#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9r h VAL 3 N 0.00 0.63 -3.26 2.46 -1.51 -1.98 -3.42 116.25 109.17 1s9r h VAL 3 Ca 0.00 -0.83 -0.57 0.00 -1.23 0.00 0.00 66.70 64.07 1s9r h VAL 3 Cb 0.00 1.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 1s9r h VAL 3 CO 0.00 0.18 -0.03 -0.36 -1.23 0.00 0.00 177.57 176.14 1s9r s PHE 4 N -3.99 3.79 0.87 5.19 0.40 -1.26 -4.73 117.98 118.25 1s9r s PHE 4 Ca -0.02 1.27 -0.12 0.00 -0.60 0.00 0.00 56.93 57.46 1s9r s PHE 4 Cb 0.12 -2.52 0.11 0.00 0.51 0.00 0.00 43.02 41.24 1s9r s PHE 4 CO 0.62 0.54 1.14 0.16 0.70 0.00 0.00 175.22 178.38 1s9r s ASP 5 N -0.94 3.93 0.40 1.36 -4.77 -1.26 -4.95 116.67 110.44 1s9r s ASP 5 Ca 0.29 0.99 0.07 0.00 -3.30 0.00 0.00 52.55 50.60 1s9r s ASP 5 Cb -0.19 -1.58 0.84 0.00 -1.09 0.00 0.00 42.92 40.89 1s9r s ASP 5 CO 0.19 -2.29 2.05 0.28 0.70 0.00 0.00 175.17 176.10 1s9r h SER 6 N -1.32 0.50 1.13 2.11 0.02 -1.97 -2.48 113.55 111.53 1s9r h SER 6 Ca -0.49 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1s9r h SER 6 Cb 1.32 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1s9r h SER 6 CO 0.62 0.36 0.00 0.07 -1.14 0.00 0.00 176.83 176.74 1s9r h LYS 7 N 0.58 0.00 -6.18 3.45 5.09 -2.03 -3.44 116.57 114.05 1s9r h LYS 7 Ca 0.17 0.00 -0.56 0.00 0.09 0.00 0.00 60.65 60.35 1s9r h LYS 7 Cb -0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.30 1s9r h LYS 7 CO -0.04 0.00 1.34 0.12 -2.09 0.00 0.00 179.45 178.78 1s9r s PHE 8 N -3.30 1.34 -0.21 0.07 5.36 -0.94 -4.82 117.98 115.49 1s9r s PHE 8 Ca 0.06 0.13 0.12 0.00 -0.96 0.00 0.00 56.93 56.28 1s9r s PHE 8 Cb 0.10 -4.07 0.43 0.00 -0.34 0.00 0.00 43.02 39.14 1s9r s PHE 8 CO 0.51 -4.53 1.20 0.36 -1.46 0.00 0.00 175.22 171.30 1s9r n LYS 9 N 8.11 1.86 0.00 10.12 2.85 -1.26 -4.96 118.16 134.88 1s9r n LYS 9 Ca 0.24 -3.36 0.00 0.00 -1.05 0.00 0.00 58.31 54.15 1s9r n LYS 9 Cb 0.43 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 1s9r n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s9r n GLY 10 N -0.81 2.06 3.70 2.58 0.00 -1.26 -5.01 105.19 106.44 1s9r n GLY 10 Ca 0.23 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1s9r n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9r s ILE 11 N -1.87 2.91 -0.46 -0.61 -1.09 -1.26 -4.73 121.20 114.09 1s9r s ILE 11 Ca 0.00 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 58.99 1s9r s ILE 11 Cb 0.00 -3.33 0.18 0.00 -1.58 0.00 0.00 42.46 37.73 1s9r s ILE 11 CO 0.00 0.02 0.52 1.57 -1.23 0.00 0.00 174.94 175.82 1s9r n HIS 12 N 4.87 -2.24 -3.76 3.97 -0.00 -0.29 -4.13 115.22 113.65 1s9r n HIS 12 Ca 0.15 -2.44 -0.30 0.00 0.46 0.00 0.00 57.72 55.59 1s9r n HIS 12 Cb 0.40 0.81 -0.14 0.00 -0.12 0.00 0.00 29.99 30.94 1s9r n HIS 12 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1s9r s VAL 13 N 0.40 1.29 -0.23 3.57 1.01 0.62 -0.62 120.40 126.45 1s9r s VAL 13 Ca 0.32 -2.02 0.16 0.00 0.00 0.00 0.00 61.98 60.44 1s9r s VAL 13 Cb 0.03 -1.94 0.40 0.00 0.00 0.00 0.00 36.38 34.86 1s9r s VAL 13 CO -0.13 -0.76 1.29 -1.22 0.00 0.00 0.00 175.10 174.28 1s9r n TYR 14 N 4.22 0.53 -3.82 5.22 4.02 -1.26 -0.57 117.16 125.50 1s9r n TYR 14 Ca 0.03 -0.85 -0.06 0.00 -0.01 0.00 0.00 57.90 57.01 1s9r n TYR 14 Cb 0.39 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1s9r n TYR 14 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1s9r s SER 15 N -2.08 -0.11 0.00 7.72 1.04 -1.23 -3.56 113.70 115.48 1s9r s SER 15 Ca 0.34 -0.75 0.20 0.00 0.48 0.00 0.00 55.95 56.22 1s9r s SER 15 Cb 0.28 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 67.04 1s9r s SER 15 CO 0.07 -1.31 0.98 -0.62 0.98 0.00 0.00 173.24 173.35 1s9r n GLU 16 N -0.53 1.25 0.00 4.02 -0.58 -0.72 -4.65 120.64 119.43 1s9r n GLU 16 Ca -0.06 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.89 1s9r n GLU 16 Cb 0.60 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1s9r n GLU 16 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1s9r n ILE 17 N -0.28 0.00 -1.76 -3.67 -5.35 -1.26 -4.36 119.36 102.68 1s9r n ILE 17 Ca 0.08 -0.26 -0.37 0.00 -0.27 0.00 0.00 62.75 61.92 1s9r n ILE 17 Cb 0.41 1.01 0.06 0.00 -1.74 0.00 0.00 39.64 39.38 1s9r n ILE 17 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s9r s GLY 18 N -0.52 2.87 -0.40 3.28 0.00 -1.26 -1.63 107.32 109.65 1s9r s GLY 18 Ca 0.00 1.24 -0.43 0.00 0.00 0.00 0.00 44.72 45.53 1s9r s GLY 18 CO 0.00 1.69 1.74 -2.21 0.00 0.00 0.00 173.10 174.32 1s9r n GLU 19 N -1.70 0.54 -2.31 2.90 2.13 -1.26 -4.42 120.64 116.52 1s9r n GLU 19 Ca 0.15 0.19 -0.42 0.00 0.66 0.00 0.00 57.16 57.73 1s9r n GLU 19 Cb 0.47 -1.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.36 1s9r n GLU 19 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1s9r s LEU 20 N 3.71 4.31 -0.24 4.31 2.96 0.13 -0.46 118.68 133.40 1s9r s LEU 20 Ca 1.04 2.03 -0.15 0.00 -0.22 0.00 0.00 54.13 56.83 1s9r s LEU 20 Cb -1.29 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 41.74 1s9r s LEU 20 CO 0.72 -0.65 -0.34 -0.62 -1.32 0.00 0.00 176.35 174.14 1s9r n GLU 21 N 5.09 0.55 -4.56 1.98 1.02 0.00 -4.64 120.64 120.08 1s9r n GLU 21 Ca 0.12 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.28 1s9r n GLU 21 Cb 0.45 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 30.27 1s9r n GLU 21 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1s9r s SER 22 N -7.02 1.51 -0.04 1.62 0.01 -1.09 -0.17 113.70 108.51 1s9r s SER 22 Ca -0.35 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.61 1s9r s SER 22 Cb 0.12 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1s9r s SER 22 CO 0.46 0.13 0.16 0.54 0.41 0.00 0.00 173.24 174.94 1s9r s VAL 23 N -0.13 0.03 -0.21 3.43 0.11 0.02 -0.18 120.40 123.47 1s9r s VAL 23 Ca 0.02 -0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1s9r s VAL 23 Cb -0.07 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1s9r s VAL 23 CO 0.00 -0.14 0.15 -0.22 -3.33 0.00 0.00 175.10 171.57 1s9r s LEU 24 N -0.44 4.17 0.28 2.54 2.96 0.11 -0.63 118.68 127.67 1s9r s LEU 24 Ca -0.05 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1s9r s LEU 24 Cb -0.04 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1s9r s LEU 24 CO 0.01 0.13 0.13 0.68 -1.32 0.00 0.00 176.35 175.97 1s9r s VAL 25 N 0.65 0.44 -0.17 1.68 -7.23 -0.27 -1.59 120.40 113.90 1s9r s VAL 25 Ca 0.08 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1s9r s VAL 25 Cb -0.12 -2.57 0.09 0.00 0.56 0.00 0.00 36.38 34.34 1s9r s VAL 25 CO 0.01 0.00 0.33 -2.28 -0.31 0.00 0.00 175.10 172.85 1s9r s HIS 26 N -3.68 -0.60 0.11 2.82 2.46 -1.26 -0.53 115.29 114.61 1s9r s HIS 26 Ca 0.36 1.08 -0.30 0.00 0.47 0.00 0.00 55.06 56.68 1s9r s HIS 26 Cb 0.06 0.06 -0.07 0.00 -0.13 0.00 0.00 32.58 32.51 1s9r s HIS 26 CO 0.15 -0.47 1.16 -2.00 -2.47 0.00 0.00 174.74 171.12 1s9r s GLU 27 N 2.50 4.49 0.11 2.88 2.12 -1.26 -4.28 118.70 125.26 1s9r s GLU 27 Ca 0.02 1.76 -0.31 0.00 0.36 0.00 0.00 54.97 56.80 1s9r s GLU 27 Cb -0.13 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 30.85 1s9r s GLU 27 CO -0.11 -0.13 1.72 -1.25 -0.54 0.00 0.00 175.26 174.95 1s9r s PRO 28 N 0.42 4.17 0.00 4.30 0.04 -1.26 -4.89 135.00 137.78 1s9r s PRO 28 Ca 0.55 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1s9r s PRO 28 Cb -0.30 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1s9r s PRO 28 CO 0.32 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1s9r n GLY 29 N 4.06 1.79 0.34 0.56 0.00 -1.26 -4.83 105.19 105.85 1s9r n GLY 29 Ca 0.16 -1.83 0.21 0.00 0.00 0.00 0.00 46.02 44.56 1s9r n GLY 29 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s9r h ARG 30 N 0.00 0.00 -0.43 1.61 9.65 -1.91 -2.73 114.38 120.56 1s9r h ARG 30 Ca 0.00 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 1s9r h ARG 30 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1s9r h ARG 30 CO 0.00 0.00 0.30 1.05 2.80 0.00 0.00 179.97 184.12 1s9r h GLU 31 N 0.00 0.11 0.00 0.20 9.09 -1.82 0.12 114.58 122.29 1s9r h GLU 31 Ca 0.01 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1s9r