cb 0.42 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 3ks9 h ASP 125 CO 0.09 0.17 0.00 -1.20 -1.57 0.00 0.00 179.24 176.72 3ks9 n SER 126 N -4.97 0.00 0.00 6.45 7.64 -1.12 -5.18 113.62 116.44 3ks9 n SER 126 Ca 0.05 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3ks9 n SER 126 Cb 0.17 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3ks9 n SER 126 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ks9 n LEU 127 N -1.11 0.10 -4.68 -3.43 7.94 -0.22 -5.14 117.00 110.46 3ks9 n LEU 127 Ca 0.01 -0.16 -0.66 0.00 -1.11 0.00 0.00 56.01 54.09 3ks9 n LEU 127 Cb 0.01 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.86 3ks9 n LEU 127 CO 0.01 0.03 1.24 0.29 -1.11 0.00 0.00 177.39 177.84 3ks9 n LYS 154 N -0.11 0.07 -2.23 1.96 5.02 -1.26 -5.09 118.16 116.52 3ks9 n LYS 154 Ca 0.00 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 3ks9 n LYS 154 Cb 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3ks9 n LYS 154 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ks9 s PRO 155 N 3.43 3.40 0.28 1.97 0.04 -1.26 -4.98 135.00 137.88 3ks9 s PRO 155 Ca 1.07 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 63.50 3ks9 s PRO 155 Cb -1.47 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 3ks9 s PRO 155 CO 0.79 -0.82 1.00 0.96 0.04 0.00 0.00 177.00 178.96 3ks9 s ILE 156 N -1.69 3.90 0.10 0.56 -4.36 -1.26 -4.50 121.20 113.94 3ks9 s ILE 156 Ca 0.71 1.81 0.01 0.00 -0.26 0.00 0.00 60.65 62.93 3ks9 s ILE 156 Cb -0.26 -4.12 -0.24 0.00 1.25 0.00 0.00 42.46 39.09 3ks9 s ILE 156 CO 0.30 0.36 1.22 0.00 0.24 0.00 0.00 174.94 177.05 3ks9 h ALA 157 N 3.76 0.23 -2.48 2.27 0.00 -0.94 -3.49 119.26 118.62 3ks9 h ALA 157 Ca -0.46 -0.89 0.15 0.00 0.00 0.00 0.00 54.91 53.72 3ks9 h ALA 157 Cb 1.20 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3ks9 h ALA 157 CO 0.67 1.09 0.48 0.20 0.00 0.00 0.00 179.25 181.69 3ks9 s GLY 158 N -4.67 -0.08 -0.04 0.00 0.00 -1.26 -4.21 107.32 97.06 3ks9 s GLY 158 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.65 3ks9 s GLY 158 CO 0.85 0.63 -0.17 0.14 0.00 0.00 0.00 173.10 174.55 3ks9 s VAL 159 N -2.92 1.40 -0.18 1.40 1.01 -0.38 -0.57 120.40 120.16 3ks9 s VAL 159 Ca 0.15 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3ks9 s VAL 159 Cb -0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3ks9 s VAL 159 CO 0.04 0.40 0.37 -0.63 0.00 0.00 0.00 175.10 175.29 3ks9 s ILE 160 N 0.04 5.24 0.00 2.22 -1.09 -0.19 -0.62 121.20 126.79 3ks9 s ILE 160 Ca -0.04 0.68 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 3ks9 s ILE 160 Cb -0.11 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 3ks9 s ILE 160 CO 0.02 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 3ks9 n GLY 161 N 3.67 -1.39 2.26 6.18 0.00 -0.65 -1.13 105.19 114.13 3ks9 n GLY 161 Ca -0.09 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 3ks9 n GLY 161 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ks9 n PRO 162 N 0.00 -1.31 -0.02 1.61 -0.04 -1.26 -4.53 135.00 129.45 3ks9 n PRO 162 Ca 0.00 -1.18 -0.15 0.00 -0.04 0.00 0.00 63.50 62.12 3ks9 n PRO 162 Cb 0.00 -0.89 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 3ks9 n PRO 162 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3ks9 h GLY 163 N -1.33 0.34 -4.50 0.55 0.00 -1.95 -3.43 103.07 92.74 3ks9 h GLY 163 Ca -0.26 -0.52 -0.59 0.00 0.00 0.00 0.00 47.33 45.96 3ks9 h GLY 163 CO 0.18 0.46 -0.39 -1.35 0.00 0.00 0.00 176.54 175.45 3ks9 s SER 164 N -6.43 6.44 0.18 0.19 1.04 -1.26 -2.88 113.70 110.97 3ks9 s SER 164 Ca -0.14 0.46 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 3ks9 s SER 164 Cb 0.03 -2.04 0.08 0.00 0.10 0.00 0.00 66.02 64.19 3ks9 s SER 164 CO 0.77 0.09 1.75 0.28 0.98 0.00 0.00 173.24 177.11 3ks9 h SER 165 N 2.90 0.83 -0.68 7.02 0.02 -1.90 0.46 113.55 122.19 3ks9 h SER 165 Ca -0.46 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.29 3ks9 h SER 165 Cb 1.16 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 3ks9 h SER 165 CO 0.74 0.75 0.25 0.77 -1.14 0.00 0.00 176.83 178.20 3ks9 h SER 166 N 0.85 0.96 -0.19 3.07 4.64 -2.00 -1.44 113.55 119.44 3ks9 h SER 166 Ca 0.21 -0.19 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 3ks9 h SER 166 Cb 0.17 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3ks9 h SER 166 CO -0.02 0.89 -0.56 0.58 -0.87 0.00 0.00 176.83 176.85 3ks9 h VAL 167 N 0.98 1.29 -0.71 0.95 2.07 -1.94 -2.95 116.25 115.94 3ks9 h VAL 167 Ca 0.22 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 3ks9 h VAL 167 Cb 0.25 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3ks9 h VAL 167 CO -0.01 0.57 0.43 0.00 0.02 0.00 0.00 177.57 178.58 3ks9 h ALA 168 N 0.76 1.44 -0.23 1.67 0.00 -0.64 -1.70 119.26 120.56 3ks9 h ALA 168 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ks9 h ALA 168 Cb 1.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3ks9 h ALA 168 CO 0.12 0.50 0.07 0.82 0.00 0.00 0.00 179.25 180.76 3ks9 h ILE 169 N 0.97 1.19 -0.42 0.00 2.04 -1.19 -0.21 117.51 119.88 3ks9 h ILE 169 Ca 0.26 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.57 3ks9 h ILE 169 Cb -0.06 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3ks9 h ILE 169 CO -0.05 0.19 0.14 1.56 0.00 0.00 0.00 178.15 180.00 3ks9 h GLN 170 N 0.21 0.29 -0.46 2.37 1.08 -1.29 -1.26 115.11 116.06 3ks9 h GLN 170 Ca 0.08 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3ks9 h GLN 170 Cb 0.23 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3ks9 h GLN 170 CO -0.00 0.19 0.15 0.28 -0.95 0.00 0.00 178.83 178.50 3ks9 h VAL 171 N 0.30 1.22 -0.85 -0.54 2.07 -1.16 -3.05 116.25 114.24 3ks9 h VAL 171 Ca 0.20 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3ks9 h VAL 171 Cb 0.20 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3ks9 h VAL 171 CO -0.21 0.26 0.49 -0.61 0.02 0.00 0.00 177.57 177.53 3ks9 h GLN 172 N 0.60 1.16 -0.19 1.57 5.75 -0.69 0.13 115.11 123.46 3ks9 h GLN 172 Ca 0.15 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3ks9 h GLN 172 Cb 0.25 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3ks9 h GLN 172 CO -0.01 0.83 0.11 -0.91 -2.65 0.00 0.00 178.83 176.20 3ks9 h ASN 173 N 1.18 0.22 0.00 -0.69 -0.26 -1.13 -1.13 115.58 113.76 3ks9 h ASN 173 Ca 0.30 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.98 3ks9 h ASN 173 Cb -0.02 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 3ks9 h ASN 173 CO -0.05 0.17 -0.32 0.25 -1.06 0.00 0.00 177.43 176.42 3ks9 h LEU 174 N 0.25 0.00 -1.30 1.61 5.85 -1.26 -3.39 115.31 117.08 3ks9 h LEU 174 Ca 0.07 -0.68 0.07 0.00 0.84 0.00 0.00 57.88 58.18 3ks9 h LEU 174 Cb -0.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3ks9 h LEU 174 CO -0.01 1.03 0.52 -0.07 -0.34 0.00 0.00 178.44 179.56 3ks9 h LEU 175 N -1.00 0.74 -1.74 2.25 3.38 -0.56 -1.45 115.31 116.93 3ks9 h LEU 175 Ca -0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ks9 h LEU 175 Cb 0.90 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ks9 h LEU 175 CO -0.05 0.47 -0.13 0.06 0.09 0.00 0.00 178.44 178.88 3ks9 h GLN 176 N 0.84 0.00 0.00 1.13 3.07 -1.41 -1.31 115.11 117.43 3ks9 h GLN 176 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.06 3ks9 h GLN 176 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.83 3ks9 h GLN 176 CO -0.12 0.13 -0.14 -0.07 0.09 0.00 0.00 178.83 178.72 3ks9 h LEU 177 N 0.00 0.00 -3.05 0.06 3.38 -1.45 -2.69 115.31 111.57 3ks9 h LEU 177 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ks9 h LEU 177 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ks9 h LEU 177 CO 0.02 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.17 3ks9 n PHE 178 N -3.36 0.83 -3.91 1.13 3.01 -0.53 -4.99 117.46 109.64 3ks9 n PHE 178 Ca -0.00 -0.64 -0.29 0.00 1.01 0.00 0.00 57.45 57.53 3ks9 n PHE 178 Cb 0.34 -0.16 0.02 0.00 -0.01 0.00 0.00 39.48 39.67 3ks9 n PHE 178 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3ks9 n ASP 179 N 0.35 -3.64 -4.44 4.37 8.00 -1.01 -4.92 116.55 115.27 3ks9 n ASP 179 Ca 0.18 -0.83 -0.39 0.00 0.71 0.00 0.00 54.79 54.46 3ks9 n ASP 179 Cb 0.67 -3.75 -0.11 0.00 -0.02 0.00 0.00 41.12 37.90 3ks9 n ASP 179 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ks9 s ILE 180 N -3.42 4.65 0.39 0.53 1.01 -0.96 -4.05 121.20 119.34 3ks9 s ILE 180 Ca 0.50 -0.48 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 3ks9 s ILE 180 Cb -0.25 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 3ks9 s ILE 180 CO 0.84 0.01 1.30 -2.84 0.00 0.00 0.00 174.94 174.25 3ks9 s PRO 181 N 1.61 4.07 -0.09 2.79 0.02 -1.26 -4.52 135.00 137.62 3ks9 s PRO 181 Ca 0.04 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.25 3ks9 s PRO 181 Cb -0.17 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.52 3ks9 s PRO 181 CO 0.07 -0.41 -0.17 -1.14 -0.33 0.00 0.00 177.00 175.01 3ks9 s GLN 182 N -2.13 2.34 -0.22 5.54 0.74 0.86 -1.24 119.66 125.55 3ks9 s GLN 182 Ca 0.55 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 55.34 3ks9 s GLN 182 Cb -0.38 -1.87 0.03 0.00 1.10 0.00 0.00 33.01 31.89 3ks9 s GLN 182 CO 0.50 0.05 -0.15 0.42 -0.55 0.00 0.00 175.29 175.56 3ks9 s ILE 183 N 0.65 2.24 0.24 -2.34 1.01 0.21 -0.74 121.20 122.47 3ks9 s ILE 183 Ca -0.13 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.29 3ks9 s ILE 183 Cb -0.16 -2.09 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 3ks9 s ILE 183 CO 0.04 0.31 0.51 0.00 0.00 0.00 0.00 174.94 175.80 3ks9 s ALA 184 N 1.24 3.64 -0.19 9.38 0.00 -0.14 -1.64 121.76 134.05 3ks9 s ALA 184 Ca -0.00 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.53 3ks9 s ALA 184 Cb -0.16 -2.30 -0.07 0.00 0.00 0.00 0.00 23.12 20.59 3ks9 s ALA 184 CO -0.09 0.41 0.22 2.48 0.00 0.00 0.00 175.76 178.77 3ks9 n TYR 185 N -0.50 0.00 -0.84 0.00 0.18 -1.26 -1.94 117.16 112.79 3ks9 n TYR 185 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 3ks9 n TYR 185 Cb 0.53 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.44 3ks9 n TYR 185 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3ks9 n SER 186 N -1.33 0.00 -4.59 9.48 3.41 -1.26 -4.53 113.62 114.80 3ks9 n SER 186 Ca 0.00 -0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 57.50 3ks9 n SER 186 Cb 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3ks9 n SER 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ks9 s ALA 187 N 0.00 3.16 -1.68 7.33 0.00 -1.14 -4.82 121.76 124.61 3ks9 s ALA 187 Ca 0.00 -0.58 0.14 0.00 0.00 0.00 0.00 51.96 51.51 3ks9 s ALA 187 Cb 0.00 -3.84 0.13 0.00 0.00 0.00 0.00 23.12 19.41 3ks9 s ALA 187 CO 0.00 -2.24 0.97 0.25 0.00 0.00 0.00 175.76 174.74 3ks9 n THR 188 N 6.73 0.08 -1.75 0.00 -2.24 -1.26 -4.90 114.28 110.94 3ks9 n THR 188 Ca 0.10 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3ks9 n THR 188 Cb 0.49 1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3ks9 n THR 188 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ks9 n SER 189 N 0.78 3.49 0.20 3.42 2.88 -1.26 -1.27 113.62 121.85 3ks9 n SER 189 Ca 0.09 1.22 0.04 0.00 -1.33 0.00 0.00 58.87 58.89 3ks9 n SER 189 Cb 0.35 -1.58 0.42 0.00 -0.75 0.00 0.00 64.21 62.66 3ks9 n SER 189 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ks9 h ILE 190 N 2.83 1.15 -0.47 2.46 2.04 -1.95 -3.08 117.51 120.49 3ks9 h ILE 190 Ca -0.49 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3ks9 h ILE 190 Cb 1.25 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 3ks9 h ILE 190 CO 0.64 0.30 0.24 0.44 0.00 0.00 0.00 178.15 179.78 3ks9 h ASP 191 N 0.00 0.57 0.45 1.72 5.19 -1.97 -2.57 116.42 119.81 3ks9 h ASP 191 Ca -0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3ks9 h ASP 191 Cb 0.58 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3ks9 h ASP 191 CO 0.04 0.47 0.00 0.18 -3.12 0.00 0.00 179.24 176.82 3ks9 n LEU 192 N -4.41 0.07 0.00 1.55 4.77 -1.16 -1.73 117.00 116.09 3ks9 n LEU 192 Ca 0.04 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 3ks9 n LEU 192 Cb 0.11 -0.51 0.48 0.00 -2.33 0.00 0.00 43.42 41.16 3ks9 n LEU 192 CO 0.37 -0.32 0.86 -1.20 -1.33 0.00 0.00 177.39 175.76 3ks9 n SER 193 N -1.58 0.01 -4.56 -1.43 7.64 -0.97 -4.71 113.62 108.03 3ks9 n SER 193 Ca 0.03 0.50 -0.41 0.00 1.01 0.00 0.00 58.87 60.00 3ks9 n SER 193 Cb 0.15 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 3ks9 n SER 193 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ks9 s ASP 194 N -3.02 6.18 0.10 6.43 3.68 -0.71 -4.88 116.67 124.45 3ks9 s ASP 194 Ca 0.11 -0.21 0.27 0.00 2.13 0.00 0.00 52.55 54.86 3ks9 s ASP 194 