h GLU 31 Cb 0.14 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 1s9r h GLU 31 CO -0.00 0.07 0.00 0.44 0.05 0.00 0.00 179.01 179.57 1s9r n ILE 32 N -4.44 0.07 0.81 -1.06 -5.35 -1.03 -2.99 119.36 105.36 1s9r n ILE 32 Ca 0.07 0.02 0.13 0.00 -0.27 0.00 0.00 62.75 62.69 1s9r n ILE 32 Cb 0.43 -0.53 0.52 0.00 -1.74 0.00 0.00 39.64 38.31 1s9r n ILE 32 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s9r n ASP 33 N -1.48 0.21 -1.28 7.28 8.00 0.43 -3.23 116.55 126.49 1s9r n ASP 33 Ca 0.08 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.21 1s9r n ASP 33 Cb 0.32 -0.58 0.30 0.00 -0.02 0.00 0.00 41.12 41.14 1s9r n ASP 33 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1s9r n TYR 34 N -1.70 0.90 -2.49 1.24 0.53 -1.16 -4.89 117.16 109.58 1s9r n TYR 34 Ca 0.06 -0.48 -0.43 0.00 -1.02 0.00 0.00 57.90 56.03 1s9r n TYR 34 Cb 0.33 -0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.61 1s9r n TYR 34 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1s9r s ILE 35 N -1.04 4.38 0.28 -0.72 1.01 -1.20 -5.00 121.20 118.91 1s9r s ILE 35 Ca 0.46 1.66 0.09 0.00 0.00 0.00 0.00 60.65 62.86 1s9r s ILE 35 Cb 0.24 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1s9r s ILE 35 CO 0.32 -0.18 0.05 0.42 0.00 0.00 0.00 174.94 175.55 1s9r s THR 36 N 3.48 3.43 0.27 2.92 -4.23 -1.26 -5.00 115.64 115.26 1s9r s THR 36 Ca 0.52 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1s9r s THR 36 Cb -0.19 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1s9r s THR 36 CO 0.13 -0.33 1.79 -0.65 -0.54 0.00 0.00 174.62 175.02 1s9r h PRO 37 N 1.78 0.74 0.00 3.99 0.11 -2.02 -1.76 132.00 134.83 1s9r h PRO 37 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s9r h PRO 37 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s9r h PRO 37 CO 0.61 0.49 0.00 0.00 -0.21 0.00 0.00 178.00 178.89 1s9r h ALA 38 N 1.54 1.00 -0.49 -0.75 0.00 -2.01 -3.20 119.26 115.35 1s9r h ALA 38 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1s9r h ALA 38 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s9r h ALA 38 CO -0.32 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.47 1s9r n ARG 39 N -2.69 3.16 -0.12 0.00 1.74 -0.67 -4.67 116.66 113.40 1s9r n ARG 39 Ca 0.03 -2.56 -0.05 0.00 -0.77 0.00 0.00 57.85 54.50 1s9r n ARG 39 Cb 0.35 -1.62 0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1s9r n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1s9r h LEU 40 N 3.00 0.05 -0.34 0.55 3.38 -1.53 -0.31 115.31 120.10 1s9r h LEU 40 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1s9r h LEU 40 Cb 1.13 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1s9r h LEU 40 CO 0.12 0.06 0.15 0.44 0.09 0.00 0.00 178.44 179.29 1s9r h ASP 41 N 0.23 0.46 -0.77 -0.43 3.32 -1.83 -1.19 116.42 116.22 1s9r h ASP 41 Ca 0.20 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1s9r h ASP 41 Cb 0.22 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1s9r h ASP 41 CO -0.24 0.49 0.46 -0.08 -1.72 0.00 0.00 179.24 178.15 1s9r h GLU 42 N 0.41 1.05 -0.00 3.56 4.81 -1.82 -2.95 114.58 119.64 1s9r h GLU 42 Ca 0.12 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1s9r h GLU 42 Cb 0.16 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1s9r h GLU 42 CO -0.01 0.74 -0.11 1.28 -0.73 0.00 0.00 179.01 180.17 1s9r n LEU 43 N -4.49 0.27 -1.10 1.64 4.77 -0.15 -4.87 117.00 113.08 1s9r n LEU 43 Ca 0.07 0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1s9r n LEU 43 Cb 0.06 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1s9r n LEU 43 CO 0.37 0.06 0.05 0.18 -1.33 0.00 0.00 177.39 176.71 1s9r n LEU 44 N -1.22 -2.27 -4.35 2.23 4.77 -0.53 -4.75 117.00 110.88 1s9r n LEU 44 Ca 0.11 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1s9r n LEU 44 Cb 0.29 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.27 1s9r n LEU 44 CO 0.26 0.12 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.53 1s9r s PHE 45 N -3.06 2.17 -0.29 -1.77 0.40 -0.71 -4.79 117.98 109.92 1s9r s PHE 45 Ca 0.11 -0.39 0.22 0.00 -0.60 0.00 0.00 56.93 56.26 1s9r s PHE 45 Cb -0.05 -1.21 0.11 0.00 0.51 0.00 0.00 43.02 42.38 1s9r s PHE 45 CO 0.14 0.24 1.25 0.66 0.70 0.00 0.00 175.22 178.21 1s9r h SER 46 N 4.21 0.00 -5.02 1.36 4.64 -1.58 -3.39 113.55 113.77 1s9r h SER 46 Ca -0.48 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.01 1s9r h SER 46 Cb 1.16 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.13 1s9r h SER 46 CO 0.41 0.08 0.55 0.00 -0.87 0.00 0.00 176.83 177.00 1s9r s ALA 47 N -3.25 -1.82 0.10 5.18 0.00 -1.25 -5.09 121.76 115.63 1s9r s ALA 47 Ca 0.02 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1s9r s ALA 47 Cb 0.08 0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 1s9r s ALA 47 CO 0.75 -0.87 0.99 0.42 0.00 0.00 0.00 175.76 177.05 1s9r s ILE 48 N -3.05 4.48 0.41 0.00 1.01 -1.26 -4.77 121.20 118.01 1s9r s ILE 48 Ca 0.09 2.01 -0.19 0.00 0.00 0.00 0.00 60.65 62.56 1s9r s ILE 48 Cb -0.00 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1s9r s ILE 48 CO -0.03 0.28 0.89 -0.76 0.00 0.00 0.00 174.94 175.32 1s9r s LEU 49 N 0.15 3.95 -0.43 2.97 1.02 -1.26 -5.02 118.68 120.06 1s9r s LEU 49 Ca 0.48 1.57 -0.24 0.00 0.02 0.00 0.00 54.13 55.96 1s9r s LEU 49 Cb -0.24 -4.41 0.02 0.00 0.02 0.00 0.00 46.19 41.58 1s9r s LEU 49 CO 0.30 -0.33 0.86 -0.70 0.02 0.00 0.00 176.35 176.50 1s9r s GLU 50 N -3.19 3.57 0.12 1.70 -6.30 -1.26 -4.94 118.70 108.40 1s9r s GLU 50 Ca 0.60 0.16 -0.18 0.00 -2.50 0.00 0.00 54.97 53.05 1s9r s GLU 50 Cb -0.09 -3.90 -0.05 0.00 0.00 0.00 0.00 34.13 30.09 1s9r s GLU 50 CO 0.15 -1.10 1.71 0.77 0.02 0.00 0.00 175.26 176.81 1s9r h SER 51 N 8.88 0.36 -0.56 -1.70 0.02 -1.95 -1.12 113.55 117.48 1s9r h SER 51 Ca -0.24 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1s9r h SER 51 Cb 1.08 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1s9r h SER 51 CO 0.98 0.36 0.36 0.45 -1.14 0.00 0.00 176.83 177.85 1s9r h HIS 52 N 0.33 0.69 -0.21 3.45 3.86 -1.99 -1.54 115.15 119.75 1s9r h HIS 52 Ca 0.10 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 1s9r h HIS 52 Cb 0.09 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1s9r h HIS 52 CO -0.03 0.42 -0.34 -0.44 0.86 0.00 0.00 177.93 178.41 1s9r h ASP 53 N 0.74 0.44 -0.42 2.45 3.45 -1.96 -1.14 116.42 119.97 1s9r h ASP 53 Ca 0.21 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.43 1s9r h ASP 53 Cb -0.05 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1s9r h ASP 53 CO -0.06 0.75 -0.00 0.00 -1.57 0.00 0.00 179.24 178.36 1s9r h ALA 54 N 1.28 1.07 -0.27 3.45 0.00 -0.78 -0.28 119.26 123.72 1s9r h ALA 54 Ca 0.04 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1s9r h ALA 54 Cb 0.77 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s9r h ALA 54 CO 0.06 0.59 -0.55 0.00 0.00 0.00 0.00 179.25 179.35 1s9r h ARG 55 N 0.77 0.82 -0.82 0.00 3.08 -0.87 -1.14 114.38 116.22 1s9r h ARG 55 Ca 0.15 -0.52 0.02 0.00 0.07 0.00 0.00 59.98 59.69 1s9r h ARG 55 Cb 0.47 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1s9r h ARG 55 CO 0.02 1.15 0.53 0.87 -1.07 0.00 0.00 179.97 181.48 1s9r h LYS 56 N 0.63 1.04 -0.57 0.04 1.79 -0.82 -0.57 116.57 118.11 1s9r h LYS 56 Ca 0.01 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1s9r h LYS 56 Cb 1.14 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 1s9r h LYS 56 CO 0.12 0.69 0.28 0.93 -1.08 0.00 0.00 179.45 180.39 1s9r h GLU 57 N 1.08 0.83 -0.80 3.15 5.08 -0.85 -2.14 114.58 120.92 1s9r h GLU 57 Ca 0.31 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1s9r h GLU 57 Cb -0.08 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 1s9r h GLU 57 CO -0.08 0.67 0.38 1.25 -1.00 0.00 0.00 179.01 180.23 1s9r h HIS 58 N 0.78 1.17 -0.25 4.33 2.76 -0.73 -1.21 115.15 122.00 1s9r h HIS 58 Ca 0.20 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1s9r h HIS 58 Cb 0.12 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 1s9r h HIS 58 CO -0.00 0.85 0.06 0.87 -1.30 0.00 0.00 177.93 178.41 1s9r h LYS 59 N 1.14 0.35 -0.48 5.26 1.57 -0.82 -0.47 116.57 123.12 1s9r h LYS 59 Ca 0.28 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1s9r h LYS 59 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1s9r h LYS 59 CO -0.03 0.33 -0.20 1.96 -0.57 0.00 0.00 179.45 180.94 1s9r h GLN 60 N 0.35 0.98 -0.16 3.15 1.08 -0.60 0.79 115.11 120.70 1s9r h GLN 60 Ca 0.08 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 1s9r h GLN 60 Cb 0.14 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1s9r h GLN 60 CO -0.00 1.09 0.10 0.35 -0.95 0.00 0.00 178.83 179.41 1s9r h PHE 61 N 0.83 0.21 -0.75 2.96 -0.00 -0.56 -0.93 116.94 118.71 1s9r h PHE 61 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.04 1s9r h PHE 61 Cb 0.78 -0.07 -0.03 0.00 -0.00 0.00 0.00 35.95 36.63 1s9r h PHE 61 CO 0.05 0.17 0.30 0.28 -0.00 0.00 0.00 178.31 179.11 1s9r h VAL 62 N 0.19 1.25 -0.46 1.41 2.07 -0.95 -2.09 116.25 117.68 1s9r h VAL 62 Ca 0.06 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1s9r h VAL 62 Cb 0.