Cb 0.15 -2.56 1.03 0.00 -1.45 0.00 0.00 42.92 40.09 3ks9 s ASP 194 CO 0.41 -1.77 1.85 0.29 0.13 0.00 0.00 175.17 176.08 3ks9 n LYS 195 N 9.08 0.12 0.26 4.34 4.76 -1.26 -1.05 118.16 134.41 3ks9 n LYS 195 Ca 0.06 0.11 0.14 0.00 -2.87 0.00 0.00 58.31 55.75 3ks9 n LYS 195 Cb 0.49 -1.64 0.67 0.00 -1.84 0.00 0.00 35.03 32.71 3ks9 n LYS 195 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3ks9 h THR 196 N 0.00 0.35 0.00 -0.18 1.35 -1.98 -2.97 112.91 109.47 3ks9 h THR 196 Ca 0.00 -0.67 -0.20 0.00 -0.55 0.00 0.00 66.41 64.99 3ks9 h THR 196 Cb 0.60 1.50 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 3ks9 h THR 196 CO 0.00 0.11 -1.74 0.18 -0.25 0.00 0.00 175.52 173.82 3ks9 n LEU 197 N -3.35 0.27 -2.78 3.87 4.77 -0.97 -4.76 117.00 114.05 3ks9 n LEU 197 Ca -0.01 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 3ks9 n LEU 197 Cb 0.31 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3ks9 n LEU 197 CO 0.29 0.31 0.01 -1.22 -1.33 0.00 0.00 177.39 175.45 3ks9 n TYR 198 N -2.44 2.30 -0.33 -1.77 4.01 -0.21 -4.87 117.16 113.84 3ks9 n TYR 198 Ca -0.18 -3.37 0.12 0.00 -0.16 0.00 0.00 57.90 54.31 3ks9 n TYR 198 Cb 0.84 -0.32 0.30 0.00 -0.31 0.00 0.00 39.34 39.85 3ks9 n TYR 198 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3ks9 h LYS 199 N 2.87 0.66 -0.59 -0.72 3.64 -1.75 -2.61 116.57 118.07 3ks9 h LYS 199 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3ks9 h LYS 199 Cb 0.91 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3ks9 h LYS 199 CO 0.68 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.95 3ks9 n TYR 200 N -4.83 0.94 -4.01 1.91 4.02 -1.26 -4.90 117.16 109.03 3ks9 n TYR 200 Ca 0.22 -0.41 -0.36 0.00 -0.01 0.00 0.00 57.90 57.34 3ks9 n TYR 200 Cb 0.56 -0.11 -0.08 0.00 -0.02 0.00 0.00 39.34 39.70 3ks9 n TYR 200 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3ks9 s PHE 201 N -1.53 3.40 0.27 -0.72 5.36 -0.99 -0.10 117.98 123.67 3ks9 s PHE 201 Ca 0.38 0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 56.59 3ks9 s PHE 201 Cb 0.22 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.94 3ks9 s PHE 201 CO 0.22 0.50 0.44 -0.48 -1.46 0.00 0.00 175.22 174.44 3ks9 s LEU 202 N -0.55 0.61 0.04 6.12 2.34 0.08 -4.63 118.68 122.68 3ks9 s LEU 202 Ca 0.11 -1.15 -0.26 0.00 0.06 0.00 0.00 54.13 52.89 3ks9 s LEU 202 Cb -0.12 1.54 0.06 0.00 -0.56 0.00 0.00 46.19 47.12 3ks9 s LEU 202 CO 0.02 -1.16 0.60 0.00 -1.06 0.00 0.00 176.35 174.75 3ks9 s ARG 203 N -3.71 1.11 0.00 1.48 1.70 -0.63 -0.97 118.95 117.93 3ks9 s ARG 203 Ca 0.27 -0.10 0.22 0.00 -0.47 0.00 0.00 55.73 55.65 3ks9 s ARG 203 Cb 0.00 0.51 0.23 0.00 -0.57 0.00 0.00 34.95 35.13 3ks9 s ARG 203 CO 0.13 -0.41 1.25 1.33 -1.08 0.00 0.00 175.30 176.52 3ks9 n VAL 204 N 0.40 0.13 -4.37 4.99 0.24 -0.82 -3.55 118.33 115.34 3ks9 n VAL 204 Ca -0.18 -0.56 -0.34 0.00 -2.04 0.00 0.00 64.34 61.21 3ks9 n VAL 204 Cb 0.60 1.35 -0.09 0.00 -1.47 0.00 0.00 33.84 34.22 3ks9 n VAL 204 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3ks9 s VAL 205 N -1.76 4.24 0.52 3.34 0.11 -1.26 -4.86 120.40 120.73 3ks9 s VAL 205 Ca 0.29 -0.34 -0.21 0.00 -2.93 0.00 0.00 61.98 58.78 3ks9 s VAL 205 Cb 0.19 -2.80 -0.06 0.00 -1.53 0.00 0.00 36.38 32.19 3ks9 s VAL 205 CO 0.29 0.55 1.24 -2.16 -3.33 0.00 0.00 175.10 171.69 3ks9 s PRO 206 N -1.04 3.35 0.48 1.54 0.04 -1.26 -4.18 135.00 133.95 3ks9 s PRO 206 Ca 0.15 1.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 3ks9 s PRO 206 Cb -0.11 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 3ks9 s PRO 206 CO 0.04 -0.93 1.16 0.45 0.04 0.00 0.00 177.00 177.77 3ks9 s SER 207 N -1.29 6.02 0.59 6.66 0.15 -1.26 -4.68 113.70 119.89 3ks9 s SER 207 Ca 0.70 2.29 0.38 0.00 0.70 0.00 0.00 55.95 60.02 3ks9 s SER 207 Cb -0.33 -2.60 2.06 0.00 -1.71 0.00 0.00 66.02 63.44 3ks9 s SER 207 CO 0.38 -1.02 2.15 0.44 1.20 0.00 0.00 173.24 176.40 3ks9 h ASP 208 N 1.82 0.00 -0.13 5.45 3.32 -1.49 -0.67 116.42 124.72 3ks9 h ASP 208 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 3ks9 h ASP 208 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3ks9 h ASP 208 CO 0.59 0.00 0.13 0.00 -1.72 0.00 0.00 179.24 178.24 3ks9 h THR 209 N 0.00 0.55 0.00 0.35 1.03 -1.91 -1.34 112.91 111.58 3ks9 h THR 209 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.31 3ks9 h THR 209 Cb 0.10 0.90 -0.01 0.00 -1.07 0.00 0.00 68.15 68.07 3ks9 h THR 209 CO 0.00 0.00 -0.41 -0.07 -0.01 0.00 0.00 175.52 175.03 3ks9 h LEU 210 N 0.00 0.00 -0.27 0.00 3.38 -1.49 -1.80 115.31 115.13 3ks9 h LEU 210 Ca 0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ks9 h LEU 210 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3ks9 h LEU 210 CO -0.00 0.41 0.14 1.56 0.09 0.00 0.00 178.44 180.64 3ks9 h GLN 211 N 0.00 0.28 -0.70 1.13 4.20 -1.40 0.57 115.11 119.19 3ks9 h GLN 211 Ca -0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3ks9 h GLN 211 Cb 1.11 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.77 3ks9 h GLN 211 CO 0.05 0.19 0.41 0.00 -0.67 0.00 0.00 178.83 178.81 3ks9 h ALA 212 N 1.13 0.94 -0.26 3.87 0.00 -1.14 -0.71 119.26 123.11 3ks9 h ALA 212 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ks9 h ALA 212 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ks9 h ALA 212 CO -0.07 0.11 0.10 -0.09 0.00 0.00 0.00 179.25 179.30 3ks9 h ARG 213 N 0.76 0.38 -0.33 0.00 9.65 -1.14 -1.50 114.38 122.19 3ks9 h ARG 213 Ca 0.31 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 3ks9 h ARG 213 Cb 0.16 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3ks9 h ARG 213 CO -0.17 0.42 0.14 0.00 2.80 0.00 0.00 179.97 183.16 3ks9 h ALA 214 N 0.94 0.43 -0.67 2.80 0.00 -0.44 -0.38 119.26 121.94 3ks9 h ALA 214 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ks9 h ALA 214 Cb 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ks9 h ALA 214 CO -0.01 0.03 0.44 0.52 0.00 0.00 0.00 179.25 180.23 3ks9 h MET 215 N 0.39 0.86 -0.67 0.00 2.86 -1.03 -0.78 114.93 116.57 3ks9 h MET 215 Ca 0.11 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3ks9 h MET 215 Cb 0.18 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3ks9 h MET 215 CO -0.01 0.57 0.26 1.25 1.06 0.00 0.00 176.91 180.03 3ks9 h LEU 216 N 0.88 0.90 -1.00 1.22 5.85 -1.04 -1.84 115.31 120.29 3ks9 h LEU 216 Ca 0.25 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ks9 h LEU 216 Cb -0.07 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 3ks9 h LEU 216 CO -0.07 0.81 0.54 0.44 -0.34 0.00 0.00 178.44 179.83 3ks9 h ASP 217 N 0.96 1.09 -0.11 1.25 3.32 -0.15 -0.60 116.42 122.18 3ks9 h ASP 217 Ca 0.22 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ks9 h ASP 217 Cb 0.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3ks9 h ASP 217 CO -0.02 0.84 0.07 0.40 -1.72 0.00 0.00 179.24 178.81 3ks9 h ILE 218 N 1.25 1.06 -0.33 0.35 2.04 -0.80 -0.22 117.51 120.87 3ks9 h ILE 218 Ca 0.33 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 66.08 3ks9 h ILE 218 Cb -0.05 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3ks9 h ILE 218 CO -0.06 0.06 0.04 0.58 0.00 0.00 0.00 178.15 178.76 3ks9 h VAL 219 N 0.11 0.80 -0.14 1.67 2.07 -0.90 -2.67 116.25 117.19 3ks9 h VAL 219 Ca 0.04 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3ks9 h VAL 219 Cb 0.03 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ks9 h VAL 219 CO -0.01 0.03 -0.31 0.11 0.02 0.00 0.00 177.57 177.41 3ks9 h LYS 220 N 0.14 0.26 -0.77 1.57 1.57 -1.01 -2.88 116.57 115.46 3ks9 h LYS 220 Ca 0.16 -0.10 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 3ks9 h LYS 220 Cb 0.19 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3ks9 h LYS 220 CO -0.23 0.55 0.50 -0.09 -0.57 0.00 0.00 179.45 179.61 3ks9 h ARG 221 N 0.23 0.66 -0.68 3.15 2.43 -0.68 -1.15 114.38 118.35 3ks9 h ARG 221 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ks9 h ARG 221 Cb 0.66 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3ks9 h ARG 221 CO 0.05 0.44 0.00 0.66 -1.51 0.00 0.00 179.97 179.61 3ks9 n TYR 222 N -4.50 1.45 -2.24 2.20 4.02 -1.10 -4.96 117.16 112.02 3ks9 n TYR 222 Ca 0.13 -0.60 -0.20 0.00 -0.01 0.00 0.00 57.90 57.22 3ks9 n TYR 222 Cb 0.33 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 3ks9 n TYR 222 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ks9 n ASN 223 N 1.24 -5.62 -4.76 7.72 3.02 -0.43 -4.98 115.26 111.45 3ks9 n ASN 223 Ca 0.26 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.48 3ks9 n ASN 223 Cb 0.87 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 35.31 3ks9 n ASN 223 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3ks9 s TRP 224 N -2.94 3.57 -0.17 3.10 0.52 -1.12 -4.96 118.94 116.94 3ks9 s TRP 224 Ca 0.00 1.72 0.01 0.00 0.02 0.00 0.00 56.10 57.85 3ks9 s TRP 224 Cb 0.00 -3.21 0.01 0.00 -1.15 0.00 0.00 33.47 29.12 3ks9 s TRP 224 CO 0.00 -0.43 0.53 0.25 0.02 0.00 0.00 176.95 177.32 3ks9 n THR 225 N 0.97 0.00 -3.51 2.01 -2.24 -1.26 -4.69 114.28 105.57 3ks9 n THR 225 Ca -0.00 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 3ks9 n THR 225 Cb 0.46 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 3ks9 n THR 225 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ks9 s TYR 226 N -0.15 -0.45 0.10 4.78 5.04 -1.26 -0.49 117.35 124.92 3ks9 s TYR 226 Ca 0.02 0.58 0.05 0.00 -2.44 0.00 0.00 57.07 55.28 3ks9 s TYR 226 Cb 0.01 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.11 3ks9 s TYR 226 CO 0.02 -0.56 -0.13 0.14 -1.34 0.00 0.00 175.55 173.68 3ks9 s VAL 227 N 2.41 1.14 0.56 3.14 -7.23 -0.80 -4.51 120.40 115.10 3ks9 s VAL 227 Ca 0.07 -1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 3ks9 s VAL 227 Cb -0.15 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3ks9 s VAL 227 CO -0.12 -0.42 0.85 -0.44 -0.31 0.00 0.00 175.10 174.66 3ks9 s SER 228 N -2.28 5.66 -0.07 4.85 0.01 0.26 -0.17 113.70 121.95 3ks9 s SER 228 Ca 0.05 0.63 -0.03 0.00 1.31 0.00 0.00 55.95 57.91 3ks9 s SER 228 Cb -0.05 -1.68 0.04 0.00 0.21 0.00 0.00 66.02 64.53 3ks9 s SER 228 CO 0.02 -0.97 0.07 0.00 0.41 0.00 0.00 173.24 172.77 3ks9 s ALA 229 N -2.89 0.24 -0.06 1.44 0.00 0.13 -0.59 121.76 120.02 3ks9 s ALA 229 Ca 0.53 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3ks9 s ALA 229 Cb -0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3ks9 s ALA 229 CO 0.44 -0.63 -0.21 0.08 0.00 0.00 0.00 175.76 175.43 3ks9 s VAL 230 N 2.17 1.76 0.10 0.00 1.01 0.00 -1.24 120.40 124.21 3ks9 s VAL 230 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3ks9 s VAL 230 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3ks9 s VAL 230 CO -0.04 0.50 -0.08 -1.38 0.00 0.00 0.00 175.10 174.10 3ks9 s HIS 231 N 0.01 0.95 0.24 5.22 -3.43 -0.42 -1.41 115.29 116.46 3ks9 s HIS 231 Ca -0.06 -0.83 -0.29 0.00 -0.80 0.00 0.00 55.06 53.08 3ks9 s HIS 231 Cb -0.13 -0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 30.39 3ks9 s HIS 231 CO 0.04 -0.09 0.93 0.99 -2.00 0.00 0.00 174.74 174.60 3ks9 s THR 232 N -3.28 4.10 0.63 -5.38 2.01 -1.05 -0.52 115.64 112.17 3ks9 s THR 232 Ca 0.10 2.04 -0.18 0.00 0.31 0.00 0.00 61.69 63.96 3ks9 s THR 232 Cb 0.03 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 3ks9 s THR 232 CO -0.03 0.46 1.00 -1.84 -0.69 0.00 0.00 174.62 173.52 3ks9 n GLU 233 N 1.39 0.83 0.00 4.92 0.28 -0.34 -3.38 120.64 124.34 3ks9 n GLU 233 Ca -0.02 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 3ks9 n GLU 233 Cb 0.47 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.13 3ks9 n GLU 233 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ks9 n GLY 234 N 1.23 1.58 0.25 -1.84 0.00 -1.26 -4.65 105.19 100.49 3ks9 n GLY 234 Ca 0.14 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 44.05 3ks9 n GLY 234 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ks9 h ASN 235 N 0.00 0.18 0.37 1.61 2.35 -1.99 -1.60 115.58 116.51 3ks9 h ASN 235 Ca 0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3ks9 h ASN 235 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ks9 h ASN 235 CO 0.00 0.29 -0.18 0.22 -1.65 0.00 0.00 177.43 176.11 3ks9 h TYR 236 N 0.19 -0.46 -0.41 1.19 3.20 -1.89 -3.02 116.97 115.76 3ks9 h TYR 236 Ca 0.04 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3ks9 h TYR 236 Cb 0.27 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3ks9 h TYR 236 CO 0.00 -0.15 -0.20 0.78 -1.64 0.00 0.00 178.16 176.95 3ks9 h GLY 237 N -1.00 0.94 0.61 1.82 0.00 -1.64 -2.61 103.07 101.19 3ks9 h GLY 237 Ca -0.05 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 