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1s9r h VAL 62 CO -0.01 0.32 0.13 0.00 0.02 0.00 0.00 177.57 178.03 1s9r h ALA 63 N 1.15 1.37 -0.31 1.67 0.00 -0.52 0.05 119.26 122.68 1s9r h ALA 63 Ca 0.25 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1s9r h ALA 63 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s9r h ALA 63 CO -0.02 0.46 -0.42 1.49 0.00 0.00 0.00 179.25 180.76 1s9r h GLU 64 N 0.66 0.76 -0.30 0.00 4.57 -0.67 -0.79 114.58 118.81 1s9r h GLU 64 Ca 0.15 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 1s9r h GLU 64 Cb 0.22 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1s9r h GLU 64 CO -0.01 1.03 0.07 -0.07 -1.18 0.00 0.00 179.01 178.86 1s9r h LEU 65 N 0.62 0.47 -1.42 1.64 3.38 -0.81 -2.57 115.31 116.61 1s9r h LEU 65 Ca 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1s9r h LEU 65 Cb 0.98 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1s9r h LEU 65 CO 0.09 0.58 -0.17 0.11 0.09 0.00 0.00 178.44 179.15 1s9r h LYS 66 N 0.33 0.17 0.00 1.13 1.57 -0.90 -0.71 116.57 118.16 1s9r h LYS 66 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1s9r h LYS 66 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1s9r h LYS 66 CO 0.00 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1s9r n ALA 67 N -2.49 1.44 -1.13 3.86 0.00 -0.31 -1.42 120.51 120.45 1s9r n ALA 67 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 1s9r n ALA 67 Cb 0.28 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.65 1s9r n ALA 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s9r n ASN 68 N -2.19 4.02 -3.38 0.00 3.02 -0.29 -4.94 115.26 111.49 1s9r n ASN 68 Ca 0.01 -3.30 -0.24 0.00 -0.03 0.00 0.00 54.58 51.02 1s9r n ASN 68 Cb 0.16 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 38.71 1s9r n ASN 68 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1s9r n ASP 69 N -0.51 -5.93 -4.83 6.41 8.00 -0.51 -5.00 116.55 114.19 1s9r n ASP 69 Ca 0.34 -0.45 -0.36 0.00 0.71 0.00 0.00 54.79 55.03 1s9r n ASP 69 Cb 1.18 -4.74 -0.07 0.00 -0.02 0.00 0.00 41.12 37.48 1s9r n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s9r s ILE 70 N -3.23 5.24 -0.53 0.53 1.01 -1.08 -4.91 121.20 118.22 1s9r s ILE 70 Ca 0.47 0.11 -0.26 0.00 0.00 0.00 0.00 60.65 60.96 1s9r s ILE 70 Cb -0.21 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.01 1s9r s ILE 70 CO 0.58 0.60 1.03 0.21 0.00 0.00 0.00 174.94 177.36 1s9r s ASN 71 N -0.89 6.43 -0.27 3.58 3.04 0.76 -4.36 114.94 123.22 1s9r s ASN 71 Ca 0.14 -0.04 -0.12 0.00 0.04 0.00 0.00 52.86 52.87 1s9r s ASN 71 Cb -0.12 -2.48 -0.05 0.00 -1.54 0.00 0.00 41.25 37.06 1s9r s ASN 71 CO 0.03 -1.26 0.24 -0.69 -3.04 0.00 0.00 177.10 172.38 1s9r s VAL 72 N 4.24 5.28 -0.25 -5.21 1.01 -1.26 -0.80 120.40 123.40 1s9r s VAL 72 Ca 0.37 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1s9r s VAL 72 Cb -0.10 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1s9r s VAL 72 CO 0.24 0.24 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1s9r s VAL 73 N 1.75 4.64 -0.12 2.92 1.01 0.19 -4.97 120.40 125.83 1s9r s VAL 73 Ca 0.09 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1s9r s VAL 73 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1s9r s VAL 73 CO 0.10 0.32 0.75 -0.70 0.00 0.00 0.00 175.10 175.57 1s9r s GLU 74 N 1.58 4.35 0.22 2.72 2.56 -1.26 -1.11 118.70 127.76 1s9r s GLU 74 Ca 0.06 0.92 -0.08 0.00 0.00 0.00 0.00 54.97 55.87 1s9r s GLU 74 Cb -0.15 -3.52 0.36 0.00 2.00 0.00 0.00 34.13 32.82 1s9r s GLU 74 CO 0.06 -0.14 1.68 1.25 -0.56 0.00 0.00 175.26 177.55 1s9r h LEU 75 N 7.59 -0.09 -0.52 2.70 5.85 -1.21 -1.23 115.31 128.40 1s9r h LEU 75 Ca -0.35 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1s9r h LEU 75 Cb 1.16 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 1s9r h LEU 75 CO 0.79 -0.05 0.18 0.40 -0.34 0.00 0.00 178.44 179.42 1s9r h ILE 76 N 0.21 0.80 -0.05 4.05 2.04 -1.93 -0.48 117.51 122.15 1s9r h ILE 76 Ca 0.35 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 66.01 1s9r h ILE 76 Cb 0.57 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1s9r h ILE 76 CO -0.49 0.06 -0.36 0.44 0.00 0.00 0.00 178.15 177.81 1s9r h ASP 77 N 0.35 0.10 -0.14 1.72 3.32 -1.68 -1.13 116.42 118.96 1s9r h ASP 77 Ca 0.26 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1s9r h ASP 77 Cb 0.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1s9r h ASP 77 CO -0.27 0.45 -0.25 0.25 -1.72 0.00 0.00 179.24 177.71 1s9r h LEU 78 N 0.09 0.46 -0.30 1.55 5.85 -0.48 -1.25 115.31 121.23 1s9r h LEU 78 Ca 0.01 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1s9r h LEU 78 Cb 0.67 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1s9r h LEU 78 CO 0.05 0.92 0.07 0.58 -0.34 0.00 0.00 178.44 179.71 1s9r h VAL 79 N 0.02 1.22 -0.38 1.05 2.07 -0.93 -1.37 116.25 117.93 1s9r h VAL 79 Ca 0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1s9r h VAL 79 Cb 0.83 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1s9r h VAL 79 CO 0.06 0.25 0.25 0.00 0.02 0.00 0.00 177.57 178.14 1s9r h ALA 80 N 0.90 0.49 -0.95 1.67 0.00 -1.24 0.25 119.26 120.38 1s9r h ALA 80 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s9r h ALA 80 Cb 0.30 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1s9r h ALA 80 CO 0.00 -0.05 0.62 1.49 0.00 0.00 0.00 179.25 181.32 1s9r h GLU 81 N 0.52 1.19 -0.42 0.00 4.81 -1.11 0.70 114.58 120.27 1s9r h GLU 81 Ca 0.14 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1s9r h GLU 81 Cb -0.05 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 1s9r h GLU 81 CO -0.03 0.79 -0.18 1.15 -0.73 0.00 0.00 179.01 180.01 1s9r h THR 82 N 1.23 1.28 -0.36 0.32 2.02 -0.81 -2.90 112.91 113.68 1s9r h THR 82 Ca 0.37 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.24 1s9r h THR 82 Cb -0.04 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1s9r h THR 82 CO -0.11 0.45 0.23 0.22 0.37 0.00 0.00 175.52 176.68 1s9r h TYR 83 N 0.69 0.44 -0.39 3.16 3.20 0.13 -0.95 116.97 123.25 1s9r h TYR 83 Ca 0.10 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1s9r h TYR 83 Cb 0.74 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1s9r h TYR 83 CO 0.06 0.27 0.26 -0.44 -1.64 0.00 0.00 178.16 176.67 1s9r h ASP 84 N 0.47 0.22 -0.02 -2.11 3.32 -0.77 -2.56 116.42 114.97 1s9r h ASP 84 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1s9r h ASP 84 Cb -0.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1s9r h ASP 84 CO -0.04 0.14 -0.16 0.00 -1.72 0.00 0.00 179.24 177.47 1s9r n LEU 85 N -4.47 2.25 -4.83 1.55 -0.00 -0.99 -4.99 117.00 105.52 1s9r n LEU 85 Ca 0.05 -0.90 -0.31 0.00 -0.00 0.00 0.00 56.01 54.85 1s9r n LEU 85 Cb 0.28 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.75 1s9r n LEU 85 CO 0.35 0.40 0.71 0.00 -0.00 0.00 0.00 177.39 178.85 1s9r s ALA 86 N -1.81 2.65 0.79 1.47 0.00 -0.40 -5.04 121.76 119.43 1s9r s ALA 86 Ca 0.19 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 1s9r s ALA 86 Cb 0.15 -3.14 0.07 0.00 0.00 0.00 0.00 23.12 20.20 1s9r s ALA 86 CO 0.33 -1.26 1.10 -1.54 0.00 0.00 0.00 175.76 174.39 1s9r s SER 87 N -3.90 4.34 0.40 0.00 1.04 -1.26 -4.80 113.70 109.53 1s9r s SER 87 Ca 0.58 1.83 0.13 0.00 0.48 0.00 0.00 55.95 58.97 1s9r s SER 87 Cb -0.14 -2.51 0.84 0.00 0.10 0.00 0.00 66.02 64.32 1s9r s SER 87 CO 0.55 -2.14 1.91 -0.61 0.98 0.00 0.00 173.24 173.92 1s9r h GLN 88 N -1.21 0.05 -0.50 4.02 5.75 -1.96 0.01 115.11 121.29 1s9r h GLN 88 Ca -0.44 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1s9r h GLN 88 Cb 1.24 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 1s9r h GLN 88 CO 0.51 0.30 0.22 1.49 -2.65 0.00 0.00 178.83 178.70 1s9r h GLU 89 N 0.05 0.72 -0.21 1.69 4.81 -1.99 0.33 114.58 119.99 1s9r h GLU 89 Ca 0.01 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 1s9r h GLU 89 Cb 0.46 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1s9r h GLU 89 CO 0.03 0.62 -0.35 0.00 -0.73 0.00 0.00 179.01 178.59 1s9r h ALA 90 N 1.07 0.32 -0.65 2.92 0.00 -1.75 -0.84 119.26 120.33 1s9r h ALA 90 Ca 0.17 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1s9r h ALA 90 Cb 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1s9r h ALA 90 CO -0.02 0.38 0.34 0.87 0.00 0.00 0.00 179.25 180.82 1s9r h LYS 91 N 0.29 0.59 -0.44 0.00 1.57 -0.91 -1.63 116.57 116.04 1s9r h LYS 91 Ca 0.02 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1s9r h LYS 91 Cb 0.93 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1s9r h LYS 91 CO 0.08 0.39 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.68 1s9r h ASP 92 N 0.61 0.98 0.53 0.86 3.32 -0.78 -3.11 116.42 118.83 1s9r h ASP 92 Ca 0.30 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1s9r h ASP 92 Cb 0.25 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1s9r h ASP 92 CO -0.21 1.17 -0.32 0.50 -1.72 0.00 0.00 179.24 178.66 1s9r h LYS 93 N 0.78 0.00 -0.42 3.56 3.64 -0.81 -2.05 116.57 121.28 1s9r h LYS 93 Ca 0.10 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1s9r h LYS 93 Cb 0.81 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1s9r h LYS 93 CO 0.07 0.32 0.12 1.25 -2.27 0.00 0.00 179.45 178.94 1s9r h LEU 94 N 0.00 0.61 -0.46 5.20 5.85 -1.24 0.10 115.31 125.38 1s9r h LEU 94 Ca -0.00 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1s9r h LEU 94 Cb 0.67 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1s9r h LEU 94 CO 0.04 0.67 -0.05 0.40 -0.34 0.00 0.00 178.44 179.16 1s9r h ILE 95 N 0.53 1.27 -0.57 4.05 2.04 -1.48 -0.86 117.51 122.49 1s9r h ILE 95 Ca 0.13 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1s9r h ILE 95 Cb 0.28 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1s9r h ILE 95 CO -0.00 0.39 0.18 -0.33 0.00 0.00 0.00 178.15 178.39 1s9r h GLU 96 N 0.69 0.88 -0.16 2.37 4.39 -1.13 -1.73 114.58 119.89 1s9r h GLU 96 Ca 0.12 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 1s9r h GLU 96 Cb 0.58 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1s9r h GLU 96 CO 0.03 0.80 -0.49 0.93 -1.16 0.00 0.00 179.01 179.12 1s9r h GLU 97 N 0.80 0.41 -0.31 2.33 5.08 -0.74 -1.34 114.58 120.81 1s9r h GLU 97 Ca 0.18 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1s9r h GLU 97 Cb 0.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1s9r h GLU 97 CO -0.01 0.81 0.18 0.35 -1.00 0.00 0.00 179.01 179.35 1s9r h PHE 98 N 0.33 0.35 -0.59 4.33 3.57 -0.95 -1.44 116.94 122.53 1s9r h PHE 98 Ca 0.02 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1s9r h PHE 98 Cb 0.98 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1s9r h PHE 98 CO 0.03 0.21 0.08 -0.07 -2.23 0.00 0.00 178.31 176.32 1s9r h LEU 99 N 0.38 0.92 -1.05 0.59 3.38 -1.07 -2.49 115.31 115.97 1s9r h LEU 99 Ca 0.12 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1s9r h LEU 99 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1s9r h LEU 99 CO -0.06 0.94 -0.39 -0.33 0.09 0.00 0.00 178.44 178.70 1s9r h GLU 100 N 0.91 0.00 -0.66 1.13 5.08 -0.96 -2.92 114.58 117.15 1s9r h GLU 100 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1s9r h GLU 100 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1s9r h GLU 100 CO 0.01 0.39 0.00 -0.25 -1.00 0.00 0.00 179.01 178.16 1s9r n ASP 101 N -3.66 3.71 -4.67 1.42 8.00 -0.57 -4.97 116.55 115.80 1s9r n ASP 101 Ca -0.01 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 1s9r n ASP 101 Cb 0.48 -0.44 0.07 0.00 -0.02 0.00 0.00 41.12 41.21 1s9r n ASP 101 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1s9r n SER 102 N 1.54 1.37 -3.82 -2.24 2.88 -0.96 -4.92 113.62 107.47 1s9r n SER 102 Ca 0.23 0.79 -0.22 0.00 -1.33 0.00 0.00 58.87 58.34 1s9r n SER 102 Cb 0.59 -1.48 -0.17 0.00 -0.75 0.00 0.00 64.21 62.40 1s9r n SER 102 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1s9r s GLU 103 N -3.17 0.77 0.94 -1.46 2.56 -1.26 -3.75 118.70 113.33 1s9r s GLU 103 Ca 0.79 0.00 -0.11 0.00 0.00 0.00 0.00 54.97 55.65 1s9r s GLU 103 Cb -0.39 -0.99 0.16 0.00 2.00 0.00 0.00 34.13 34.91 1s9r s GLU 103 CO 0.44 -0.23 1.09 -2.14 -0.56 0.00 0.00 175.26 173.87 1s9r s PRO 104 N 1.59 0.88 0.24 4.30 0.02 -1.26 -0.24 135.00 140.53 1s9r s PRO 104 Ca -0.00 1.08 -0.30 0.00 0.02 0.00 0.00 61.00 61.80 1s9r s PRO 104 Cb -0.13 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 1s9r s PRO 104 CO -0.04 -2.58 1.41 0.08 -0.33 0.00 0.00 177.00 175.54 1s9r s VAL 105 N -2.75 2.80 0.06 3.83 1.01 -1.25 -4.88 120.40 119.22 1s9r s VAL 105 Ca 0.65 0.67 -0.26 0.00 0.00 0.00 0.00 61.98 63.05 1s9r s VAL 105 Cb -0.21 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1s9r s VAL 105 CO 0.59 0.11 0.80 -0.76 0.00 0.00 0.00 175.10 175.83 1s9r s LEU 106 N -0.30 4.46 0.87 3.92 1.43 -1.26 -5.06 118.68 122.74 1s9r s LEU 106 Ca 0.59 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1s9r s LEU 106 Cb -0.40 -3.29 0.12 0.00 0.03 0.00 0.00 46.19 42.64 1s9r s LEU 106 CO 0.42 0.00 1.09 -0.94 0.23 0.00 0.00 176.35 177.15 1s9r s SER 107 N -0.05 3.62 0.26 2.29 1.04 -1.26 -4.78 113.70 114.82 1s9r s SER 107 Ca 0.40 1.65 -0.05 0.00 0.48 0.00 0.00 55.95 58.43 1s9r s SER 107 Cb -0.21 -2.32 0.31 0.00 0.10 0.00 0.00 66.02 63.90 1s9r s SER 107 CO 0.24 -2.57 1.88 -0.33 0.98 0.00 0.00 173.24 173.44 1s9r h GLU 108 N -1.50 1.14 -0.46 4.02 4.39 -1.99 -0.34 114.58 119.84 1s9r h GLU 108 Ca -0.48 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.04 1s9r h GLU 108 Cb 1.27 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1s9r h GLU 108 CO 0.52 0.84 0.06 1.49 -1.16 0.00 0.00 179.01 180.77 1s9r h GLU 109 N 1.15 0.76 -0.03 2.33 4.81 -2.01 -2.53 114.58 119.07 1s9r h GLU 109 Ca 0.29 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1s9r h GLU 109 Cb 0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1s9r h GLU 109 CO -0.05 0.79 -0.48 0.45 -0.73 0.00 0.00 179.01 178.99 1s9r h HIS 110 N 0.63 0.08 -0.46 0.92 3.86 -1.84 -2.07 115.15 116.26 1s9r h HIS 110 Ca 0.14 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1s9r h HIS 110 Cb 0.40 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1s9r h HIS 110 CO 0.03 0.53 0.30 0.87 0.86 0.00 0.00 177.93 180.52 1s9r h LYS 111 N 0.05 0.61 -0.22 2.45 1.57 -0.77 0.23 116.57 120.50 1s9r h LYS 111 Ca -0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1s9r h LYS 111 Cb 0.87 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1s9r h LYS 111 CO 0.07 0.41 0.03 0.28 -0.57 0.00 0.00 179.45 179.67 1s9r h VAL 112 N 0.63 1.23 -0.56 0.50 2.07 -1.28 0.12 116.25 118.96 1s9r h VAL 112 Ca 0.17 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1s9r h VAL 112 Cb -0.06 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1s9r h VAL 112 CO -0.04 0.24 0.34 0.58 0.02 0.00 0.00 177.57 178.71 1s9r h VAL 113 N 0.16 1.17 -0.48 2.57 2.07 -1.19 -1.38 116.25 119.18 1s9r h VAL 113 Ca 0.07 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 1s9r h VAL 113 Cb 0.33 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1s9r h VAL 113 CO 0.00 0.17 -0.21 0.58 0.02 0.00 0.00 