3ks9 h GLY 237 CO 0.08 0.76 -0.28 0.83 0.00 0.00 0.00 176.54 177.94 3ks9 h GLU 238 N 0.68 0.27 -0.23 4.80 5.08 -1.30 -0.93 114.58 122.95 3ks9 h GLU 238 Ca 0.09 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 3ks9 h GLU 238 Cb 0.76 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3ks9 h GLU 238 CO 0.06 0.89 -0.45 0.66 -1.00 0.00 0.00 179.01 179.17 3ks9 h SER 239 N -0.28 0.63 -0.26 1.42 4.64 -1.65 0.26 113.55 118.32 3ks9 h SER 239 Ca -0.02 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3ks9 h SER 239 Cb 0.95 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3ks9 h SER 239 CO 0.06 0.99 0.14 1.23 -0.87 0.00 0.00 176.83 178.38 3ks9 h GLY 240 N 1.04 0.35 1.19 -0.77 0.00 -1.48 -1.65 103.07 101.76 3ks9 h GLY 240 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 3ks9 h GLY 240 CO 0.09 0.09 -0.26 1.98 0.00 0.00 0.00 176.54 178.44 3ks9 h MET 241 N 0.30 0.91 -0.90 4.80 -1.53 -1.07 -1.76 114.93 115.68 3ks9 h MET 241 Ca 0.10 -0.41 0.07 0.00 -3.44 0.00 0.00 59.70 56.03 3ks9 h MET 241 Cb 0.01 -0.02 -0.07 0.00 -0.55 0.00 0.00 31.60 30.97 3ks9 h MET 241 CO -0.05 1.06 0.56 -0.44 0.14 0.00 0.00 176.91 178.18 3ks9 h ASP 242 N 0.78 0.87 -0.25 1.39 3.32 -0.78 0.82 116.42 122.56 3ks9 h ASP 242 Ca 0.09 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3ks9 h ASP 242 Cb 0.83 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3ks9 h ASP 242 CO 0.07 0.54 0.05 0.00 -1.72 0.00 0.00 179.24 178.18 3ks9 h ALA 243 N 1.43 0.34 -0.23 3.45 0.00 -0.99 -1.55 119.26 121.70 3ks9 h ALA 243 Ca 0.40 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3ks9 h ALA 243 Cb 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ks9 h ALA 243 CO -0.19 0.01 0.04 0.35 0.00 0.00 0.00 179.25 179.46 3ks9 h PHE 244 N 0.23 0.07 -0.52 0.00 3.57 -0.70 -2.32 116.94 117.27 3ks9 h PHE 244 Ca 0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3ks9 h PHE 244 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3ks9 h PHE 244 CO 0.02 0.01 -0.02 0.87 -2.23 0.00 0.00 178.31 176.97 3ks9 h LYS 245 N 0.13 0.89 -0.23 1.11 1.57 -0.79 0.41 116.57 119.66 3ks9 h LYS 245 Ca 0.11 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3ks9 h LYS 245 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ks9 h LYS 245 CO -0.15 0.90 0.14 1.49 -0.57 0.00 0.00 179.45 181.26 3ks9 h GLU 246 N 0.82 0.28 -0.44 3.15 4.81 -1.15 -1.74 114.58 120.31 3ks9 h GLU 246 Ca 0.15 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3ks9 h GLU 246 Cb 0.51 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3ks9 h GLU 246 CO 0.03 0.18 0.08 -0.07 -0.73 0.00 0.00 179.01 178.50 3ks9 h LEU 247 N 0.29 0.69 -0.63 1.64 3.38 -1.19 -2.80 115.31 116.68 3ks9 h LEU 247 Ca 0.09 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3ks9 h LEU 247 Cb -0.01 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3ks9 h LEU 247 CO -0.04 0.77 0.24 0.00 0.09 0.00 0.00 178.44 179.49 3ks9 h ALA 248 N 0.95 0.82 0.00 1.53 0.00 -0.77 -1.48 119.26 120.31 3ks9 h ALA 248 Ca 0.13 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3ks9 h ALA 248 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ks9 h ALA 248 CO 0.01 -0.19 -0.37 0.00 0.00 0.00 0.00 179.25 178.69 3ks9 h ALA 249 N 1.43 1.31 0.00 0.00 0.00 -1.25 -1.04 119.26 119.72 3ks9 h ALA 249 Ca 0.32 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ks9 h ALA 249 Cb 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ks9 h ALA 249 CO -0.32 0.47 -0.01 1.96 0.00 0.00 0.00 179.25 181.35 3ks9 h GLN 250 N 0.00 0.00 -0.01 0.00 4.20 -1.04 -3.36 115.11 114.90 3ks9 h GLN 250 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ks9 h GLN 250 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3ks9 h GLN 250 CO 0.05 0.01 0.00 0.39 -0.67 0.00 0.00 178.83 178.61 3ks9 n GLU 251 N -3.10 2.08 -0.72 1.46 1.02 -0.70 -4.99 120.64 115.68 3ks9 n GLU 251 Ca 0.03 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 3ks9 n GLU 251 Cb 0.45 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3ks9 n GLU 251 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ks9 n GLY 252 N -0.98 0.58 3.81 0.62 0.00 -0.97 -5.03 105.19 103.22 3ks9 n GLY 252 Ca 0.09 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3ks9 n GLY 252 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ks9 s LEU 253 N 0.00 4.32 -0.08 0.99 2.96 -0.46 -4.90 118.68 121.51 3ks9 s LEU 253 Ca 0.00 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3ks9 s LEU 253 Cb 0.00 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3ks9 s LEU 253 CO 0.00 0.29 0.06 -0.44 -1.32 0.00 0.00 176.35 174.94 3ks9 s SER 254 N -0.40 5.67 -0.16 3.68 0.01 0.36 -4.22 113.70 118.64 3ks9 s SER 254 Ca 0.13 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.46 3ks9 s SER 254 Cb -0.12 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 3ks9 s SER 254 CO 0.03 0.36 0.46 -0.63 0.41 0.00 0.00 173.24 173.87 3ks9 s ILE 255 N -1.00 5.17 0.00 1.44 -1.09 -1.26 -1.91 121.20 122.55 3ks9 s ILE 255 Ca 0.16 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 3ks9 s ILE 255 Cb -0.12 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 3ks9 s ILE 255 CO 0.06 0.27 0.00 0.00 -1.23 0.00 0.00 174.94 174.03 3ks9 n ALA 256 N 4.17 0.00 -2.57 9.38 0.00 0.76 -4.92 120.51 127.34 3ks9 n ALA 256 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3ks9 n ALA 256 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3ks9 n ALA 256 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ks9 s HIS 257 N 0.29 3.70 -0.10 0.00 5.65 -1.26 -4.93 115.29 118.64 3ks9 s HIS 257 Ca 0.00 1.67 0.03 0.00 0.25 0.00 0.00 55.06 57.01 3ks9 s HIS 257 Cb 0.00 -3.05 -0.01 0.00 -1.18 0.00 0.00 32.58 28.34 3ks9 s HIS 257 CO 0.00 0.08 -0.21 0.45 -0.65 0.00 0.00 174.74 174.41 3ks9 s SER 258 N 0.64 3.39 -0.06 9.88 0.15 -1.26 -0.69 113.70 125.74 3ks9 s SER 258 Ca 0.48 -0.47 -0.09 0.00 0.70 0.00 0.00 55.95 56.57 3ks9 s SER 258 Cb -0.21 -1.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 3ks9 s SER 258 CO 0.27 0.19 0.23 -0.62 1.20 0.00 0.00 173.24 174.51 3ks9 s ASP 259 N 0.18 -0.19 -0.21 5.45 -1.08 -0.38 -5.00 116.67 115.45 3ks9 s ASP 259 Ca -0.12 0.29 -0.03 0.00 -0.52 0.00 0.00 52.55 52.16 3ks9 s ASP 259 Cb -0.16 0.41 -0.01 0.00 -1.46 0.00 0.00 42.92 41.70 3ks9 s ASP 259 CO 0.07 -0.20 -0.06 -0.75 0.52 0.00 0.00 175.17 174.75 3ks9 s LYS 260 N -0.40 3.37 -0.19 4.34 2.20 -1.26 -1.30 119.74 126.50 3ks9 s LYS 260 Ca -0.05 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.88 3ks9 s LYS 260 Cb -0.03 -2.96 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 3ks9 s LYS 260 CO 0.01 -0.16 -0.01 0.42 -0.36 0.00 0.00 175.35 175.25 3ks9 s ILE 261 N 1.37 3.92 0.65 5.43 -1.09 0.33 -4.88 121.20 126.93 3ks9 s ILE 261 Ca 0.04 -0.33 -0.15 0.00 -2.23 0.00 0.00 60.65 57.99 3ks9 s ILE 261 Cb -0.14 -2.76 -0.00 0.00 -1.58 0.00 0.00 42.46 37.97 3ks9 s ILE 261 CO -0.03 0.44 1.10 -0.31 -1.23 0.00 0.00 174.94 174.91 3ks9 s TYR 262 N 0.88 2.71 0.39 3.97 1.51 -1.26 -1.19 117.35 124.35 3ks9 s TYR 262 Ca 0.01 1.54 0.11 0.00 -1.01 0.00 0.00 57.07 57.71 3ks9 s TYR 262 Cb -0.14 -3.12 0.78 0.00 -0.11 0.00 0.00 41.96 39.36 3ks9 s TYR 262 CO 0.02 -1.57 1.89 0.77 -1.11 0.00 0.00 175.55 175.55 3ks9 h SER 263 N 0.04 0.14 -0.62 2.29 0.02 -1.98 -2.84 113.55 110.61 3ks9 h SER 263 Ca -0.47 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3ks9 h SER 263 Cb 1.24 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3ks9 h SER 263 CO 0.55 0.37 0.00 -0.46 -1.14 0.00 0.00 176.83 176.14 3ks9 n ASN 264 N -4.23 4.53 -4.74 3.07 6.94 -1.26 -5.00 115.26 114.57 3ks9 n ASN 264 Ca -0.01 -2.42 -0.41 0.00 -0.02 0.00 0.00 54.58 51.71 3ks9 n ASN 264 Cb 0.31 -0.57 -0.02 0.00 -2.36 0.00 0.00 39.78 37.14 3ks9 n ASN 264 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ks9 s ALA 265 N -1.84 3.69 0.90 -2.53 0.00 -1.07 -5.01 121.76 115.89 3ks9 s ALA 265 Ca 0.48 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 3ks9 s ALA 265 Cb 0.31 -3.60 0.18 0.00 0.00 0.00 0.00 23.12 20.02 3ks9 s ALA 265 CO 0.23 -0.84 1.24 0.20 0.00 0.00 0.00 175.76 176.59 3ks9 s GLY 266 N 0.48 1.78 0.30 0.00 0.00 -1.26 -4.89 107.32 103.74 3ks9 s GLY 266 Ca 0.62 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.99 3ks9 s GLY 266 CO 0.44 -0.65 1.88 0.83 0.00 0.00 0.00 173.10 175.61 3ks9 h GLU 267 N -1.34 0.94 -0.58 2.90 5.08 -1.97 -1.98 114.58 117.63 3ks9 h GLU 267 Ca -0.42 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 3ks9 h GLU 267 Cb 1.24 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3ks9 h GLU 267 CO 0.38 0.62 0.22 0.87 -1.00 0.00 0.00 179.01 180.10 3ks9 h LYS 268 N 0.97 0.85 -0.39 2.33 1.79 -1.99 0.15 116.57 120.29 3ks9 h LYS 268 Ca 0.43 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.65 3ks9 h LYS 268 Cb 0.35 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3ks9 h LYS 268 CO -0.19 0.71 -0.20 0.77 -1.08 0.00 0.00 179.45 179.46 3ks9 h SER 269 N 0.83 0.84 -0.49 0.86 0.02 -1.74 -1.94 113.55 111.94 3ks9 h SER 269 Ca 0.20 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 3ks9 h SER 269 Cb 0.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ks9 h SER 269 CO -0.02 1.07 0.02 -0.26 -1.14 0.00 0.00 176.83 176.50 3ks9 h PHE 270 N 0.62 0.93 -0.53 3.45 -1.00 -1.13 -1.24 116.94 118.03 3ks9 h PHE 270 Ca 0.08 -0.16 0.11 0.00 2.81 0.00 0.00 57.97 60.82 3ks9 h PHE 270 Cb 0.76 -0.24 -0.09 0.00 3.61 0.00 0.00 35.95 39.98 3ks9 h PHE 270 CO 0.06 0.87 -0.02 -0.44 -1.61 0.00 0.00 178.31 177.17 3ks9 h ASP 271 N 0.72 -0.27 -0.57 2.17 3.32 -0.63 -0.26 116.42 120.89 3ks9 h ASP 271 Ca 0.14 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 3ks9 h ASP 271 Cb 0.49 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3ks9 h ASP 271 CO 0.02 -0.10 0.05 -0.09 -1.72 0.00 0.00 179.24 177.40 3ks9 h ARG 272 N 0.10 0.98 -0.22 3.56 2.43 -1.17 -1.68 114.38 118.37 3ks9 h ARG 272 Ca 0.27 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3ks9 h ARG 272 Cb 0.42 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3ks9 h ARG 272 CO -0.47 0.96 0.10 1.25 -1.51 0.00 0.00 179.97 180.30 3ks9 h LEU 273 N 0.87 0.14 -0.75 3.80 5.85 -0.40 -1.20 115.31 123.63 3ks9 h LEU 273 Ca 0.17 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3ks9 h LEU 273 Cb 0.48 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3ks9 h LEU 273 CO 0.02 0.11 0.44 0.25 -0.34 0.00 0.00 178.44 178.92 3ks9 h LEU 274 N 0.22 0.66 -0.56 2.25 5.85 -0.89 -1.09 115.31 121.76 3ks9 h LEU 274 Ca 0.09 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3ks9 h LEU 274 Cb 0.03 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3ks9 h LEU 274 CO -0.07 0.42 0.33 0.03 -0.34 0.00 0.00 178.44 178.81 3ks9 h ARG 275 N 0.80 0.62 -0.60 1.25 3.08 -0.81 -0.62 114.38 118.10 3ks9 h ARG 275 Ca 0.33 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 3ks9 h ARG 275 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3ks9 h ARG 275 CO -0.18 0.41 0.03 0.87 -1.07 0.00 0.00 179.97 180.03 3ks9 h LYS 276 N 0.64 1.02 -0.51 0.04 1.79 -0.64 -1.84 116.57 117.07 3ks9 h LYS 276 Ca 0.23 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3ks9 h LYS 276 Cb 0.05 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3ks9 h LYS 276 CO -0.11 0.98 0.11 -0.07 -1.08 0.00 0.00 179.45 179.28 3ks9 h LEU 277 N 0.94 0.79 -1.40 2.94 3.38 -0.91 -3.06 115.31 117.99 3ks9 h LEU 277 Ca 0.18 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3ks9 h LEU 277 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ks9 h LEU 277 CO 0.02 0.83 -0.27 0.03 0.09 0.00 0.00 178.44 179.14 3ks9 h ARG 278 N 0.71 0.00 0.00 1.13 3.08 -0.80 -2.66 114.38 115.84 3ks9 h ARG 278 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3ks9 h ARG 278 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3ks9 h ARG 278 CO 0.01 0.27 -0.01 0.93 -1.07 0.00 0.00 179.97 180.10 3ks9 h GLU 279 N 0.00 0.00 -0.23 0.04 5.08 -1.23 -2.37 114.58 115.87 3ks9 h GLU 279 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ks9 h GLU 279 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ks9 h GLU 279 CO 0.04 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 3ks9 n ARG 280 N -3.97 2.27 -2.53 2.33 5.12 -1.00 -4.91 116.66 113.97 3ks9 n ARG 280 Ca -0.03 -1.89 -0.37 0.00 -1.93 0.00 0.00 57.85 53.63 3ks9 n ARG 280 Cb 0.09 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 29.87 3ks9 n ARG 280 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ks9 s LEU 281 N -1.68 4.19 0.00 0.55 1.43 -0.89 -1.21 118.68 121.07 3ks9 s LEU 281 Ca 0.35 2.08 0.24 0.00 -1.03 0.00 0.00 54.13 55.77 3ks9 s LEU 281 Cb 0.21 -4.11 0.32 0.00 0.03 0.00 0.00 46.19 42.64 3ks9 s LEU 281 CO 0.30 -0.46 1.32 -0.81 0.23 0.00 0.00 176.35 176.94 3ks9 n PRO 282 N 0.09 1.90 0.30 1.29 -0.04 -1.26 -4.88 135.00 132.40 3ks9 n PRO 282 Ca 0.04 -1.50 0.17 0.00 -0.04 0.00 0.00 63.50 62.17 3ks9 n PRO 282 Cb 0.49 -1.47 0.96 0.00 -0.04 0.00 0.00 33.50 33.44 3ks9 n PRO 282 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3ks9 h LYS 283 N 3.66 0.00 -2.09 0.54 1.63 -1.88 -3.22 116.57 115.21 3ks9 h LYS 283 Ca 0.00 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.25 3ks9 h LYS 283 Cb 0.84 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.07 3ks9 h LYS 283 CO 0.00 0.02 -0.95 0.00 -3.45 0.00 0.00 179.45 175.07 3ks9 n ALA 284 N -2.25 3.03 0.22 5.00 0.00 -0.35 -4.71 120.51 121.45 3ks9 n ALA 284 Ca -0.03 -3.90 0.06 0.00 0.00 0.00 0.00 53.44 49.57 3ks9 n ALA 284 Cb 0.11 -0.85 0.52 0.00 0.00 0.00 0.00 19.45 19.23 3ks9 n ALA 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ks9 h ARG 285 N 3.55 0.00 -5.93 0.00 3.08 -1.82 -3.42 114.38 109.84 3ks9 h ARG 285 Ca 0.12 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.59 3ks9 h ARG 285 Cb 0.80 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.78 3ks9 h ARG 285 CO 0.61 0.22 0.26 0.08 -1.07 0.00 0.00 179.97 180.06 3ks9 s VAL 286 N -4.40 4.95 -0.25 2.04 1.01 -1.26 0.27 120.40 122.76 3ks9 s VAL 286 Ca -0.03 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 3ks9 s VAL 286 Cb 0.15 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3ks9 s VAL 286 CO 0.68 0.11 -0.06 -0.69 0.00 0.00 0.00 175.10 175.13 3ks9 s VAL 287 N 1.69 2.81 -0.31 2.92 1.01 -0.12 -0.58 120.40 127.83 3ks9 s VAL 287 Ca 0.37 -1.