177.57 178.14 1s9r h VAL 114 N 0.75 1.27 -0.68 2.57 2.07 -0.47 -2.18 116.25 119.57 1s9r h VAL 114 Ca 0.20 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.39 1s9r h VAL 114 Cb -0.02 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1s9r h VAL 114 CO -0.04 0.47 0.41 -0.09 0.02 0.00 0.00 177.57 178.35 1s9r h ARG 115 N 0.84 0.76 -0.54 1.57 2.43 -0.30 -0.49 114.38 118.65 1s9r h ARG 115 Ca 0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1s9r h ARG 115 Cb 0.78 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1s9r h ARG 115 CO 0.07 0.50 0.16 -0.91 -1.51 0.00 0.00 179.97 178.28 1s9r h ASN 116 N 0.79 0.79 -0.52 -3.80 2.35 -1.16 0.74 115.58 114.77 1s9r h ASN 116 Ca 0.29 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1s9r h ASN 116 Cb 0.08 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1s9r h ASN 116 CO -0.13 0.79 0.34 0.15 -1.65 0.00 0.00 177.43 176.93 1s9r h PHE 117 N 0.75 0.66 -0.21 1.19 3.57 -1.00 -1.16 116.94 120.74 1s9r h PHE 117 Ca 0.17 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1s9r h PHE 117 Cb 0.29 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1s9r h PHE 117 CO 0.02 0.42 0.03 -0.07 -2.23 0.00 0.00 178.31 176.47 1s9r h LEU 118 N 0.70 0.34 -2.09 0.59 3.38 -0.77 -2.94 115.31 114.53 1s9r h LEU 118 Ca 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1s9r h LEU 118 Cb -0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1s9r h LEU 118 CO -0.04 0.52 -0.07 0.11 0.09 0.00 0.00 178.44 179.05 1s9r h LYS 119 N 0.14 0.00 -0.00 1.13 1.79 -0.61 -2.03 116.57 116.99 1s9r h LYS 119 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1s9r h LYS 119 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1s9r h LYS 119 CO 0.01 0.07 -0.17 0.00 -1.08 0.00 0.00 179.45 178.28 1s9r n ALA 120 N -2.36 2.74 -1.72 3.86 0.00 -0.46 -4.87 120.51 117.70 1s9r n ALA 120 Ca -0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1s9r n ALA 120 Cb 0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1s9r n ALA 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s9r n LYS 121 N -1.49 2.76 0.22 0.00 4.76 -0.77 -4.90 118.16 118.75 1s9r n LYS 121 Ca 0.07 1.00 0.08 0.00 -2.87 0.00 0.00 58.31 56.58 1s9r n LYS 121 Cb 0.34 -2.83 0.52 0.00 -1.84 0.00 0.00 35.03 31.22 1s9r n LYS 121 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1s9r h LYS 122 N 6.45 0.00 -4.75 1.97 1.79 -1.90 -3.45 116.57 116.68 1s9r h LYS 122 Ca -0.44 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.77 1s9r h LYS 122 Cb 1.21 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.69 1s9r h LYS 122 CO 0.93 0.24 -0.72 0.95 -1.08 0.00 0.00 179.45 179.78 1s9r s THR 123 N -4.09 0.76 0.37 -0.16 -4.23 -1.26 -5.03 115.64 102.01 1s9r s THR 123 Ca -0.02 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 1s9r s THR 123 Cb 0.13 -1.39 0.13 0.00 1.34 0.00 0.00 72.50 72.71 1s9r s THR 123 CO 0.65 -0.68 1.87 0.77 -0.54 0.00 0.00 174.62 176.69 1s9r h SER 124 N 3.43 0.18 -0.60 3.99 4.64 -1.92 -2.33 113.55 120.93 1s9r h SER 124 Ca -0.36 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 1s9r h SER 124 Cb 1.18 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1s9r h SER 124 CO 0.56 0.41 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.84 1s9r h ARG 125 N 0.17 1.07 -0.43 4.77 2.43 -1.93 -0.76 114.38 119.70 1s9r h ARG 125 Ca 0.03 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1s9r h ARG 125 Cb 0.50 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1s9r h ARG 125 CO 0.03 1.04 -0.09 0.93 -1.51 0.00 0.00 179.97 180.37 1s9r h GLU 126 N 0.97 0.76 -0.32 0.20 5.08 -1.91 0.10 114.58 119.47 1s9r h GLU 126 Ca 0.17 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1s9r h GLU 126 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1s9r h GLU 126 CO 0.03 0.83 0.13 1.25 -1.00 0.00 0.00 179.01 180.26 1s9r h LEU 127 N 0.70 0.44 -0.43 1.33 5.85 -1.04 -1.94 115.31 120.21 1s9r h LEU 127 Ca 0.12 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1s9r h LEU 127 Cb 0.56 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1s9r h LEU 127 CO 0.03 0.48 -0.10 0.58 -0.34 0.00 0.00 178.44 179.09 1s9r h VAL 128 N 0.38 1.27 -0.61 1.05 2.07 -0.83 -2.25 116.25 117.33 1s9r h VAL 128 Ca 0.11 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1s9r h VAL 128 Cb 0.17 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1s9r h VAL 128 CO -0.01 0.41 0.35 -0.33 0.02 0.00 0.00 177.57 178.01 1s9r h GLU 129 N 0.66 0.66 -0.15 1.57 5.08 -0.70 -2.12 114.58 119.58 1s9r h GLU 129 Ca 0.11 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1s9r h GLU 129 Cb 0.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1s9r h GLU 129 CO 0.04 0.44 -0.45 0.97 -1.00 0.00 0.00 179.01 179.01 1s9r h ILE 130 N 0.68 1.32 -0.15 3.13 6.09 -1.25 0.17 117.51 127.50 1s9r h ILE 130 Ca 0.26 -1.64 -0.08 0.00 -1.37 0.00 0.00 64.86 62.02 1s9r h ILE 130 Cb 0.08 1.70 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 1s9r h ILE 130 CO -0.13 0.50 -0.25 0.24 -3.07 0.00 0.00 178.15 175.44 1s9r h MET 131 N 0.31 0.28 0.08 2.19 2.86 -1.00 -2.29 114.93 117.35 1s9r h MET 131 Ca 0.02 -0.09 -0.26 0.00 -2.06 0.00 0.00 59.70 57.31 1s9r h MET 131 Cb 0.92 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.57 1s9r h MET 131 CO 0.08 0.51 -1.13 0.52 1.06 0.00 0.00 176.91 177.95 1s9r h MET 132 N 0.25 0.43 -0.13 1.72 2.86 -0.97 -3.36 114.93 115.73 1s9r h MET 132 Ca 0.04 -0.57 -0.11 0.00 -2.06 0.00 0.00 59.70 57.00 1s9r h MET 132 Cb 0.58 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1s9r h MET 132 CO 0.04 1.22 -0.39 0.00 1.06 0.00 0.00 176.91 178.84 1s9r h ALA 133 N 0.56 1.10 0.00 6.32 0.00 -0.73 -2.34 119.26 124.16 1s9r h ALA 133 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1s9r h ALA 133 Cb 1.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1s9r h ALA 133 CO 0.20 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1s9r n GLY 134 N -0.20 1.72 2.84 0.00 0.00 -0.88 -3.98 105.19 104.69 1s9r n GLY 134 Ca -0.01 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 1s9r n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9r s ILE 135 N -2.57 0.35 0.37 -0.61 1.01 0.84 -4.86 121.20 115.72 1s9r s ILE 135 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1s9r s ILE 135 Cb 0.00 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 1s9r s ILE 135 CO 0.00 0.19 0.50 0.42 0.00 0.00 0.00 174.94 176.05 1s9r s THR 136 N 1.12 3.66 0.40 2.92 -4.23 -1.26 -0.58 115.64 117.67 1s9r s THR 136 Ca -0.08 -1.01 0.16 0.00 -1.18 0.00 0.00 61.69 59.58 1s9r s THR 136 Cb -0.14 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.61 1s9r s THR 136 CO -0.01 -0.10 1.93 0.07 -0.54 0.00 0.00 174.62 175.97 1s9r h LYS 137 N 0.81 0.00 -0.50 3.99 2.10 -1.33 -1.98 116.57 119.66 1s9r h LYS 137 Ca -0.44 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.12 1s9r h LYS 137 Cb 1.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1s9r h LYS 137 CO 0.50 0.25 -0.07 1.88 -2.00 0.00 0.00 179.45 180.02 1s9r h TYR 138 N 0.00 0.97 -0.68 0.07 -1.99 -1.82 0.34 116.97 113.86 1s9r h TYR 138 Ca -0.00 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.51 1s9r h TYR 138 Cb 0.47 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 1s9r h TYR 138 CO 0.00 0.91 0.24 -0.44 -0.00 0.00 0.00 178.16 178.87 1s9r h ASP 139 N 0.80 0.96 1.25 3.88 3.32 -1.76 -2.97 116.42 121.92 1s9r h ASP 139 Ca 0.14 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1s9r h ASP 139 Cb 0.58 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1s9r h ASP 139 CO 0.04 0.89 -0.10 0.18 -1.72 0.00 0.00 179.24 178.53 1s9r n LEU 140 N -4.36 0.61 -1.22 1.55 4.77 -0.96 -4.95 117.00 112.44 1s9r n LEU 140 Ca 0.05 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1s9r n LEU 140 Cb 0.20 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1s9r n LEU 140 CO 0.40 -0.11 -0.14 0.61 -1.33 0.00 0.00 177.39 176.82 1s9r n GLY 141 N 1.36 0.12 3.55 -0.72 0.00 0.05 -5.02 105.19 104.53 1s9r n GLY 141 Ca 0.06 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1s9r n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s9r s ILE 142 N -2.54 2.92 0.13 -0.61 -4.36 -0.85 -5.05 121.20 110.84 1s9r s ILE 142 Ca 0.00 -2.16 -0.21 0.00 -0.26 0.00 0.00 60.65 58.02 1s9r s ILE 142 Cb 0.00 -2.54 -0.07 0.00 1.25 0.00 0.00 42.46 41.10 1s9r s ILE 142 CO 0.00 -0.37 0.65 -1.61 0.24 0.00 0.00 174.94 173.85 1s9r s GLU 143 N -3.54 4.30 0.17 0.37 0.41 -1.26 -4.62 118.70 114.54 1s9r s GLU 143 Ca 0.30 0.87 -0.22 0.00 -0.41 0.00 0.00 54.97 55.51 1s9r s GLU 143 Cb -0.06 -3.16 0.06 0.00 -1.78 0.00 0.00 34.13 29.18 1s9r s GLU 143 CO 0.17 0.57 0.59 0.00 -0.49 0.00 0.00 175.26 176.10 1s9r s ALA 144 N -1.21 -1.44 -2.30 5.21 0.00 -1.26 -5.05 121.76 115.71 1s9r s ALA 144 Ca 0.34 0.28 0.21 0.00 0.00 0.00 0.00 51.96 52.79 1s9r s ALA 144 Cb -0.20 0.86 0.74 0.00 0.00 0.00 0.00 23.12 24.52 1s9r s ALA 144 CO 0.22 -0.80 1.54 -0.40 0.00 0.00 0.00 175.76 176.32 1s9r n ASP 145 N -0.37 1.76 -3.97 0.00 3.85 -1.26 -4.83 116.55 111.73 1s9r n ASP 145 Ca -0.15 -1.72 -0.09 0.00 -0.71 0.00 0.00 54.79 52.12 1s9r n ASP 145 Cb 0.64 -0.11 -0.11 0.00 -1.35 0.00 0.00 41.12 40.19 1s9r n ASP 145 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 1s9r s HIS 146 N -1.78 0.24 0.13 2.11 -3.43 -1.26 -5.07 115.29 106.23 1s9r s HIS 146 Ca 0.33 -0.49 -0.02 0.00 -0.80 0.00 0.00 55.06 54.08 1s9r s HIS 146 Cb 0.18 -0.18 -0.11 0.00 -1.43 0.00 0.00 32.58 31.04 1s9r s HIS 146 CO 0.27 -0.17 1.29 0.93 -2.00 0.00 0.00 174.74 175.05 1s9r h GLU 147 N 4.77 0.30 -4.88 -0.38 5.08 -1.98 -3.43 114.58 114.06 1s9r h GLU 147 Ca -0.31 -0.36 -0.69 0.00 -1.00 0.00 0.00 59.36 56.99 1s9r h GLU 147 Cb 1.21 0.11 -0.19 0.00 0.50 0.00 0.00 28.75 30.39 1s9r h GLU 147 CO 0.42 1.08 -0.08 -0.51 -1.00 0.00 0.00 179.01 178.92 1s9r s LEU 148 N -7.48 4.98 0.12 1.33 1.43 -1.26 -1.00 118.68 116.79 1s9r s LEU 148 Ca -0.04 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.16 1s9r s LEU 148 Cb 0.09 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.77 1s9r s LEU 148 CO 0.86 -0.74 1.29 0.40 0.23 0.00 0.00 176.35 178.38 1s9r h ILE 149 N 5.80 1.36 -3.37 -0.59 1.08 -1.10 -3.43 117.51 117.27 1s9r h ILE 149 Ca -0.27 -2.34 -0.45 0.00 -0.39 0.00 0.00 64.86 61.41 1s9r h ILE 149 Cb 1.10 2.36 -0.35 0.00 -3.07 0.00 0.00 36.82 36.86 1s9r h ILE 149 CO 0.89 0.71 -0.78 -0.69 -0.69 0.00 0.00 178.15 177.59 1s9r s VAL 150 N -3.34 0.65 0.73 1.67 1.01 -0.84 -4.33 120.40 115.95 1s9r s VAL 150 Ca -0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1s9r s VAL 150 Cb 0.08 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1s9r s VAL 150 CO 0.88 0.27 1.14 -1.81 0.00 0.00 0.00 175.10 175.58 1s9r s ASP 151 N 1.21 4.46 0.98 3.32 1.01 0.67 -0.11 116.67 128.21 1s9r s ASP 151 Ca -0.06 2.11 -0.13 0.00 0.71 0.00 0.00 52.55 55.18 1s9r s ASP 151 Cb -0.14 -2.56 0.18 0.00 1.01 0.00 0.00 42.92 41.41 1s9r s ASP 151 CO -0.02 -2.07 1.11 -2.16 0.21 0.00 0.00 175.17 172.25 1s9r s PRO 152 N -4.23 0.59 -0.70 8.23 0.04 -1.26 -4.04 135.00 133.63 1s9r s PRO 152 Ca 0.68 0.38 0.05 0.00 0.04 0.00 0.00 61.00 62.15 1s9r s PRO 152 Cb -0.23 -1.77 0.21 0.00 0.04 0.00 0.00 34.50 32.76 1s9r s PRO 152 CO 0.47 -2.59 0.66 -1.33 0.04 0.00 0.00 177.00 174.25 1s9r n MET 153 N -4.06 2.29 0.32 4.56 2.81 -0.88 -4.89 117.12 117.27 1s9r n MET 153 Ca 0.06 -4.58 0.20 0.00 -1.81 0.00 0.00 57.70 51.57 1s9r n MET 153 Cb 0.58 -2.29 1.07 0.00 -0.71 0.00 0.00 33.22 31.87 1s9r n MET 153 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1s9r h PRO 154 N 4.85 0.00 -0.11 0.03 0.13 -1.83 -2.57 132.00 132.49 1s9r h PRO 154 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1s9r h PRO 154 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1s9r h PRO 154 CO 0.80 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1s9r n ASN 155 N -3.20 1.01 0.07 1.44 3.02 -1.26 -4.32 115.26 112.01 1s9r n ASN 155 Ca -0.02 -1.65 0.18 0.00 -0.03 0.00 0.00 54.58 53.05 1s9r n ASN 155 Cb 0.12 -0.07 0.70 0.00 -0.61 0.00 0.00 39.78 39.92 1s9r n ASN 155 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s9r h LEU 156 N 1.30 0.00 -0.75 3.41 3.38 -1.85 0.45 115.31 121.26 1s9r h LEU 156 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s9r h LEU 156 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s9r h LEU 156 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1s9r n TYR 157 N -4.33 0.56 -2.71 1.13 0.18 -1.26 -3.43 117.16 107.30 1s9r n TYR 157 Ca 0.07 0.25 -0.43 0.00 1.88 0.00 0.00 57.90 59.67 1s9r n TYR 157 Cb 0.49 -0.90 0.00 0.00 -0.38 0.00 0.00 39.34 38.55 1s9r n TYR 157 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1s9r n PHE 158 N -2.04 3.72 0.70 -3.48 3.01 0.15 -4.41 117.46 115.11 1s9r n PHE 158 Ca 0.01 -3.05 0.08 0.00 1.01 0.00 0.00 57.45 55.50 1s9r n PHE 158 Cb 0.13 -1.92 0.38 0.00 -0.01 0.00 0.00 39.48 38.06 1s9r n PHE 158 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1s9r n THR 159 N 3.44 0.62 0.24 4.37 -2.24 -1.09 -2.45 114.28 117.17 1s9r n THR 159 Ca 0.36 0.16 0.08 0.00 -2.27 0.00 0.00 64.05 62.37 1s9r n THR 159 Cb 0.38 -0.90 0.58 0.00 -2.10 0.00 0.00 70.33 68.29 1s9r n THR 159 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1s9r h ARG 160 N 0.00 0.00 0.07 -0.78 9.65 -1.28 -3.39 114.38 118.65 1s9r h ARG 160 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 1s9r h ARG 160 Cb 0.16 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 1s9r h ARG 160 CO 0.00 0.18 -1.96 -0.25 2.80 0.00 0.00 179.97 180.74 1s9r n ASP 161 N -4.02 1.62 -0.28 -3.80 8.00 -1.02 -3.84 116.55 113.21 1s9r n ASP 161 Ca -0.02 0.24 -0.05 0.00 0.71 0.00 0.00 54.79 55.67 1s9r n ASP 161 Cb 0.26 -0.49 0.09 0.00 -0.02 0.00 0.00 41.12 40.96 1s9r n ASP 161 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1s9r h PRO 162 N 0.04 1.16 -3.86 -0.24 0.11 -1.79 -0.46 132.00 126.96 1s9r h PRO 162 Ca -0.40 -0.19 -0.10 0.00 0.11 0.00 0.00 66.00 65.42 1s9r h PRO 162 Cb 2.03 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 32.79 1s9r h PRO 162 CO 0.07 0.92 -0.45 -0.59 -0.21 0.00 0.00 178.00 177.75 1s9r s PHE 163 N -5.58 0.22 -0.03 0.65 -0.12 -1.26 -1.33 117.98 110.53 1s9r s PHE 163 Ca -0.12 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 1s9r s PHE 163 Cb 0.16 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1s9r s PHE 163 CO 0.83 -0.48 -0.11 0.00 -0.05 0.00 0.00 175.22 175.41 1s9r s ALA 164 N -3.61 1.04 0.11 1.99 0.00 0.03 -4.77 121.76 116.55 1s9r s ALA 164 Ca 0.03 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 1s9r s ALA 164 Cb 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 1s9r s ALA 164 CO -0.09 0.18 1.25 -1.12 0.00 0.00 0.00 175.76 175.98 1s9r s SER 165 N 0.14 7.00 -0.36 0.00 0.01 -1.26 -1.01 113.70 118.22 1s9r s SER 165 Ca -0.03 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1s9r s SER 165 Cb -0.09 -2.59 0.12 0.00 0.21 0.00 0.00 66.02 63.67 1s9r s SER 165 CO 0.01 -0.50 0.18 -0.69 0.41 0.00 0.00 173.24 172.65 1s9r s VAL 166 N 0.81 0.71 0.00 3.43 1.01 0.13 -4.91 120.40 121.57 1s9r s VAL 166 Ca 0.59 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1s9r s VAL 166 Cb -0.32 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1s9r s VAL 166 CO 0.31 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1s9r n GLY 167 N 4.22 3.20 0.70 4.51 0.00 0.27 -1.24 105.19 116.84 1s9r n GLY 167 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1s9r n GLY 167 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s9r n ASN 168 N 9.10 3.39 -3.08 1.61 2.04 -1.26 -0.27 115.26 126.79 1s9r n ASN 168 Ca 0.00 -2.70 -0.12 0.00 -0.44 0.00 0.00 54.58 51.32 1s9r n ASN 168 Cb 0.00 -0.42 -0.02 0.00 -2.53 0.00 0.00 39.78 36.81 1s9r n ASN 168 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1s9r n GLY 169 N -0.32 3.57 3.07 4.83 0.00 -0.38 -4.26 105.19 111.71 1s9r n GLY 169 Ca 0.17 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 1s9r n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9r