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3ks9 s VAL 287 Cb -0.17 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3ks9 s VAL 287 CO 0.14 0.15 0.74 -0.69 0.00 0.00 0.00 175.10 175.44 3ks9 s VAL 288 N 1.30 4.83 -0.41 2.92 1.01 0.24 -0.94 120.40 129.36 3ks9 s VAL 288 Ca -0.01 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.99 3ks9 s VAL 288 Cb -0.17 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.21 3ks9 s VAL 288 CO -0.04 -0.24 0.20 0.00 0.00 0.00 0.00 175.10 175.02 3ks9 s PHE 290 N 1.16 3.59 0.01 0.00 5.36 -0.50 -1.39 117.98 126.21 3ks9 s PHE 290 Ca 0.07 -2.09 0.02 0.00 -0.96 0.00 0.00 56.93 53.97 3ks9 s PHE 290 Cb -0.23 -4.19 -0.01 0.00 -0.34 0.00 0.00 43.02 38.26 3ks9 s PHE 290 CO -0.04 -1.30 -0.06 0.00 -1.46 0.00 0.00 175.22 172.36 3ks9 s GLU 292 N -0.55 2.74 0.36 0.00 2.02 -1.26 -3.78 118.70 118.23 3ks9 s GLU 292 Ca -0.02 1.56 0.04 0.00 0.02 0.00 0.00 54.97 56.57 3ks9 s GLU 292 Cb -0.04 -1.93 0.69 0.00 0.10 0.00 0.00 34.13 32.94 3ks9 s GLU 292 CO -0.00 -1.32 2.00 0.78 0.02 0.00 0.00 175.26 176.74 3ks9 h GLY 293 N 0.22 0.77 1.16 -1.39 0.00 -1.87 -2.05 103.07 99.91 3ks9 h GLY 293 Ca -0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 3ks9 h GLY 293 CO 0.54 0.30 0.47 0.00 0.00 0.00 0.00 176.54 177.85 3ks9 h MET 294 N 0.74 1.11 -0.45 4.80 -0.00 -1.92 -1.18 114.93 118.02 3ks9 h MET 294 Ca 0.19 -0.11 0.00 0.00 -0.00 0.00 0.00 59.70 59.79 3ks9 h MET 294 Cb -0.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 31.60 31.32 3ks9 h MET 294 CO -0.04 0.79 0.28 1.15 -0.00 0.00 0.00 176.91 179.09 3ks9 h THR 295 N 1.12 1.13 -0.40 -0.10 2.02 -1.75 -0.17 112.91 114.77 3ks9 h THR 295 Ca 0.29 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3ks9 h THR 295 Cb -0.02 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3ks9 h THR 295 CO -0.05 0.13 0.23 0.58 0.37 0.00 0.00 175.52 176.77 3ks9 h VAL 296 N 0.60 1.02 -0.90 3.16 2.07 -1.34 -2.45 116.25 118.42 3ks9 h VAL 296 Ca 0.16 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3ks9 h VAL 296 Cb -0.03 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3ks9 h VAL 296 CO -0.03 0.08 0.59 -0.09 0.02 0.00 0.00 177.57 178.14 3ks9 h ARG 297 N 0.46 1.18 -0.55 1.57 2.43 -0.52 -0.92 114.38 118.02 3ks9 h ARG 297 Ca 0.16 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3ks9 h ARG 297 Cb 0.03 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3ks9 h ARG 297 CO -0.09 0.78 0.15 0.78 -1.51 0.00 0.00 179.97 180.08 3ks9 h GLY 298 N 1.21 0.90 0.88 2.80 0.00 -0.76 -0.82 103.07 107.28 3ks9 h GLY 298 Ca 0.33 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3ks9 h GLY 298 CO -0.07 0.48 0.03 -2.00 0.00 0.00 0.00 176.54 174.98 3ks9 h LEU 299 N 0.82 0.48 -0.95 3.11 5.85 -0.84 -2.01 115.31 121.76 3ks9 h LEU 299 Ca 0.18 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3ks9 h LEU 299 Cb 0.27 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3ks9 h LEU 299 CO -0.00 0.64 0.61 -0.07 -0.34 0.00 0.00 178.44 179.28 3ks9 h LEU 300 N 0.31 1.00 -0.21 2.25 3.38 -0.78 -0.96 115.31 120.31 3ks9 h LEU 300 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ks9 h LEU 300 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3ks9 h LEU 300 CO 0.01 0.67 0.08 -1.28 0.09 0.00 0.00 178.44 178.01 3ks9 h SER 301 N 1.16 0.29 -0.83 -0.43 0.87 -1.08 -1.48 113.55 112.05 3ks9 h SER 301 Ca 0.39 -0.18 0.11 0.00 -1.23 0.00 0.00 61.79 60.88 3ks9 h SER 301 Cb 0.07 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 3ks9 h SER 301 CO -0.14 0.39 0.46 0.00 -0.53 0.00 0.00 176.83 177.01 3ks9 h ALA 302 N 0.91 1.20 -0.37 6.23 0.00 -0.98 -1.40 119.26 124.85 3ks9 h ALA 302 Ca 0.07 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3ks9 h ALA 302 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ks9 h ALA 302 CO -0.00 0.05 0.19 0.52 0.00 0.00 0.00 179.25 180.00 3ks9 h MET 303 N 0.75 0.37 -0.41 0.00 2.07 -0.64 -1.16 114.93 115.91 3ks9 h MET 303 Ca 0.41 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 58.07 3ks9 h MET 303 Cb 0.43 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 30.03 3ks9 h MET 303 CO -0.27 0.25 0.13 -0.09 1.07 0.00 0.00 176.91 177.99 3ks9 h ARG 304 N 0.38 0.27 -0.76 1.72 9.65 -0.77 0.25 114.38 125.13 3ks9 h ARG 304 Ca 0.16 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 3ks9 h ARG 304 Cb 0.07 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 3ks9 h ARG 304 CO -0.11 0.18 0.28 0.00 2.80 0.00 0.00 179.97 183.12 3ks9 h ARG 305 N 0.28 1.14 0.00 0.20 3.08 -0.78 -2.18 114.38 116.12 3ks9 h ARG 305 Ca 0.20 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3ks9 h ARG 305 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3ks9 h ARG 305 CO -0.22 0.93 -0.47 1.25 -1.07 0.00 0.00 179.97 180.40 3ks9 h LEU 306 N 1.10 0.00 -0.39 3.04 5.85 -0.95 -3.48 115.31 120.49 3ks9 h LEU 306 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3ks9 h LEU 306 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ks9 h LEU 306 CO -0.02 0.47 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 3ks9 n GLY 307 N 0.51 0.80 3.49 3.75 0.00 0.03 -5.08 105.19 108.69 3ks9 n GLY 307 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3ks9 n GLY 307 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ks9 s VAL 308 N -2.39 2.87 -0.05 1.61 -7.23 -0.94 -5.05 120.40 109.23 3ks9 s VAL 308 Ca 0.00 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3ks9 s VAL 308 Cb 0.00 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.68 3ks9 s VAL 308 CO 0.00 0.18 0.11 -0.69 -0.31 0.00 0.00 175.10 174.39 3ks9 s VAL 309 N -1.08 -0.02 -1.23 1.32 1.01 -1.26 -4.51 120.40 114.62 3ks9 s VAL 309 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3ks9 s VAL 309 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3ks9 s VAL 309 CO 0.09 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3ks9 n GLY 310 N 3.53 0.89 0.00 4.51 0.00 -1.26 -4.90 105.19 107.97 3ks9 n GLY 310 Ca -0.19 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3ks9 n GLY 310 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ks9 n GLU 311 N -2.51 0.01 -4.42 1.61 -0.58 -1.26 -4.93 120.64 108.56 3ks9 n GLU 311 Ca -0.13 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.39 3ks9 n GLU 311 Cb 0.47 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.73 3ks9 n GLU 311 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3ks9 s PHE 312 N -3.01 2.11 -0.46 -0.32 0.08 -1.26 -4.78 117.98 110.35 3ks9 s PHE 312 Ca 0.11 -0.41 -0.09 0.00 0.12 0.00 0.00 56.93 56.67 3ks9 s PHE 312 Cb 0.17 -0.95 0.11 0.00 -0.57 0.00 0.00 43.02 41.79 3ks9 s PHE 312 CO 0.70 0.58 0.32 -1.12 -0.10 0.00 0.00 175.22 175.59 3ks9 s SER 313 N -3.32 5.65 -0.13 1.36 0.01 0.14 -4.94 113.70 112.48 3ks9 s SER 313 Ca 0.26 -1.84 -0.28 0.00 1.31 0.00 0.00 55.95 55.40 3ks9 s SER 313 Cb -0.04 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 3ks9 s SER 313 CO 0.12 -0.65 0.94 -0.76 0.41 0.00 0.00 173.24 173.30 3ks9 s LEU 314 N 1.35 4.22 -0.28 2.44 1.43 -1.26 -0.95 118.68 125.64 3ks9 s LEU 314 Ca 0.05 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 3ks9 s LEU 314 Cb -0.25 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3ks9 s LEU 314 CO -0.01 -0.43 0.02 -0.63 0.23 0.00 0.00 176.35 175.53 3ks9 s ILE 315 N 2.04 3.35 0.10 -0.59 1.01 -0.11 -0.43 121.20 126.57 3ks9 s ILE 315 Ca 0.45 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3ks9 s ILE 315 Cb -0.18 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3ks9 s ILE 315 CO 0.16 0.05 -0.07 -0.83 0.00 0.00 0.00 174.94 174.25 3ks9 s GLY 316 N 1.37 1.83 0.63 6.18 0.00 0.16 -0.54 107.32 116.96 3ks9 s GLY 316 Ca -0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.40 3ks9 s GLY 316 CO -0.01 -1.18 0.86 -1.14 0.00 0.00 0.00 173.10 171.63 3ks9 n SER 317 N 0.67 0.07 0.00 1.64 3.41 -0.49 -2.56 113.62 116.36 3ks9 n SER 317 Ca -0.13 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.27 3ks9 n SER 317 Cb 0.52 -0.66 0.50 0.00 -0.26 0.00 0.00 64.21 64.31 3ks9 n SER 317 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ks9 n ASP 318 N -3.56 0.00 -0.17 4.04 5.75 -1.23 -1.60 116.55 119.78 3ks9 n ASP 318 Ca 0.11 0.14 0.17 0.00 -0.01 0.00 0.00 54.79 55.19 3ks9 n ASP 318 Cb 0.37 -0.35 0.52 0.00 -1.03 0.00 0.00 41.12 40.64 3ks9 n ASP 318 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3ks9 h GLY 319 N 3.44 0.67 0.00 6.12 0.00 -1.87 -3.21 103.07 108.22 3ks9 h GLY 319 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3ks9 h GLY 319 CO 0.00 0.04 -0.93 1.87 0.00 0.00 0.00 176.54 177.52 3ks9 n TRP 320 N -4.47 0.59 0.00 5.60 -0.00 -0.63 -2.52 117.44 116.01 3ks9 n TRP 320 Ca 0.15 0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 3ks9 n TRP 320 Cb 0.58 -0.76 0.00 0.00 -0.00 0.00 0.00 31.31 31.13 3ks9 n TRP 320 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ks9 n ALA 321 N -3.90 0.00 -1.49 5.87 0.00 -1.06 -1.66 120.51 118.26 3ks9 n ALA 321 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 3ks9 n ALA 321 Cb 0.45 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.04 3ks9 n ALA 321 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ks9 n ASP 322 N 3.52 4.06 -4.63 0.00 5.75 -1.26 -4.73 116.55 119.25 3ks9 n ASP 322 Ca 0.00 -3.76 -0.43 0.00 -0.01 0.00 0.00 54.79 50.59 3ks9 n ASP 322 Cb 0.00 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.38 3ks9 n ASP 322 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ks9 s ARG 323 N -3.43 3.96 0.37 0.11 0.52 -0.66 -4.91 118.95 114.91 3ks9 s ARG 323 Ca 0.52 1.33 0.04 0.00 -0.52 0.00 0.00 55.73 57.10 3ks9 s ARG 323 Cb 0.44 -3.87 0.71 0.00 0.52 0.00 0.00 34.95 32.75 3ks9 s ARG 323 CO 0.02 -1.07 2.02 -0.44 0.02 0.00 0.00 175.30 175.85 3ks9 h ASP 324 N 9.19 0.62 0.40 0.23 3.32 -1.95 -2.97 116.42 125.27 3ks9 h ASP 324 Ca -0.26 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 3ks9 h ASP 324 Cb 1.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3ks9 h ASP 324 CO 1.02 0.47 -0.19 1.05 -1.72 0.00 0.00 179.24 179.87 3ks9 h GLU 325 N 0.73 0.00 -0.60 3.56 4.11 -1.97 -0.29 114.58 120.13 3ks9 h GLU 325 Ca 0.20 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.54 3ks9 h GLU 325 Cb -0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3ks9 h GLU 325 CO -0.04 0.19 0.03 0.28 0.07 0.00 0.00 179.01 179.54 3ks9 h VAL 326 N 0.00 1.26 -0.01 -1.06 2.07 -1.85 -3.32 116.25 113.34 3ks9 h VAL 326 Ca -0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3ks9 h VAL 326 Cb 0.45 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3ks9 h VAL 326 CO 0.03 0.40 -0.20 2.30 0.02 0.00 0.00 177.57 180.12 3ks9 n ILE 327 N -4.19 0.00 -1.67 4.57 -5.35 -1.00 -4.44 119.36 107.27 3ks9 n ILE 327 Ca 0.03 -0.40 -0.48 0.00 -0.27 0.00 0.00 62.75 61.63 3ks9 n ILE 327 Cb 0.33 1.19 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 3ks9 n ILE 327 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3ks9 n GLU 328 N 0.05 2.01 -0.86 6.28 0.00 -0.15 -0.61 120.64 127.36 3ks9 n GLU 328 Ca 0.06 0.73 0.00 0.00 0.00 0.00 0.00 57.16 57.95 3ks9 n GLU 328 Cb 0.29 -2.52 0.00 0.00 0.00 0.00 0.00 31.44 29.21 3ks9 n GLU 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ks9 n GLY 329 N 3.85 1.08 1.39 8.31 0.00 -1.26 -4.82 105.19 113.74 3ks9 n GLY 329 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3ks9 n GLY 329 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ks9 n TYR 330 N -2.00 0.00 -0.24 1.61 0.53 0.22 -4.90 117.16 112.38 3ks9 n TYR 330 Ca 0.00 -0.58 -0.04 0.00 -1.02 0.00 0.00 57.90 56.26 3ks9 n TYR 330 Cb 0.00 -0.16 0.14 0.00 -1.03 0.00 0.00 39.34 38.29 3ks9 n TYR 330 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 3ks9 h GLU 331 N 0.97 1.08 -0.72 -0.72 3.07 -1.79 -1.26 114.58 115.21 3ks9 h GLU 331 Ca -0.20 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.50 3ks9 h GLU 331 Cb 1.80 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 29.48 3ks9 h GLU 331 CO 0.09 0.85 0.48 0.28 -1.40 0.00 0.00 179.01 179.30 3ks9 h VAL 332 N 1.06 1.18 -0.11 3.13 2.07 -1.90 -0.34 116.25 121.34 3ks9 h VAL 332 Ca 0.25 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 3ks9 h VAL 332 Cb 0.15 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3ks9 h VAL 332 CO -0.03 0.18 -0.58 -0.33 0.02 0.00 0.00 177.57 176.83 3ks9 h GLU 333 N 0.97 0.35 0.00 1.57 3.07 -1.81 -3.27 114.58 115.47 3ks9 h GLU 333 Ca 0.27 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3ks9 h GLU 333 Cb -0.11 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3ks9 h GLU 333 CO -0.06 0.83 -0.53 0.00 -1.40 0.00 0.00 179.01 177.85 3ks9 h ALA 334 N 1.12 0.71 -1.48 3.43 0.00 -0.83 -3.42 119.26 118.78 3ks9 h ALA 334 Ca -0.00 -0.41 -0.71 0.00 0.00 0.00 0.00 54.91 53.79 3ks9 h ALA 334 Cb 1.09 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 18.90 3ks9 h ALA 334 CO 0.10 0.54 0.31 -1.71 0.00 0.00 0.00 179.25 178.49 3ks9 n ASN 335 N -3.16 1.11 0.00 0.00 5.15 -0.17 -1.35 115.26 116.84 3ks9 n ASN 335 Ca 0.01 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 3ks9 n ASN 335 Cb 0.71 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 3ks9 n ASN 335 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ks9 n GLY 336 N 2.18 1.85 3.69 8.20 0.00 -0.33 -4.88 105.19 115.90 3ks9 n GLY 336 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3ks9 n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks9 n GLY 337 N -2.00 0.45 3.44 -0.02 0.00 -0.46 -4.67 105.19 101.93 3ks9 n GLY 337 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3ks9 n GLY 337 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ks9 s ILE 338 N -1.20 3.43 0.14 -0.61 1.01 0.43 -0.85 121.20 123.55 3ks9 s ILE 338 Ca 0.61 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.75 3ks9 s ILE 338 Cb -0.52 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3ks9 s ILE 338 CO 0.58 0.52 -0.04 0.42 0.00 0.00 0.00 174.94 176.42 3ks9 s THR 339 N 0.23 0.76 0.19 2.92 -4.23 -0.16 0.35 115.64 115.70 3ks9 s THR 339 Ca -0.06 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 3ks9 s THR 339 Cb -0.15 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 3ks9 s THR 339 CO 0.04 -0.65 -0.19 0.27 -0.54 0.00 0.00 174.62 173.55 3ks9 s ILE 340 N -3.59 1.95 0.04 2.99 -4.36 -1.06 -0.33 121.20 116.84 3ks9 s ILE 340 Ca 0.19 -2.03 -0.18 0.00 -0.26 0.00 0.00 60.65 58.37 3ks9 s ILE 340 Cb 0.05 -1.96 0.04 0.00 1.25 0.00 0.00 42.46 41.84 3ks9 s ILE 340 CO 0.00 -0.34 0.41 -1.59 0.24 0.00 0.00 174.94 173.67 3ks9 s LYS 341 N -2.97 0.92 0.24 0.37 -2.85 -0.82 -3.54 119.74 111.08 3ks9 s LYS 341 Ca 0.19 -0.37 -0.31 0.00 -1.00 0.00 0.00 55.97 54.47 3ks9 s LYS 341 Cb -0.05 0.41 -0.12 0.00 -2.06 0.00 0.00 37.83 36.00 3ks9 s LYS 341 CO 0.08 -0.31 1.61 1.28 0.10 0.00 0.00 175.35 178.11 3ks9 n LEU 342 N 0.50 3.88 -4.73 2.77 4.77 -1.26 -0.11 117.00 122.81 3ks9 n LEU 342 Ca -0.18 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.49 3ks9 n LEU 342 Cb 0.60 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 3ks9 n LEU 342 CO 0.20 0.01 0.98 -1.10 -1.33 0.00 0.00 177.39 176.15 3ks9 s GLN 343 N 0.29 4.39 -0.46 3.23 -0.21 -0.54 -4.70 119.66 121.67 3ks9 s GLN 343 Ca 0.71 2.01 0.06 0.00 0.02 0.00 0.00 55.36 58.16 3ks9 s GLN 343 Cb -0.55 -3.22 0.19 0.00 1.00 0.00 0.00 33.01 30.43 3ks9 s GLN 343 CO 0.42 -0.26 0.55 -1.13 -2.12 0.00 0.00 175.29 172.75 3ks9 n SER 344 N 2.94 -1.77 -4.76 5.90 3.41 -1.26 -4.98 113.62 113.10 3ks9 n SER 344 Ca 0.07 -2.69 -0.40 0.00 -0.26 0.00 0.00 58.87 55.59 3ks9 n SER 344 Cb 0.43 0.52 0.02 0.00 -0.26 0.00 0.00 64.21 64.93 3ks9 n SER 344 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3ks9 s PRO 345 N 0.30 3.62 0.55 4.33 0.04 -1.26 -4.95 135.00 137.63 3ks9 s PRO 345 Ca 0.32 2.42 -0.21 0.00 0.04 0.00 0.00 61.00 63.56 3ks9 s PRO 345 Cb 0.05 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3ks9 s PRO 345 CO -0.14 -0.87 1.33 0.39 0.04 0.00 0.00 177.00 177.75 3ks9 n GLU 346 N -0.29 1.62 -3.43 4.56 1.02 -1.26 -4.66 120.64 118.20 3ks9 n GLU 346 Ca 0.06 0.60 -0.44 0.00 -0.02 0.00 0.00 57.16 57.36 3ks9 n GLU 346 Cb 0.42 -2.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.22 3ks9 n GLU 346 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ks9 s VAL 347 N -1.30 4.84 0.24 2.62 1.01 -1.26 -4.97 120.40 121.58 3ks9 s VAL 347 Ca 0.72 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3ks9 s VAL 347 Cb -0.42 -4.04 0.21 0.00 0.00 0.00 0.00 36.38 32.12 3ks9 s VAL 347 CO 0.49 -0.72 1.85 -0.09 0.00 0.00 0.00 175.10 176.63 3ks9 h ARG 348 N 8.68 0.94 0.00 2.72 9.65 -1.98 -2.17 114.38 132.23 3ks9 h ARG 348 Ca -0.27 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.54 3ks9 h ARG 348 Cb 1.09 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3ks9 h ARG 348 CO 0.92 0.62 -0.07 0.66 2.80 0.00 0.00 179.97 184.90 3ks9 h SER 349 N 0.97 0.00 -0.25 -3.80 4.64 -2.00 -0.63 113.55 112.49 3ks9 h SER 349 Ca 0.36 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 3ks9 h SER 349 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3ks9 h SER 349 CO -0.16 0.07 -0.04 0.15 -0.87 0.00 0.00 176.83 175.98 3ks9 h PHE 350 N 0.00 0.52 -0.34 4.77 3.57 -1.82 -2.95 116.94 120.69 3ks9 h PHE 350 Ca -0.00 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.41 3ks9 h PHE 350 Cb 0.16 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3ks9 h PHE 350 CO 0.00 0.67 0.20 -0.44 -2.23 0.00 0.00 178.31 176.51 3ks9 h ASP 351 N 0.21 0.33 -1.00 0.41 3.45 -1.09 0.14 116.42 118.87 3ks9 h ASP 351 Ca 0.06 0.00 0.20 0.00 0.43 0.00 0.00 57.03 57.73 3ks9 h ASP 351 Cb 0.49 -0.07 -0.11 0.00 -0.56 0.00 0.00 39.33 39.08 3ks9 h ASP 351 CO 0.02 0.24 0.60 0.44 -1.57 0.00 0.00 179.24 178.97 3ks9 h ASP 352 N 0.41 0.75 0.00 6.45 3.32 -1.31 -0.91 116.42 125.14 3ks9 h ASP 352 Ca 0.13 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3ks9 h ASP 352 Cb -0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3ks9 h ASP 352 CO -0.06 0.23 -0.06 0.22 -1.72 0.00 0.00 179.24 177.85 3ks9 h TYR 353 N 0.72 0.00 -0.30 4.55 3.20 -1.30 -3.38 116.97 120.47 3ks9 h TYR 353 Ca 0.59 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.44 3ks9 h TYR 353 Cb 0.97 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3ks9 h TYR 353 CO -0.01 0.84 0.10 0.35 -1.64 0.00 0.00 178.16 177.80 3ks9 h PHE 354 N -1.00 0.48 0.00 -3.82 3.57 -0.48 -2.77 116.94 112.92 3ks9 h PHE 354 Ca -0.02 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3ks9 h PHE 354 Cb 0.84 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3ks9 h PHE 354 CO 0.22 0.49 0.00 1.28 -2.23 0.00 0.00 178.31 178.07 3ks9 n LEU 355 N -4.70 0.53 -0.62 0.59 4.77 -0.37 -1.94 117.00 115.26 3ks9 n LEU 355 Ca -0.02 0.69 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 3ks9 n LEU 355 Cb 0.16 -0.70 0.13 0.00 -2.33 0.00 0.00 43.42 40.68 3ks9 n LEU 355 CO 0.37 -0.74 0.51 0.29 -1.33 0.00 0.00 177.39 176.48 3ks9 n LYS 356 N -2.15 1.58 -2.00 3.23 5.02 -1.05 -4.56 118.16 118.23 3ks9 n LYS 356 Ca 0.00 -1.24 -0.38 0.00 -2.02 0.00 0.00 58.31 54.67 3ks9 n LYS 356 Cb 0.11 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 3ks9 n LYS 356 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ks9 s LEU 357 N -2.28 3.99 -0.00 -0.35 1.43 -0.82 -5.04 118.68 115.62 3ks9 s LEU 357 Ca 0.24 2.59 0.05 0.00 -1.03 0.00 0.00 54.13 55.98 3ks9 s LEU 357 Cb 0.19 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 3ks9 s LEU 357 CO 0.45 -1.18 -0.16 -0.13 0.23 0.00 0.00 176.35 175.56 3ks9 s ARG 358 N -2.68 1.25 0.22 1.70 0.52 -1.26 -4.93 118.95 113.77 3ks9 s ARG 358 Ca 0.65 -0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 3ks9 s ARG 358 Cb -0.36 -1.23 0.32 0.00 0.52 0.00 0.00 34.95 34.20 3ks9 s ARG 358 CO 0.44 0.33 1.78 1.25 0.02 0.00 0.00 175.30 179.12 3ks9 h LEU 359 N 5.58 0.47 -0.80 2.53 5.85 -1.94 -1.29 115.31 125.70 3ks9 h LEU 359 Ca -0.36 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 3ks9 h LEU 359 Cb 1.16 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3ks9 h LEU 359 CO 0.48 0.27 -0.57 -2.24 -0.34 0.00 0.00 178.44 176.04 3ks9 h ASP 360 N 0.61 0.08 0.00 1.25 3.04 -1.96 -3.28 116.42 116.16 3ks9 h ASP 360 Ca 0.34 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 54.08 3ks9 h ASP 360 Cb 0.34 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 3ks9 h ASP 360 CO -0.25 0.64 -1.22 0.35 -2.04 0.00 0.00 179.24 176.72 3ks9 n THR 361 N -3.87 0.00 -2.69 1.15 -2.24 -1.13 -4.75 114.28 100.75 3ks9 n THR 361 Ca -0.02 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3ks9 n THR 361 Cb 0.58 0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3ks9 n THR 361 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ks9 s ASN 362 N -3.29 6.87 0.11 3.42 3.84 -0.50 -4.74 114.94 120.66 3ks9 s ASN 362 Ca 0.03 -2.52 0.17 0.00 0.21 0.00 0.00 52.86 50.76 3ks9 s ASN 362 Cb 0.14 -2.52 -0.09 0.00 -0.55 0.00 0.00 41.25 38.23 3ks9 s ASN 362 CO 0.82 -1.07 0.94 0.71 -2.79 0.00 0.00 177.10 175.71 3ks9 h THR 363 N 5.41 0.50 0.00 -5.21 1.35 -1.86 -3.37 112.91 109.73 3ks9 h THR 363 Ca 0.38 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3ks9 h THR 363 Cb 0.89 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3ks9 h THR 363 CO 1.39 0.28 0.00 0.08 -0.25 0.00 0.00 175.52 177.02 3ks9 h ARG 364 N 0.00 0.00 -4.84 4.72 0.11 -1.95 -3.40 114.38 109.02 3ks9 h ARG 364 Ca -0.12 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.26 3ks9 h ARG 364 Cb 1.49 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.39 3ks9 h ARG 364 CO 0.04 0.00 -0.03 1.21 0.10 0.00 0.00 179.97 181.29 3ks9 s ASN 365 N -6.02 6.21 0.26 0.08 3.84 -1.26 -4.32 114.94 113.73 3ks9 s ASN 365 Ca 0.05 -0.97 0.24 0.00 0.21 0.00 0.00 52.86 52.39 3ks9 s ASN 365 Cb 0.06 -2.27 0.96 0.00 -0.55 0.00 0.00 41.25 39.46 3ks9 s ASN 365 CO 0.62 -0.83 1.73 -0.81 -2.79 0.00 0.00 177.10 175.02 3ks9 n PRO 366 N 5.96 0.21 0.00 0.43 -0.04 -1.26 -2.30 135.00 138.01 3ks9 n PRO 366 Ca -0.08 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3ks9 n PRO 366 Cb 0.45 -1.87 0.32 0.00 -0.04 0.00 0.00 33.50 32.36 3ks9 n PRO 366 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3ks9 n TRP 367 N -2.27 0.00 -0.24 0.54 8.01 -1.26 -4.51 117.44 117.71 3ks9 n TRP 367 Ca 0.03 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.18 3ks9 n TRP 367 Cb 0.26 -0.03 0.13 0.00 -2.01 0.00 0.00 31.31 29.66 3ks9 n TRP 367 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 3ks9 h PHE 368 N 2.57 1.09 -0.17 -5.99 3.57 -1.80 -1.39 116.94 114.82 3ks9 h PHE 368 Ca 0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3ks9 h PHE 368 Cb 0.65 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3ks9 h PHE 368 CO 0.00 0.82 0.11 -1.35 -2.23 0.00 0.00 178.31 175.65 3ks9 h PRO 369 N 1.05 0.23 -0.87 6.41 0.11 -1.82 0.67 132.00 137.79 3ks9 h PRO 369 Ca 0.25 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.43 3ks9 h PRO 369 Cb 0.18 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 3ks9 h PRO 369 CO -0.02 0.19 0.52 1.49 -0.21 0.00 0.00 178.00 179.97 3ks9 h GLU 370 N 0.21 0.86 0.01 1.05 4.81 -1.81 -2.65 114.58 117.06 3ks9 h GLU 370 Ca 0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ks9 h GLU 370 Cb 0.