s VAL 170 N -1.48 0.10 -0.18 1.61 0.11 -0.46 -0.69 120.40 119.40 1s9r s VAL 170 Ca 0.04 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1s9r s VAL 170 Cb -0.00 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1s9r s VAL 170 CO 0.03 -0.45 -0.09 0.42 -3.33 0.00 0.00 175.10 171.68 1s9r s THR 171 N -1.56 3.20 -0.23 5.04 -4.23 -0.18 -0.79 115.64 116.89 1s9r s THR 171 Ca -0.14 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1s9r s THR 171 Cb -0.08 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1s9r s THR 171 CO 0.00 0.48 0.06 -0.63 -0.54 0.00 0.00 174.62 173.99 1s9r s ILE 172 N 0.94 4.37 0.33 2.99 1.01 -0.56 -0.79 121.20 129.49 1s9r s ILE 172 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1s9r s ILE 172 Cb -0.15 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1s9r s ILE 172 CO -0.00 0.37 0.59 -1.00 0.00 0.00 0.00 174.94 174.91 1s9r s HIS 173 N 1.28 3.49 -0.46 3.97 3.76 -0.44 -2.40 115.29 124.49 1s9r s HIS 173 Ca 0.05 0.63 -0.15 0.00 -0.15 0.00 0.00 55.06 55.43 1s9r s HIS 173 Cb -0.15 -2.11 0.07 0.00 1.11 0.00 0.00 32.58 31.50 1s9r s HIS 173 CO 0.03 0.09 0.39 -0.47 -0.85 0.00 0.00 174.74 173.93 1s9r s TYR 174 N -2.23 3.24 0.66 1.40 5.04 -1.26 -4.14 117.35 120.07 1s9r s TYR 174 Ca 0.44 -0.88 -0.10 0.00 -2.44 0.00 0.00 57.07 54.09 1s9r s TYR 174 Cb -0.10 -3.10 0.01 0.00 0.35 0.00 0.00 41.96 39.12 1s9r s TYR 174 CO 0.33 -0.77 1.04 -1.64 -1.34 0.00 0.00 175.55 173.17 1s9r s MET 175 N 1.66 2.97 0.07 4.97 -1.94 -1.26 -1.87 119.30 123.89 1s9r s MET 175 Ca 0.04 0.38 -0.20 0.00 -1.71 0.00 0.00 55.69 54.20 1s9r s MET 175 Cb -0.24 -2.10 -0.11 0.00 2.01 0.00 0.00 34.83 34.40 1s9r s MET 175 CO 0.07 -0.88 1.46 -0.09 -0.01 0.00 0.00 175.02 175.57 1s9r h ARG 176 N -0.48 0.38 -6.38 2.03 9.65 -1.84 -3.45 114.38 114.29 1s9r h ARG 176 Ca -0.45 -0.14 -0.67 0.00 -1.10 0.00 0.00 59.98 57.62 1s9r h ARG 176 Cb 1.25 -0.02 -0.18 0.00 -1.39 0.00 0.00 29.97 29.63 1s9r h ARG 176 CO 0.63 0.62 -0.72 0.71 2.80 0.00 0.00 179.97 184.01 1s9r s TYR 177 N -4.79 2.81 0.30 2.20 1.51 -1.26 -5.02 117.35 113.11 1s9r s TYR 177 Ca -0.14 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1s9r s TYR 177 Cb 0.06 -1.56 0.59 0.00 -0.11 0.00 0.00 41.96 40.95 1s9r s TYR 177 CO 0.74 0.36 1.87 -0.22 -1.11 0.00 0.00 175.55 177.19 1s9r h LYS 178 N 4.35 0.93 -0.42 -0.62 1.63 -1.97 0.46 116.57 120.94 1s9r h LYS 178 Ca -0.48 -0.06 0.12 0.00 -0.85 0.00 0.00 60.65 59.38 1s9r h LYS 178 Cb 1.17 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 1s9r h LYS 178 CO 0.53 0.62 0.32 -0.24 -3.45 0.00 0.00 179.45 177.22 1s9r h VAL 179 N 0.96 0.72 0.00 2.00 3.04 -1.95 -2.41 116.25 118.61 1s9r h VAL 179 Ca 0.45 0.00 -0.37 0.00 -1.01 0.00 0.00 66.70 65.78 1s9r h VAL 179 Cb 0.42 0.78 -0.07 0.00 -2.01 0.00 0.00 31.29 30.41 1s9r h VAL 179 CO -0.21 0.00 -2.37 0.54 -1.01 0.00 0.00 177.57 174.51 1s9r n ARG 180 N -4.30 0.74 -0.32 4.17 1.74 -0.42 -4.36 116.66 113.90 1s9r n ARG 180 Ca 0.07 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.31 1s9r n ARG 180 Cb 0.51 -1.51 0.40 0.00 -1.02 0.00 0.00 32.46 30.84 1s9r n ARG 180 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1s9r h GLN 181 N 0.00 0.61 -0.01 5.56 4.20 -0.47 0.04 115.11 125.03 1s9r h GLN 181 Ca -0.54 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1s9r h GLN 181 Cb 2.20 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.84 1s9r h GLN 181 CO 0.02 0.40 0.03 0.00 -0.67 0.00 0.00 178.83 178.60 1s9r h ARG 182 N 0.62 0.00 0.00 1.46 3.08 -1.69 -1.67 114.38 116.18 1s9r h ARG 182 Ca 0.54 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.59 1s9r h ARG 182 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 1s9r h ARG 182 CO -0.30 0.00 -0.04 0.93 -1.07 0.00 0.00 179.97 179.49 1s9r h GLU 183 N 0.00 0.00 0.00 0.04 5.08 -1.23 -2.88 114.58 115.59 1s9r h GLU 183 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1s9r h GLU 183 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s9r h GLU 183 CO -0.00 0.04 0.00 0.25 -1.00 0.00 0.00 179.01 178.30 1s9r n THR 184 N -3.16 0.72 -0.27 1.13 -2.24 -0.63 -2.36 114.28 107.47 1s9r n THR 184 Ca 0.00 0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.93 1s9r n THR 184 Cb 0.32 -0.87 0.08 0.00 -2.10 0.00 0.00 70.33 67.75 1s9r n THR 184 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1s9r h LEU 185 N 0.00 0.82 -0.70 3.22 5.85 -1.69 -1.45 115.31 121.35 1s9r h LEU 185 Ca 0.00 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1s9r h LEU 185 Cb 0.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1s9r h LEU 185 CO 0.00 0.58 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.97 1s9r h PHE 186 N 0.97 0.57 -0.13 1.25 -1.00 -1.71 -1.37 116.94 115.51 1s9r h PHE 186 Ca 0.29 -0.17 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 1s9r h PHE 186 Cb -0.05 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1s9r h PHE 186 CO -0.03 0.83 0.04 0.77 -1.61 0.00 0.00 178.31 178.32 1s9r h SER 187 N 0.38 0.19 -0.44 2.17 0.02 -1.54 -1.57 113.55 112.77 1s9r h SER 187 Ca 0.03 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1s9r h SER 187 Cb 0.93 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1s9r h SER 187 CO 0.08 0.34 0.23 0.03 -1.14 0.00 0.00 176.83 176.37 1s9r h ARG 188 N 0.04 0.62 -0.28 3.45 3.08 -1.20 -2.53 114.38 117.56 1s9r h ARG 188 Ca 0.04 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1s9r h ARG 188 Cb 0.21 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1s9r h ARG 188 CO -0.00 0.51 0.07 0.35 -1.07 0.00 0.00 179.97 179.83 1s9r h PHE 189 N 0.57 0.12 -0.17 3.04 3.57 -1.04 -0.60 116.94 122.43 1s9r h PHE 189 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 1s9r h PHE 189 Cb 0.08 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1s9r h PHE 189 CO -0.02 0.04 -0.54 -0.39 -2.23 0.00 0.00 178.31 175.17 1s9r h VAL 190 N 0.18 1.33 0.00 1.41 -1.51 -1.23 -2.43 116.25 114.00 1s9r h VAL 190 Ca 0.13 -1.80 -0.08 0.00 -1.23 0.00 0.00 66.70 63.71 1s9r h VAL 190 Cb 0.12 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1s9r h VAL 190 CO -0.15 0.55 -0.40 -0.26 -1.23 0.00 0.00 177.57 176.09 1s9r h PHE 191 N 0.38 0.00 0.00 5.19 -1.00 -1.26 -1.02 116.94 119.23 1s9r h PHE 191 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1s9r h PHE 191 Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1s9r h PHE 191 CO 0.04 0.40 -0.48 0.43 -1.61 0.00 0.00 178.31 177.09 1s9r n SER 192 N -3.44 0.64 0.00 2.17 7.64 -0.25 -3.36 113.62 117.02 1s9r n SER 192 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1s9r n SER 192 Cb 0.56 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1s9r n SER 192 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1s9r n ASN 193 N -2.00 2.88 -4.70 6.43 3.02 -0.93 -4.90 115.26 115.07 1s9r n ASN 193 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 1s9r n ASN 193 Cb 0.42 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 1s9r n ASN 193 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s9r s HIS 194 N -1.41 3.37 0.41 3.10 2.46 -0.39 -4.86 115.29 117.96 1s9r s HIS 194 Ca 0.00 1.35 0.17 0.00 0.47 0.00 0.00 55.06 57.05 1s9r s HIS 194 Cb 0.00 -3.35 1.06 0.00 -0.13 0.00 0.00 32.58 30.15 1s9r s HIS 194 CO 0.00 -0.99 1.84 -1.00 -2.47 0.00 0.00 174.74 172.11 1s9r h PRO 195 N 7.12 0.43 0.00 2.88 0.13 -1.96 0.55 132.00 141.14 1s9r h PRO 195 Ca -0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1s9r h PRO 195 Cb 1.19 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s9r h PRO 195 CO 0.84 0.28 0.00 1.63 -0.23 0.00 0.00 178.00 180.52 1s9r n LYS 196 N -4.54 0.19 0.00 0.86 4.76 -1.26 -3.80 118.16 114.36 1s9r n LYS 196 Ca 0.21 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1s9r n LYS 196 Cb 0.72 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1s9r n LYS 196 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1s9r n LEU 197 N -1.40 0.00 -0.08 -0.35 4.77 -0.19 -4.27 117.00 115.48 1s9r n LEU 