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3ks9 h GLU 370 CO -0.01 0.57 -0.01 0.35 -0.73 0.00 0.00 179.01 179.18 3ks9 h PHE 371 N 0.89 -0.02 -0.60 0.92 3.57 -1.00 -2.83 116.94 117.87 3ks9 h PHE 371 Ca 0.41 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.96 3ks9 h PHE 371 Cb 0.32 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3ks9 h PHE 371 CO -0.04 0.20 0.31 2.35 -2.23 0.00 0.00 178.31 178.90 3ks9 h TRP 372 N -0.23 0.57 -0.60 0.41 2.91 -0.64 0.32 115.95 118.69 3ks9 h TRP 372 Ca -0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3ks9 h TRP 372 Cb 0.22 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.68 3ks9 h TRP 372 CO -0.00 0.26 0.34 1.96 -1.03 0.00 0.00 178.44 179.97 3ks9 h GLN 373 N 0.58 0.83 -0.33 2.65 4.20 -1.54 -1.09 115.11 120.41 3ks9 h GLN 373 Ca 0.27 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 3ks9 h GLN 373 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3ks9 h GLN 373 CO -0.19 0.62 -0.16 1.25 -0.67 0.00 0.00 178.83 179.69 3ks9 h HIS 374 N 0.81 0.80 -0.70 2.96 2.76 -1.14 -0.73 115.15 119.90 3ks9 h HIS 374 Ca 0.21 -0.20 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3ks9 h HIS 374 Cb 0.03 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3ks9 h HIS 374 CO -0.01 0.90 0.20 -0.09 -1.30 0.00 0.00 177.93 177.63 3ks9 h ARG 375 N 0.46 1.10 -0.27 5.26 9.65 -0.23 -3.06 114.38 127.29 3ks9 h ARG 375 Ca 0.07 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.68 3ks9 h ARG 375 Cb 0.69 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3ks9 h ARG 375 CO 0.05 0.96 -0.00 1.19 2.80 0.00 0.00 179.97 184.96 3ks9 n PHE 376 N -4.28 0.94 -3.67 2.20 3.01 -0.43 -4.99 117.46 110.25 3ks9 n PHE 376 Ca 0.05 -0.97 -0.25 0.00 1.01 0.00 0.00 57.45 57.29 3ks9 n PHE 376 Cb 0.24 -0.33 0.01 0.00 -0.01 0.00 0.00 39.48 39.38 3ks9 n PHE 376 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3ks9 n GLN 377 N -0.63 -0.83 -4.11 -1.08 6.02 -0.40 -4.93 117.38 111.42 3ks9 n GLN 377 Ca 0.23 0.27 -0.15 0.00 -0.01 0.00 0.00 57.00 57.34 3ks9 n GLN 377 Cb 0.91 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 30.58 3ks9 n GLN 377 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ks9 s ARG 379 N -3.27 1.01 -0.45 0.00 1.70 0.49 -4.56 118.95 113.86 3ks9 s ARG 379 Ca 0.32 -1.14 -0.12 0.00 -0.47 0.00 0.00 55.73 54.32 3ks9 s ARG 379 Cb 0.00 -1.06 0.09 0.00 -0.57 0.00 0.00 34.95 33.41 3ks9 s ARG 379 CO 0.19 0.23 0.33 -0.51 -1.08 0.00 0.00 175.30 174.47 3ks9 s LEU 380 N -2.07 5.46 -0.06 -1.89 1.43 -1.26 -1.69 118.68 118.59 3ks9 s LEU 380 Ca 0.05 -1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 51.34 3ks9 s LEU 380 Cb -0.08 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 3ks9 s LEU 380 CO 0.03 -0.62 1.71 -2.16 0.23 0.00 0.00 176.35 175.55 3ks9 s PRO 381 N 1.50 4.11 0.00 1.29 0.04 -1.26 -4.97 135.00 135.71 3ks9 s PRO 381 Ca 0.04 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3ks9 s PRO 381 Cb -0.24 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.27 3ks9 s PRO 381 CO 0.03 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3ks9 n GLY 382 N 4.29 1.33 0.00 0.56 0.00 -1.26 -5.21 105.19 104.91 3ks9 n GLY 382 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ks9 n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ks9 n PRO 388 N 0.00 0.09 -0.00 1.61 -0.02 -1.26 -5.29 135.00 130.13 3ks9 n PRO 388 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 3ks9 n PRO 388 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 33.50 33.43 3ks9 n PRO 388 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ks9 n ASN 389 N 0.00 1.88 -4.72 2.55 4.13 -1.26 -5.06 115.26 112.79 3ks9 n ASN 389 Ca 0.00 -0.33 -0.29 0.00 1.68 0.00 0.00 54.58 55.64 3ks9 n ASN 389 Cb 0.00 1.13 -0.07 0.00 -1.54 0.00 0.00 39.78 39.30 3ks9 n ASN 389 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ks9 s PHE 390 N -1.97 3.02 -0.09 3.10 0.40 -1.26 -5.06 117.98 116.12 3ks9 s PHE 390 Ca 0.00 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.09 3ks9 s PHE 390 Cb 0.04 -1.51 -0.28 0.00 0.51 0.00 0.00 43.02 41.78 3ks9 s PHE 390 CO 0.25 0.50 0.71 0.87 0.70 0.00 0.00 175.22 178.24 3ks9 h LYS 391 N 3.08 0.21 -6.99 0.44 1.57 -1.93 -3.41 116.57 109.55 3ks9 h LYS 391 Ca -0.47 -0.36 -0.54 0.00 -1.87 0.00 0.00 60.65 57.40 3ks9 h LYS 391 Cb 1.18 0.13 0.12 0.00 0.08 0.00 0.00 32.23 33.74 3ks9 h LYS 391 CO 0.61 1.17 0.71 0.50 -0.57 0.00 0.00 179.45 181.87 3ks9 s ARG 392 N -2.41 3.72 -0.19 3.15 3.52 -1.26 -4.83 118.95 120.65 3ks9 s ARG 392 Ca -0.18 2.44 -0.14 0.00 -0.13 0.00 0.00 55.73 57.72 3ks9 s ARG 392 Cb 0.02 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 3ks9 s ARG 392 CO 0.77 -0.80 0.33 0.42 -0.81 0.00 0.00 175.30 175.21 3ks9 s ILE 393 N -1.19 5.26 0.42 4.11 1.09 -1.26 -0.38 121.20 129.24 3ks9 s ILE 393 Ca 0.60 0.59 -0.26 0.00 -1.10 0.00 0.00 60.65 60.48 3ks9 s ILE 393 Cb -0.44 -3.67 -0.09 0.00 -1.06 0.00 0.00 42.46 37.20 3ks9 s ILE 393 CO 0.57 0.31 1.42 0.00 -0.10 0.00 0.00 174.94 177.14 3ks9 n THR 395 N 0.08 1.53 -0.62 0.00 -2.24 -1.26 -4.97 114.28 106.80 3ks9 n THR 395 Ca 0.03 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3ks9 n THR 395 Cb 0.41 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3ks9 n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ks9 n GLY 396 N 1.59 1.04 0.86 3.38 0.00 -1.26 -4.89 105.19 105.91 3ks9 n GLY 396 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 3ks9 n GLY 396 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ks9 n ASN 397 N 0.00 3.11 -4.69 1.61 3.02 -1.26 -4.58 115.26 112.47 3ks9 n ASN 397 Ca 0.00 -1.93 -0.31 0.00 -0.03 0.00 0.00 54.58 52.31 3ks9 n ASN 397 Cb 0.00 -0.26 0.15 0.00 -0.61 0.00 0.00 39.78 39.06 3ks9 n ASN 397 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ks9 s GLU 398 N -1.07 1.21 -0.21 3.52 8.01 -1.26 -5.01 118.70 123.89 3ks9 s GLU 398 Ca 0.30 1.46 -0.04 0.00 0.01 0.00 0.00 54.97 56.70 3ks9 s GLU 398 Cb 0.16 -1.76 -0.02 0.00 -4.31 0.00 0.00 34.13 28.21 3ks9 s GLU 398 CO 0.22 -2.47 -0.02 0.45 0.01 0.00 0.00 175.26 173.46 3ks9 s SER 399 N -2.81 4.60 0.33 -0.19 0.15 -1.26 -4.97 113.70 109.55 3ks9 s SER 399 Ca 0.66 -0.28 0.25 0.00 0.70 0.00 0.00 55.95 57.28 3ks9 s SER 399 Cb -0.22 -1.79 1.13 0.00 -1.71 0.00 0.00 66.02 63.44 3ks9 s SER 399 CO 0.58 0.03 1.77 -0.07 1.20 0.00 0.00 173.24 176.74 3ks9 h LEU 400 N 7.76 0.00 -2.00 3.45 3.38 -1.92 -2.24 115.31 123.74 3ks9 h LEU 400 Ca -0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3ks9 h LEU 400 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ks9 h LEU 400 CO 0.60 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.71 3ks9 h GLU 401 N 0.00 0.00 -6.04 1.13 5.08 -1.93 -3.39 114.58 109.43 3ks9 h GLU 401 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3ks9 h GLU 401 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ks9 h GLU 401 CO 0.00 0.09 1.46 -1.91 -1.00 0.00 0.00 179.01 177.65 3ks9 n GLU 402 N -3.49 2.09 -1.71 2.33 2.13 -0.85 -2.01 120.64 119.14 3ks9 n GLU 402 Ca -0.02 0.61 -0.19 0.00 0.66 0.00 0.00 57.16 58.22 3ks9 n GLU 402 Cb 0.22 -3.21 -0.07 0.00 0.27 0.00 0.00 31.44 28.66 3ks9 n GLU 402 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ks9 n ASN 403 N 11.11 -5.30 -4.73 4.31 3.02 -1.26 -4.92 115.26 117.49 3ks9 n ASN 403 Ca 0.29 0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 54.78 3ks9 n ASN 403 Cb 0.44 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.15 3ks9 n ASN 403 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ks9 s TYR 404 N -2.75 3.04 -0.04 3.10 5.04 -0.85 -5.03 117.35 119.87 3ks9 s TYR 404 Ca 0.00 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 3ks9 s TYR 404 Cb 0.00 -3.86 0.03 0.00 0.35 0.00 0.00 41.96 38.48 3ks9 s TYR 404 CO 0.00 -2.97 -0.01 0.08 -1.34 0.00 0.00 175.55 171.31 3ks9 s VAL 405 N 0.52 0.29 0.14 3.14 1.01 -1.26 -5.09 120.40 119.15 3ks9 s VAL 405 Ca 0.64 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 3ks9 s VAL 405 Cb -0.42 -0.37 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 3ks9 s VAL 405 CO 0.38 0.18 1.07 -1.58 0.00 0.00 0.00 175.10 175.14 3ks9 s GLN 406 N 1.10 4.61 -0.33 2.72 0.74 -1.26 -4.90 119.66 122.34 3ks9 s GLN 406 Ca -0.09 1.64 -0.44 0.00 0.05 0.00 0.00 55.36 56.52 3ks9 s GLN 406 Cb -0.14 -3.32 -0.20 0.00 1.10 0.00 0.00 33.01 30.46 3ks9 s GLN 406 CO -0.01 0.08 1.46 -3.47 -0.55 0.00 0.00 175.29 172.80 3ks9 n ASP 407 N 2.66 0.99 0.21 6.67 4.64 -1.26 -4.82 116.55 125.63 3ks9 n ASP 407 Ca 0.03 1.17 0.15 0.00 -1.38 0.00 0.00 54.79 54.76 3ks9 n ASP 407 Cb 0.47 -0.92 0.70 0.00 -1.04 0.00 0.00 41.12 40.33 3ks9 n ASP 407 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3ks9 h SER 408 N 4.62 0.00 -0.57 1.67 4.64 -1.93 -2.18 113.55 119.80 3ks9 h SER 408 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ks9 h SER 408 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3ks9 h SER 408 CO 0.88 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.13 3ks9 n LYS 409 N -2.56 2.64 -0.20 4.77 4.76 -1.26 -4.66 118.16 121.66 3ks9 n LYS 409 Ca -0.00 -2.43 0.00 0.00 -2.87 0.00 0.00 58.31 53.01 3ks9 n LYS 409 Cb 0.14 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 31.95 3ks9 n LYS 409 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 3ks9 h MET 410 N 3.88 0.29 -0.99 1.97 4.05 -1.76 -0.61 114.93 121.75 3ks9 h MET 410 Ca 0.00 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 3ks9 h MET 410 Cb 0.93 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.61 3ks9 h MET 410 CO 0.00 0.19 0.65 0.78 0.23 0.00 0.00 176.91 178.76 3ks9 h GLY 411 N 0.29 1.45 1.39 1.39 0.00 -1.83 -1.68 103.07 104.09 3ks9 h GLY 411 Ca 0.31 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3ks9 h GLY 411 CO -0.37 0.41 -0.39 0.74 0.00 0.00 0.00 176.54 176.93 3ks9 h PHE 412 N 1.24 0.80 0.04 5.60 0.04 -1.46 -1.70 116.94 121.51 3ks9 h PHE 412 Ca 0.40 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3ks9 h PHE 412 Cb 0.02 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 3ks9 h PHE 412 CO -0.00 0.96 -0.04 0.28 -0.60 0.00 0.00 178.31 178.90 3ks9 h VAL 413 N 0.55 0.90 -0.51 -0.55 2.07 -0.64 -1.16 116.25 116.91 3ks9 h VAL 413 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ks9 h VAL 413 Cb 0.92 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3ks9 h VAL 413 CO 0.08 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.29 3ks9 h ILE 414 N -0.10 1.21 -0.23 4.57 2.04 -1.31 -2.71 117.51 120.98 3ks9 h ILE 414 Ca 0.00 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3ks9 h ILE 414 Cb 0.10 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3ks9 h ILE 414 CO -0.01 0.24 -0.12 0.78 0.00 0.00 0.00 178.15 179.04 3ks9 h ASN 415 N 0.67 0.36 -0.31 1.72 2.35 -1.14 -1.32 115.58 117.91 3ks9 h ASN 415 Ca 0.17 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3ks9 h ASN 415 Cb 0.17 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3ks9 h ASN 415 CO -0.02 0.51 0.01 0.00 -1.65 0.00 0.00 177.43 176.28 3ks9 h ALA 416 N 1.53 1.25 -0.05 -0.83 0.00 -0.94 0.94 119.26 121.16 3ks9 h ALA 416 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ks9 h ALA 416 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ks9 h ALA 416 CO 0.02 0.50 -0.18 0.82 0.00 0.00 0.00 179.25 180.41 3ks9 h ILE 417 N 0.62 1.45 -0.93 0.00 2.04 -1.08 -2.46 117.51 117.15 3ks9 h ILE 417 Ca 0.13 -1.61 0.13 0.00 1.00 0.00 0.00 64.86 64.51 3ks9 h ILE 417 Cb 0.38 2.37 -0.09 0.00 -0.74 0.00 0.00 36.82 38.74 3ks9 h ILE 417 CO 0.01 0.45 0.55 1.88 0.00 0.00 0.00 178.15 181.04 3ks9 h TYR 418 N -0.33 0.99 -0.54 1.37 -1.99 -1.17 -1.03 116.97 114.28 3ks9 h TYR 418 Ca -0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.81 3ks9 h TYR 418 Cb 0.82 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 39.20 3ks9 h TYR 418 CO 0.13 0.33 0.25 0.00 -0.00 0.00 0.00 178.16 178.88 3ks9 h ALA 419 N 1.55 0.70 -0.47 3.88 0.00 -0.66 0.38 119.26 124.64 3ks9 h ALA 419 Ca 0.48 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.44 3ks9 h ALA 419 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ks9 h ALA 419 CO -0.30 -0.11 0.31 1.98 0.00 0.00 0.00 179.25 181.12 3ks9 h MET 420 N 0.48 0.60 -0.67 0.00 1.85 -0.74 -1.06 114.93 115.39 3ks9 h MET 420 Ca 0.25 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.28 3ks9 h MET 420 Cb 0.21 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 3ks9 h MET 420 CO -0.20 0.40 0.33 0.00 -0.40 0.00 0.00 176.91 177.04 3ks9 h ALA 421 N 1.18 1.32 -0.17 0.39 0.00 -0.75 -2.15 119.26 119.09 3ks9 h ALA 421 Ca 0.18 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3ks9 h ALA 421 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3ks9 h ALA 421 CO -0.05 0.53 -0.67 0.45 0.00 0.00 0.00 179.25 179.52 3ks9 h HIS 422 N 0.95 0.86 -0.61 0.00 3.86 -0.56 -1.81 115.15 117.83 3ks9 h HIS 422 Ca 0.23 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3ks9 h HIS 422 Cb 0.08 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3ks9 h HIS 422 CO 0.01 1.13 0.40 0.78 0.86 0.00 0.00 177.93 181.12 3ks9 h GLY 423 N 0.89 0.87 0.94 2.45 0.00 -0.94 -1.11 103.07 106.17 3ks9 h GLY 423 Ca -0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3ks9 h GLY 423 CO 0.13 0.32 0.05 1.41 0.00 0.00 0.00 176.54 178.45 3ks9 h LEU 424 N 0.83 0.67 -0.33 3.11 3.38 -1.35 -0.60 115.31 121.02 3ks9 h LEU 424 Ca 0.22 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ks9 h LEU 424 Cb -0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ks9 h LEU 424 CO -0.05 0.77 0.19 -0.61 0.09 0.00 0.00 178.44 178.84 3ks9 h GLN 425 N 0.54 0.39 -0.81 1.13 4.15 -1.17 -0.84 115.11 118.50 3ks9 h GLN 425 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3ks9 h GLN 425 Cb 0.40 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3ks9 h GLN 425 CO 0.01 0.26 0.52 -0.91 -1.93 0.00 0.00 178.83 176.77 3ks9 h ASN 426 N 0.40 0.95 -0.38 -0.69 2.35 -1.11 -1.21 115.58 115.89 3ks9 h ASN 426 Ca 0.13 -0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3ks9 h ASN 426 Cb -0.01 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3ks9 h ASN 426 CO -0.05 0.71 0.13 -0.03 -1.65 0.00 0.00 177.43 176.54 3ks9 h MET 427 N 1.11 0.28 -0.58 0.81 1.85 -0.70 -2.25 114.93 115.45 3ks9 h MET 427 Ca 0.29 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.36 3ks9 h MET 427 Cb -0.09 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 3ks9 h MET 427 CO -0.06 0.18 0.34 1.25 -0.40 0.00 0.00 176.91 178.22 3ks9 h HIS 428 N 0.29 0.77 -0.97 1.39 -0.00 -0.66 0.12 115.15 116.09 3ks9 h HIS 428 Ca 0.18 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.60 3ks9 h HIS 428 Cb 0.16 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.25 3ks9 h HIS 428 CO -0.15 0.54 0.63 0.45 -0.00 0.00 0.00 177.93 179.40 3ks9 h HIS 429 N 0.78 1.14 0.20 5.26 -0.00 -0.99 0.14 115.15 121.68 3ks9 h HIS 429 Ca 0.21 0.03 -0.34 0.00 -0.00 0.00 0.00 60.37 60.27 3ks9 h HIS 429 Cb 0.00 -0.38 0.02 0.00 -0.00 0.00 0.00 27.41 27.05 3ks9 h HIS 429 CO -0.02 0.59 -1.63 0.00 -0.00 0.00 0.00 177.93 176.87 3ks9 h ALA 430 N 1.48 0.08 0.00 2.45 0.00 -0.89 -3.31 119.26 119.06 3ks9 h ALA 430 Ca 0.42 -1.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.10 3ks9 h ALA 430 Cb 0.19 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ks9 h ALA 430 CO -0.17 0.95 -2.08 1.28 0.00 0.00 0.00 179.25 179.23 3ks9 n LEU 431 N -3.60 0.12 -2.47 0.00 4.77 0.35 -4.53 117.00 111.64 3ks9 n LEU 431 Ca -0.21 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.62 3ks9 n LEU 431 Cb 1.08 0.22 0.01 0.00 -2.33 0.00 0.00 43.42 42.40 3ks9 n LEU 431 CO 0.54 0.23 0.10 0.00 -1.33 0.00 0.00 177.39 176.93 3ks9 s PRO 433 N -3.47 4.18 0.00 0.00 0.04 -1.23 -2.09 135.00 132.43 3ks9 s PRO 433 Ca 0.42 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.92 3ks9 s PRO 433 Cb 0.41 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3ks9 s PRO 433 CO -0.09 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.80 3ks9 n GLY 434 N 2.44 0.63 3.89 0.56 0.00 -1.26 -5.01 105.19 106.44 3ks9 n GLY 434 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3ks9 n GLY 434 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ks9 s HIS 435 N -2.79 3.48 -0.31 1.61 3.76 -0.89 -5.07 115.29 115.07 3ks9 s HIS 435 Ca 0.00 0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 55.44 3ks9 s HIS 435 Cb 0.00 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.57 3ks9 s HIS 435 CO 0.00 0.40 0.35 0.08 -0.85 0.00 0.00 174.74 174.72 3ks9 s VAL 436 N -1.66 5.18 0.00 -0.90 1.01 -1.26 -4.95 120.40 117.82 3ks9 s VAL 436 Ca 0.42 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3ks9 s VAL 436 Cb -0.12 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3ks9 s VAL 436 CO 0.23 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3ks9 n GLY 437 N 4.89 -1.35 3.76 4.51 0.00 -1.26 -4.86 105.19 110.87 3ks9 n GLY 437 Ca -0.09 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 3ks9 n GLY 437 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ks9 s LEU 438 N 0.00 4.44 0.48 0.99 1.43 -1.26 -5.02 118.68 119.74 3ks9 s LEU 438 Ca 0.00 2.58 0.06 0.00 -1.03 0.00 0.00 54.13 55.74 3ks9 s LEU 438 Cb 0.00 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 3ks9 s LEU 438 CO 0.00 -0.48 0.26 0.00 0.23 0.00 0.00 176.35 176.36 3ks9 h ASP 440 N 1.11 0.58 0.06 0.00 5.19 -1.95 0.11 116.42 121.52 3ks9 h ASP 440 Ca -0.40 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.07 3ks9 h ASP 440 Cb 1.28 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.75 3ks9 h ASP 440 CO 0.64 0.22 -0.00 0.00 -3.12 0.00 0.00 179.24 176.98 3ks9 h ALA 441 N 1.62 1.13 -0.30 3.45 0.00 -1.92 -1.11 119.26 122.13 3ks9 h ALA 441 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3ks9 h ALA 441 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ks9 h ALA 441 CO -0.26 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.66 3ks9 n MET 442 N -3.27 3.16 -3.79 0.00 2.81 0.37 -4.63 117.12 111.76 3ks9 n MET 442 Ca -0.03 -2.89 -0.30 0.00 -1.81 0.00 0.00 57.70 52.68 3ks9 n MET 442 Cb 0.09 -1.90 -0.14 0.00 -0.71 0.00 0.00 33.22 30.56 3ks9 n MET 442 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ks9 s LYS 443 N -2.82 1.36 0.75 0.03 1.02 -0.42 -2.61 119.74 117.05 3ks9 s LYS 443 Ca 0.44 -1.98 -0.08 0.00 0.02 0.00 0.00 55.97 54.36 3ks9 s LYS 443 Cb 0.35 -2.57 0.08 0.00 -0.52 0.00 0.00 37.83 35.17 3ks9 s LYS 443 CO 0.10 -1.10 1.07 -1.25 -0.92 0.00 0.00 175.35 173.24 3ks9 s PRO 444 N 0.46 1.95 0.11 -1.68 0.04 -1.26 -4.92 135.00 129.70 3ks9 s PRO 444 Ca 0.16 -0.29 -0.31 0.00 0.04 0.00 0.00 61.00 60.60 3ks9 s PRO 444 Cb -0.23 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3ks9 s PRO 444 CO -0.04 -1.44 1.54 0.42 0.04 0.00 0.00 177.00 177.52 3ks9 s ILE 445 N -3.36 2.97 -0.54 0.56 1.01 -1.07 -4.95 121.20 115.81 3ks9 s ILE 445 Ca 0.62 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.63 3ks9 s ILE 445 Cb -0.10 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 39.02 3ks9 s ILE 445 CO 0.46 0.03 1.00 -0.62 0.00 0.00 0.00 174.94 175.81 3ks9 s ASP 446 N 1.55 6.39 0.34 3.58 -1.08 -1.26 -4.93 116.67 121.27 3ks9 s ASP 446 Ca 0.69 -0.17 0.03 0.00 -0.52 0.00 0.00 52.55 52.58 3ks9 s ASP 446 Cb -0.40 -2.47 0.64 0.00 -1.46 0.00 0.00 42.92 39.23 3ks9 s ASP 446 CO 0.31 -1.26 1.98 1.23 0.52 0.00 0.00 175.17 177.94 3ks9 h GLY 447 N 11.15 0.99 1.30 2.66 0.00 -1.91 0.36 103.07 117.60 3ks9 h GLY 447 Ca -0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 3ks9 h GLY 447 CO 1.10 0.30 -0.02 1.48 0.00 0.00 0.00 176.54 179.41 3ks9 h SER 448 N 0.87 0.82 -0.10 0.19 4.64 -1.92 -1.61 113.55 116.45 3ks9 h SER 448 Ca 0.28 -0.22 -0.22 0.00 -0.47 0.00 0.00 61.79 61.16 3ks9 h SER 448 Cb 0.04 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3ks9 h SER 448 CO -0.08 0.90 -0.80 0.11 -0.87 0.00 0.00 176.83 176.09 3ks9 h LYS 449 N 0.79 0.72 -0.69 4.77 1.57 -1.74 -3.16 116.57 118.82 3ks9 h LYS 449 Ca 0.15 -0.64 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 3ks9 h LYS 449 Cb 0.50 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 3ks9 h LYS 449 CO 0.03 1.24 0.46 1.25 -0.57 0.00 0.00 179.45 181.86 3ks9 h LEU 450 N 0.41 0.68 0.24 2.94 5.85 -0.73 -2.15 115.31 122.55 3ks9 h LEU 450 Ca -0.07 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3ks9 h LEU 450 Cb 1.45 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3ks9 h LEU 450 CO 0.16 0.46 -0.28 0.25 -0.34 0.00 0.00 178.44 178.69 3ks9 h LEU 451 N 0.79 -0.77 -0.69 2.25 5.85 -1.27 0.27 115.31 121.73 3ks9 h LEU 451 Ca 0.29 0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.23 3ks9 h LEU 451 Cb 0.15 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.32 3ks9 h LEU 451 CO -0.09 -0.40 -0.08 0.44 -0.34 0.00 0.00 178.44 177.98 3ks9 h ASP 452 N -0.57 -0.46 -0.67 1.25 3.32 -1.45 -1.67 116.42 116.16 3ks9 h ASP 452 Ca 0.00 0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3ks9 h ASP 452 Cb 0.54 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3ks9 h ASP 452 CO -0.09 -0.19 0.15 -0.26 -1.72 0.00 0.00 179.24 177.13 3ks9 h PHE 453 N 0.06 1.15 -0.29 4.55 0.04 -0.97 -3.02 116.94 118.45 3ks9 h PHE 453 Ca 0.35 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 3ks9 h PHE 453 Cb 0.58 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3ks9 h PHE 453 CO -0.47 0.95 0.18 -0.07 -0.60 0.00 0.00 178.31 178.30 3ks9 h LEU 454 N 1.02 0.36 -1.63 1.54 3.38 -0.57 -2.22 115.31 117.17 3ks9 h LEU 454 Ca 0.21 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3ks9 h LEU 454 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3ks9 h LEU 454 CO 0.01 0.31 0.30 0.40 0.09 0.00 0.00 178.44 179.55 3ks9 h ILE 455 N 0.37 1.03 -0.07 1.22 1.08 -1.22 -1.17 117.51 118.76 3ks9 h ILE 455 Ca 0.11 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3ks9 h ILE 455 Cb 0.02 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3ks9 h ILE 455 CO -0.02 0.09 0.00 0.29 -0.69 0.00 0.00 178.15 177.82 3ks9 n LYS 456 N -4.48 1.95 -2.85 2.37 4.76 -1.06 -4.10 118.16 114.74 3ks9 n LYS 456 Ca 0.05 -1.38 -0.33 0.00 -2.87 0.00 0.00 58.31 53.78 3ks9 n LYS 456 Cb 0.17 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 3ks9 n LYS 456 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3ks9 s SER 457 N -1.91 6.94 0.10 4.39 0.01 -0.44 -5.00 113.70 117.77 3ks9 s SER 457 Ca 0.34 1.65 -0.12 0.00 1.31 0.00 0.00 55.95 59.13 3ks9 s SER 457 Cb 0.20 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.92 3ks9 s SER 457 CO 0.31 -0.34 0.28 -0.94 0.41 0.00 0.00 173.24 172.97 3ks9 s SER 458 N -2.17 -0.04 -0.04 2.44 1.04 -1.26 -4.13 113.70 109.54 3ks9 s SER 458 Ca 0.61 -0.47 -0.31 0.00 0.48 0.00 0.00 55.95 56.26 3ks9 s SER 458 Cb -0.09 0.39 0.13 0.00 0.10 0.00 0.00 66.02 66.54 3ks9 s SER 458 CO 0.14 -0.76 1.32 0.72 0.98 0.00 0.00 173.24 175.63 3ks9 s PHE 459 N -3.68 -0.04 -0.27 5.02 -0.12 -0.64 -5.01 117.98 113.25 3ks9 s PHE 459 Ca 0.03 -0.05 -0.19 0.00 -0.05 0.00 0.00 56.93 56.68 3ks9 s PHE 459 Cb 0.03 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 3ks9 s PHE 459 CO -0.10 -0.22 0.55 0.42 -0.05 0.00 0.00 175.22 175.81 3ks9 s ILE 460 N -2.35 5.04 0.68 -4.49 1.01 -1.26 -0.71 121.20 119.11 3ks9 s ILE 460 Ca 0.14 0.92 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 3ks9 s ILE 460 Cb 0.05 -3.87 0.16 0.00 0.01 0.00 0.00 42.46 38.81 3ks9 s ILE 460 CO -0.04 0.04 0.89 0.61 0.00 0.00 0.00 174.94 176.43 3ks9 n GLY 461 N 4.36 -1.50 0.29 6.18 0.00 0.60 -4.88 105.19 110.25 3ks9 n GLY 461 Ca -0.03 -1.68 0.18 0.00 0.00 0.00 0.00 46.02 44.49 3ks9 n GLY 461 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ks9 h VAL 462 N -1.59 0.15 -0.29 1.61 3.04 -1.87 -1.94 116.25 115.36 3ks9 h VAL 462 Ca -0.29 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3ks9 h VAL 462 Cb 0.80 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3ks9 h VAL 462 CO 0.20 0.04 0.00 -1.20 -1.01 0.00 0.00 177.57 175.60 3ks9 n SER 463 N -3.22 3.78 0.00 3.17 7.64 -1.26 -4.96 113.62 118.77 3ks9 n SER 463 Ca -0.01 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.03 3ks9 n SER 463 Cb 0.22 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3ks9 n SER 463 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ks9 n GLY 464 N -0.29 1.01 3.83 0.23 0.00 -0.73 -5.05 105.19 104.19 3ks9 n GLY 464 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3ks9 n GLY 464 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ks9 s GLU 465 N -0.52 4.08 -0.03 1.61 1.03 -1.26 -4.74 118.70 118.87 3ks9 s GLU 465 Ca 0.00 0.96 -0.30 0.00 0.03 0.00 0.00 54.97 55.66 3ks9 s GLU 465 Cb 0.00 -2.22 -0.04 0.00 -0.80 0.00 0.00 34.13 31.07 3ks9 s GLU 465 CO 0.00 -0.08 1.20 -2.00 -1.33 0.00 0.00 175.26 173.05 3ks9 s GLU 466 N -3.47 4.37 -0.20 -4.83 2.12 -1.26 -0.29 118.70 115.14 3ks9 s GLU 466 Ca 0.59 1.70 -0.06 0.00 0.36 0.00 0.00 54.97 57.56 3ks9 s GLU 466 Cb -0.10 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 3ks9 s GLU 466 CO 0.20 -0.40 0.03 0.08 -0.54 0.00 0.00 175.26 174.63 3ks9 s VAL 467 N 1.92 4.22 0.32 3.70 1.01 0.12 -4.89 120.40 126.80 3ks9 s VAL 467 Ca 0.57 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 3ks9 s VAL 467 Cb -0.26 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3ks9 s VAL 467 CO 0.24 0.42 0.61 -1.66 0.00 0.00 0.00 175.10 174.71 3ks9 s TRP 468 N 0.90 0.39 0.00 5.22 1.48 -1.26 -1.63 118.94 124.05 3ks9 s TRP 468 Ca 0.02 -0.83 0.04 0.00 -1.06 0.00 0.00 56.10 54.27 3ks9 s TRP 468 Cb -0.14 0.39 -0.01 0.00 -1.16 0.00 0.00 33.47 32.55 3ks9 s TRP 468 CO 0.02 -1.24 -0.13 -0.06 -4.06 0.00 0.00 176.95 171.48 3ks9 s PHE 469 N -3.23 1.12 0.43 1.66 0.40 -1.26 -4.38 117.98 112.73 3ks9 s PHE 469 Ca 0.21 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.23 3ks9 s PHE 469 Cb -0.03 -0.71 0.10 0.00 0.51 0.00 0.00 43.02 42.89 3ks9 s PHE 469 CO 0.12 -0.01 0.59 -0.40 0.70 0.00 0.00 175.22 176.22 3ks9 n ASP 470 N 2.57 0.12 0.29 1.36 3.85 -0.82 -4.81 116.55 119.11 3ks9 n ASP 470 Ca -0.15 -1.26 0.17 0.00 -0.71 0.00 0.00 54.79 52.85 3ks9 n ASP 470 Cb 0.55 -0.44 0.87 0.00 -1.35 0.00 0.00 41.12 40.75 3ks9 n ASP 470 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3ks9 h GLU 471 N 0.00 0.00 -0.26 0.11 4.11 -1.91 -0.95 114.58 115.68 3ks9 h GLU 471 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3ks9 h GLU 471 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ks9 h GLU 471 CO 0.14 0.04 0.00 1.63 0.07 0.00 0.00 179.01 180.89 3ks9 n LYS 472 N -3.28 1.93 -1.03 1.06 5.02 -1.26 -4.91 118.16 115.69 3ks9 n LYS 472 Ca -0.01 -1.41 -0.01 0.00 -2.02 0.00 0.00 58.31 54.86 3ks9 n LYS 472 Cb 0.21 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3ks9 n LYS 472 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ks9 n GLY 473 N 1.21 0.47 3.86 0.72 0.00 -0.36 -4.83 105.19 106.26 3ks9 n GLY 473 Ca 0.16 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3ks9 n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ks9 s ASP 474 N -2.22 6.70 0.30 1.61 1.01 -1.26 -1.61 116.67 121.20 3ks9 s ASP 474 Ca 0.00 1.13 -0.00 0.00 0.71 0.00 0.00 52.55 54.39 3ks9 s ASP 474 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3ks9 s ASP 474 CO 0.00 -0.17 0.51 0.00 0.21 0.00 0.00 175.17 175.72 3ks9 s ALA 475 N -1.96 3.72 0.83 5.23 0.00 -1.23 -1.94 121.76 126.42 3ks9 s ALA 475 Ca 0.51 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3ks9 s ALA 475 Cb -0.11 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 21.01 3ks9 s ALA 475 CO 0.20 0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.95 3ks9 s PRO 476 N -3.99 1.69 -0.11 0.00 0.04 -1.26 -4.51 135.00 126.86 3ks9 s PRO 476 Ca 0.40 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 3ks9 s PRO 476 Cb -0.10 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3ks9 s PRO 476 CO 0.33 -2.10 -0.10 0.20 0.04 0.00 0.00 177.00 175.37 3ks9 s GLY 477 N -2.99 1.60 -0.15 0.56 0.00 -1.26 -3.98 107.32 101.10 3ks9 s GLY 477 Ca 0.64 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 44.46 3ks9 s GLY 477 CO 0.56 -0.34 0.01 0.50 0.00 0.00 0.00 173.10 173.83 3ks9 s ARG 478 N -0.02 0.80 0.07 2.90 0.52 -1.26 -0.66 118.95 121.31 3ks9 s ARG 478 Ca -0.02 -0.29 0.09 0.00 -0.52 0.00 0.00 55.73 54.99 3ks9 s ARG 478 Cb -0.14 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 3ks9 s ARG 478 CO 0.04 -0.50 -0.23 0.71 0.02 0.00 0.00 175.30 175.33 3ks9 s TYR 479 N 1.84 2.00 0.18 -0.53 1.51 -0.13 -1.46 117.35 120.77 3ks9 s TYR 479 Ca 0.01 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 3ks9 s TYR 479 Cb -0.15 -1.15 -0.08 0.00 -0.11 0.00 0.00 41.96 40.47 3ks9 s TYR 479 CO -0.07 0.17 0.71 -0.51 -1.11 0.00 0.00 175.55 174.74 3ks9 s ASP 480 N -1.52 7.16 -0.19 2.29 1.01 0.84 -1.16 116.67 125.09 3ks9 s ASP 480 Ca 0.09 1.46 -0.06 0.00 0.71 0.00 0.00 52.55 54.74 3ks9 s ASP 480 Cb -0.10 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3ks9 s ASP 480 CO 0.03 0.13 0.04 -0.63 0.21 0.00 0.00 175.17 174.95 3ks9 s ILE 481 N -1.34 4.47 0.20 0.77 -1.09 0.13 -1.94 121.20 122.40 3ks9 s ILE 481 Ca 0.38 -0.15 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 3ks9 s ILE 481 Cb -0.19 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 3ks9 s ILE 481 CO 0.22 0.45 -0.17 -0.04 -1.23 0.00 0.00 174.94 174.17 3ks9 s MET 482 N 0.58 1.36 -0.07 2.79 -1.94 0.55 -0.69 119.30 121.88 3ks9 s MET 482 Ca 0.02 -1.54 -0.02 0.00 -1.71 0.00 0.00 55.69 52.44 3ks9 s MET 482 Cb -0.13 -1.31 0.03 0.00 2.01 0.00 0.00 34.83 35.43 3ks9 s MET 482 CO 0.02 0.24 0.02 1.21 -0.01 0.00 0.00 175.02 176.50 3ks9 s ASN 483 N -3.06 1.59 0.12 3.03 3.04 0.18 -0.99 114.94 118.83 3ks9 s ASN 483 Ca 0.21 -0.11 -0.31 0.00 0.04 0.00 0.00 52.86 52.69 3ks9 s ASN 483 Cb -0.04 -0.37 -0.08 0.00 -1.54 0.00 0.00 41.25 39.23 3ks9 s ASN 483 CO 0.08 -0.22 1.37 -0.22 -3.04 0.00 0.00 177.10 175.07 3ks9 s LEU 484 N 2.02 4.37 -0.01 3.21 2.96 -0.03 -0.86 118.68 130.34 3ks9 s LEU 484 Ca 0.05 2.31 -0.04 0.00 -0.22 0.00 0.00 54.13 56.22 3ks9 s LEU 484 Cb -0.13 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3ks9 s LEU 484 CO -0.05 -0.63 0.09 -1.10 -1.32 0.00 0.00 176.35 173.34 3ks9 s GLN 485 N 1.01 0.28 0.12 1.98 -0.21 -0.38 -1.19 119.66 121.27 3ks9 s GLN 485 Ca 0.64 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 55.53 3ks9 s GLN 485 Cb -0.36 0.12 -0.06 0.00 1.00 0.00 0.00 33.01 33.70 3ks9 s GLN 485 CO 0.31 -0.06 1.11 -0.47 -2.12 0.00 0.00 175.29 174.06 3ks9 s TYR 486 N -0.72 3.57 -0.17 0.91 5.04 -1.26 -1.25 117.35 123.47 3ks9 s TYR 486 Ca -0.08 1.54 -0.10 0.00 -2.44 0.00 0.00 57.07 55.99 3ks9 s TYR 486 Cb -0.05 -3.29 -0.07 0.00 0.35 0.00 0.00 41.96 38.90 3ks9 s TYR 486 CO 0.00 -0.69 -0.23 2.41 -1.34 0.00 0.00 175.55 175.70 3ks9 n THR 487 N 3.02 1.07 0.00 4.34 -1.04 -1.26 -4.95 114.28 115.46 3ks9 n THR 487 Ca 0.05 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3ks9 n THR 487 Cb 0.47 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3ks9 n THR 487 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3ks9 n GLU 488 N -3.87 0.00 0.00 -2.82 0.00 -1.26 -5.10 120.64 107.59 3ks9 n GLU 488 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.85 3ks9 n GLU 488 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.12 3ks9 n GLU 488 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3ks9 n ARG 491 N 0.00 0.00 -4.29 3.44 -4.01 -1.26 -5.18 116.66 105.36 3ks9 n ARG 491 Ca 0.00 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.47 3ks9 n ARG 491 Cb 0.00 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.31 3ks9 n ARG 491 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3ks9 s TYR 492 N -2.04 3.10 0.05 2.89 1.51 -1.26 -4.49 117.35 117.11 3ks9 s TYR 492 Ca 0.00 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 3ks9 s TYR 492 Cb 0.00 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 3ks9 s TYR 492 CO 0.00 0.07 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.85 3ks9 s ASP 493 N 0.24 1.68 -0.72 2.29 -0.00 -0.38 -4.96 116.67 114.81 3ks9 s ASP 493 Ca -0.01 -0.50 -0.27 0.00 -0.00 0.00 0.00 52.55 51.78 3ks9 s ASP 493 Cb -0.13 -0.09 0.02 0.00 -0.00 0.00 0.00 42.92 42.71 3ks9 s ASP 493 CO 0.02 0.01 1.39 -0.31 -0.00 0.00 0.00 175.17 176.28 3ks9 s TYR 494 N -0.95 2.17 -0.11 4.23 1.51 -1.26 -1.25 117.35 121.70 3ks9 s TYR 494 Ca 0.01 0.09 -0.22 0.00 -1.01 0.00 0.00 57.07 55.94 3ks9 s TYR 494 Cb -0.08 -4.53 -0.04 0.00 -0.11 0.00 0.00 41.96 37.20 3ks9 s TYR 494 CO 0.01 -2.12 0.63 0.08 -1.11 0.00 0.00 175.55 173.05 3ks9 s VAL 495 N 6.34 5.08 -0.05 0.71 1.01 -0.04 -4.81 120.40 128.65 3ks9 s VAL 495 Ca 0.41 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 3ks9 s VAL 495 Cb -0.09 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3ks9 s VAL 495 CO 0.15 0.24 1.68 -2.28 0.00 0.00 0.00 175.10 174.89 3ks9 s HIS 496 N 0.98 1.92 -0.09 5.22 2.46 -1.26 -0.65 115.29 123.87 3ks9 s HIS 496 Ca 0.33 0.14 0.01 0.00 0.47 0.00 0.00 55.06 56.01 3ks9 s HIS 496 Cb -0.17 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 3ks9 s HIS 496 CO 0.14 -3.99 0.48 1.33 -2.47 0.00 0.00 174.74 170.23 3ks9 n VAL 497 N 5.48 0.00 -3.95 0.89 0.24 0.14 -4.95 118.33 116.18 3ks9 n VAL 497 Ca 0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3ks9 n VAL 497 Cb 0.43 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 3ks9 n VAL 497 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ks9 n GLY 498 N 0.14 -0.74 3.20 7.63 0.00 -1.17 -1.04 105.19 113.22 3ks9 n GLY 498 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 3ks9 n GLY 498 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ks9 s THR 499 N -3.00 0.14 -0.21 2.61 -4.23 -0.22 -0.70 115.64 110.04 3ks9 s THR 499 Ca 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 3ks9 s THR 499 Cb 0.00 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.55 3ks9 s THR 499 CO 0.00 -0.65 -0.15 0.86 -0.54 0.00 0.00 174.62 174.14 3ks9 s TRP 500 N -3.79 2.92 -0.35 3.99 -0.00 -0.31 -0.63 118.94 120.77 3ks9 s TRP 500 Ca 0.04 -1.68 0.02 0.00 -0.00 0.00 0.00 56.10 54.49 3ks9 s TRP 500 Cb 0.05 -1.96 0.10 0.00 -0.00 0.00 0.00 33.47 31.66 3ks9 s TRP 500 CO -0.11 -0.78 0.10 -1.58 -0.00 0.00 0.00 176.95 174.58 3ks9 s HIS 501 N 1.28 2.75 -1.34 5.86 5.65 0.26 -0.95 115.29 128.79 3ks9 s HIS 501 Ca 0.02 -2.45 -0.03 0.00 0.25 0.00 0.00 55.06 52.85 3ks9 s HIS 501 Cb -0.15 -2.34 0.02 0.00 -1.18 0.00 0.00 32.58 28.93 3ks9 s HIS 501 CO -0.09 -0.90 0.81 0.39 -0.65 0.00 0.00 174.74 174.30 3ks9 n GLU 502 N 4.38 -5.38 0.00 2.88 1.02 0.17 -1.82 120.64 121.88 3ks9 n GLU 502 Ca 0.02 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3ks9 n GLU 502 Cb 0.41 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 3ks9 n GLU 502 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ks9 n GLY 503 N -1.58 1.57 3.24 0.62 0.00 -1.26 -5.00 105.19 102.78 3ks9 n GLY 503 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3ks9 n GLY 503 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ks9 s VAL 504 N -2.37 2.97 -0.04 1.61 1.01 -0.76 -5.09 120.40 117.74 3ks9 s VAL 504 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 3ks9 s VAL 504 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3ks9 s VAL 504 CO 0.00 0.35 0.63 -0.22 0.00 0.00 0.00 175.10 175.86 3ks9 s LEU 505 N 1.39 4.37 -0.12 3.92 2.96 -1.26 -0.57 118.68 129.36 3ks9 s LEU 505 Ca 0.04 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 55.07 3ks9 s LEU 505 Cb -0.15 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.60 3ks9 s LEU 505 CO -0.05 0.00 0.03 0.21 -1.32 0.00 0.00 176.35 175.22 3ks9 s ASN 506 N 0.28 2.03 0.00 3.68 2.47 0.20 -5.00 114.94 118.61 3ks9 s ASN 506 Ca 0.33 -0.36 0.04 0.00 0.42 0.00 0.00 52.86 53.29 3ks9 s ASN 506 Cb -0.18 -0.41 -0.01 0.00 -1.45 0.00 0.00 41.25 39.20 3ks9 s ASN 506 CO 0.17 -0.26 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.54 3ks9 s ILE 507 N 1.99 0.94 -1.02 -5.21 1.01 -1.26 -1.05 121.20 116.59 3ks9 s ILE 507 Ca 0.03 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 3ks9 s ILE 507 Cb -0.14 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.56 3ks9 s ILE 507 CO -0.06 0.19 1.54 -0.62 0.00 0.00 0.00 174.94 175.99 3ks9 s ASP 508 N -0.48 6.32 0.37 3.58 3.68 -0.21 -4.87 116.67 125.06 3ks9 s ASP 508 Ca 0.03 -1.41 0.11 0.00 2.13 0.00 0.00 52.55 53.41 3ks9 s ASP 508 Cb -0.05 -2.57 0.88 0.00 -1.45 0.00 0.00 42.92 39.73 3ks9 s ASP 508 CO -0.00 -1.67 1.85 0.44 0.13 0.00 0.00 175.17 175.92 3ks9 h ASP 509 N 9.86 0.60 -0.49 -0.34 3.32 -1.98 -1.72 116.42 125.67 3ks9 h ASP 509 Ca 0.20 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3ks9 h ASP 509 Cb 1.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3ks9 h ASP 509 CO 1.40 0.27 0.23 1.88 -1.72 0.00 0.00 179.24 181.30 3ks9 h TYR 510 N 0.62 0.71 -0.04 4.55 -1.99 -1.99 -3.01 116.97 115.82 3ks9 h TYR 510 Ca 0.48 -0.04 -0.16 0.00 2.00 0.00 0.00 58.73 61.01 3ks9 h TYR 510 Cb 0.88 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 3ks9 h TYR 510 CO -0.00 0.57 -0.68 -0.22 -0.00 0.00 0.00 178.16 177.82 3ks9 h LYS 511 N 0.64 0.17 -0.00 4.88 3.64 -1.76 -3.56 116.57 120.58 3ks9 h LYS 511 Ca 0.17 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ks9 h LYS 511 Cb 0.13 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3ks9 h LYS 511 CO -0.02 0.79 0.00 1.51 -2.27 0.00 0.00 179.45 179.46