197 Ca 0.10 -0.08 0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1s9r n LEU 197 Cb 0.27 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.95 1s9r n LEU 197 CO 0.23 0.00 1.20 -0.29 -1.33 0.00 0.00 177.39 177.20 1s9r h ILE 198 N 0.00 0.77 -0.11 -0.08 2.10 0.01 -1.60 117.51 118.59 1s9r h ILE 198 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1s9r h ILE 198 Cb 0.00 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 1s9r h ILE 198 CO 0.00 0.04 0.00 0.59 -1.08 0.00 0.00 178.15 177.70 1s9r n ASN 199 N -4.42 1.10 -4.70 2.19 3.02 -1.26 -4.87 115.26 106.31 1s9r n ASN 199 Ca 0.12 -1.63 -0.42 0.00 -0.03 0.00 0.00 54.58 52.62 1s9r n ASN 199 Cb 0.57 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 1s9r n ASN 199 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s9r s THR 200 N -1.86 3.77 0.36 3.41 2.01 -0.60 -5.00 115.64 117.73 1s9r s THR 200 Ca 0.30 1.20 -0.25 0.00 0.31 0.00 0.00 61.69 63.24 1s9r s THR 200 Cb 0.15 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1s9r s THR 200 CO 0.24 0.03 1.03 -2.16 -0.69 0.00 0.00 174.62 173.07 1s9r s PRO 201 N 1.88 4.35 -0.11 4.92 0.04 -1.26 -4.87 135.00 139.95 1s9r s PRO 201 Ca 0.62 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 1s9r s PRO 201 Cb -0.31 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 1s9r s PRO 201 CO 0.27 0.03 0.07 -1.58 0.04 0.00 0.00 177.00 175.83 1s9r s TRP 202 N -1.56 3.38 -1.38 0.56 0.52 -1.26 -1.36 118.94 117.84 1s9r s TRP 202 Ca 0.53 0.35 0.14 0.00 0.02 0.00 0.00 56.10 57.14 1s9r s TRP 202 Cb -0.23 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1s9r s TRP 202 CO 0.29 0.58 0.81 0.66 0.02 0.00 0.00 176.95 179.31 1s9r n TYR 203 N 2.17 0.00 -3.54 -1.98 0.53 0.03 -4.92 117.16 109.45 1s9r n TYR 203 Ca -0.19 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.53 1s9r n TYR 203 Cb 0.54 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.79 1s9r n TYR 203 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 1s9r s TYR 204 N -1.58 -0.61 0.04 -0.72 5.04 -1.26 -4.76 117.35 113.51 1s9r s TYR 204 Ca 0.13 1.10 -0.07 0.00 -2.44 0.00 0.00 57.07 55.78 1s9r s TYR 204 Cb 0.11 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.82 1s9r s TYR 204 CO 0.31 -0.52 0.14 0.16 -1.34 0.00 0.00 175.55 174.30 1s9r s ASP 205 N -1.00 0.11 0.51 4.32 -4.77 -1.01 -1.49 116.67 113.35 1s9r s ASP 205 Ca -0.08 -0.46 0.28 0.00 -3.30 0.00 0.00 52.55 48.99 1s9r s ASP 205 Cb -0.01 0.25 1.39 0.00 -1.09 0.00 0.00 42.92 43.47 1s9r s ASP 205 CO 0.07 -0.53 1.90 -0.65 0.70 0.00 0.00 175.17 176.66 1s9r h PRO 206 N 3.57 0.08 0.00 2.11 0.11 -1.68 -2.05 132.00 134.14 1s9r h PRO 206 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s9r h PRO 206 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s9r h PRO 206 CO 0.49 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.20 1s9r n SER 207 N -4.33 0.51 0.17 -2.05 3.41 -1.26 -2.65 113.62 107.42 1s9r n SER 207 Ca 0.17 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.59 1s9r n SER 207 Cb 0.86 -0.76 0.54 0.00 -0.26 0.00 0.00 64.21 64.58 1s9r n SER 207 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s9r h LEU 208 N 0.00 0.00 0.96 1.04 3.38 -1.77 -3.47 115.31 115.45 1s9r h LEU 208 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1s9r h LEU 208 Cb 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 1s9r h LEU 208 CO 0.00 0.00 -0.30 0.29 0.09 0.00 0.00 178.44 178.52 1s9r n LYS 209 N -2.44 -1.39 -4.61 1.13 4.76 -1.08 -4.96 118.16 109.56 1s9r n LYS 209 Ca 0.02 0.97 -0.33 0.00 -2.87 0.00 0.00 58.31 56.09 1s9r n LYS 209 Cb 0.25 -5.27 -0.14 0.00 -1.84 0.00 0.00 35.03 28.03 1s9r n LYS 209 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s9r s LEU 210 N -4.06 2.88 0.15 -0.35 1.43 -1.26 -5.08 118.68 112.38 1s9r s LEU 210 Ca 0.00 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 1s9r s LEU 210 Cb 0.00 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 1s9r s LEU 210 CO 0.00 0.15 1.48 -0.55 0.23 0.00 0.00 176.35 177.66 1s9r s SER 211 N 0.43 6.70 -0.23 2.29 0.15 -1.26 -4.43 113.70 117.35 1s9r s SER 211 Ca -0.08 2.48 -0.26 0.00 0.70 0.00 0.00 55.95 58.79 1s9r s SER 211 Cb -0.15 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.64 1s9r s SER 211 CO 0.04 -0.74 0.75 -0.51 1.20 0.00 0.00 173.24 173.98 1s9r s ILE 212 N 1.05 0.00 0.05 6.45 2.07 -0.78 -2.32 121.20 127.72 1s9r s ILE 212 Ca 0.67 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1s9r s ILE 212 Cb -0.40 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.16 1s9r s ILE 212 CO 0.31 0.00 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.67 1s9r s GLU 213 N 0.04 0.54 0.54 3.50 2.02 -1.26 -4.07 118.70 120.01 1s9r s GLU 213 Ca -0.02 -0.88 0.22 0.00 0.02 0.00 0.00 54.97 54.30 1s9r s GLU 213 Cb -0.04 -0.13 1.45 0.00 0.10 0.00 0.00 34.13 35.51 1s9r s GLU 213 CO 0.02 -0.00 2.16 0.78 0.02 0.00 0.00 175.26 178.24 1s9r h GLY 214 N 4.10 0.00 2.00 -1.39 0.00 -1.18 -1.43 103.07 105.17 1s9r h GLY 214 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1s9r h GLY 214 CO 0.48 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.69 1s9r h GLY 215 N 0.13 0.00 0.62 4.60 0.00 -1.83 -1.32 103.07 105.27 1s9r h GLY 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s9r h GLY 215 CO 0.00 0.00 -0.51 1.22 0.00 0.00 0.00 176.54 177.25 1s9r n ASP 216 N -2.80 0.74 -4.73 0.19 8.00 -0.54 -2.37 116.55 115.04 1s9r n ASP 216 Ca -0.02 -0.54 -0.35 0.00 0.71 0.00 0.00 54.79 54.59 1s9r n ASP 216 Cb 0.09 0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 1s9r n ASP 216 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s9r s VAL 217 N -2.87 5.38 -0.00 2.53 1.01 -0.50 -0.60 120.40 125.35 1s9r s VAL 217 Ca 0.14 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.46 1s9r s VAL 217 Cb 0.18 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1s9r s VAL 217 CO 0.68 0.42 -0.10 -0.36 0.00 0.00 0.00 175.10 175.74 1s9r s PHE 218 N 0.38 0.90 -0.56 5.22 0.40 0.30 -5.01 117.98 119.60 1s9r s PHE 218 Ca 0.11 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1s9r s PHE 218 Cb -0.12 -0.57 0.15 0.00 0.51 0.00 0.00 43.02 42.99 1s9r s PHE 218 CO -0.00 -0.01 0.39 0.42 0.70 0.00 0.00 175.22 176.72 1s9r s ILE 219 N -0.33 3.85 0.15 0.64 -1.09 -1.26 -1.05 121.20 122.10 1s9r s ILE 219 Ca 0.03 -2.51 -0.09 0.00 -2.23 0.00 0.00 60.65 55.85 1s9r s ILE 219 Cb -0.04 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1s9r s ILE 219 CO -0.00 -0.83 1.45 1.88 -1.23 0.00 0.00 174.94 176.21 1s9r h TYR 220 N 7.58 1.01 -2.24 3.97 0.99 -1.64 -1.92 116.97 124.72 1s9r h TYR 220 Ca -0.07 -0.35 0.03 0.00 2.00 0.00 0.00 58.73 60.35 1s9r h TYR 220 Cb 1.00 -0.20 -0.00 0.00 1.00 0.00 0.00 36.73 38.53 1s9r h TYR 220 CO 0.69 1.15 0.20 0.27 -0.00 0.00 0.00 178.16 180.46 1s9r n ASN 221 N -4.01 -0.92 0.29 3.88 0.23 -1.15 -4.53 115.26 109.06 1s9r n ASN 221 Ca -0.04 -1.57 0.17 0.00 -0.53 0.00 0.00 54.58 52.61 1s9r n ASN 221 Cb 0.60 1.51 0.84 0.00 -2.08 0.00 0.00 39.78 40.65 1s9r n ASN 221 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1s9r h ASN 222 N 0.89 0.00 0.18 0.53 4.21 -1.94 -3.17 115.58 116.28 1s9r h ASN 222 Ca -0.14 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.02 1s9r h ASN 222 Cb 0.55 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.70 1s9r h ASN 222 CO 0.18 0.06 -2.10 0.47 -1.29 0.00 0.00 177.43 174.74 1s9r n ASP 223 N -3.31 1.28 -4.20 5.81 8.00 -1.26 -4.07 116.55 118.80 1s9r n ASP 223 Ca -0.01 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 1s9r n ASP 223 Cb 0.22 -0.14 -0.17 0.00 -0.02 0.00 0.00 41.12 41.02 1s9r n ASP 223 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s9r s THR 224 N -2.55 2.01 0.12 -3.53 2.01 -1.20 0.19 115.64 112.70 1s9r s THR 224 Ca -0.17 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 60.88 1s9r s THR 224 Cb 0.07 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1s9r s THR 224 CO 0.76 0.55 0.11 -0.76 -0.69 0.00 0.00 174.62 174.59 1s9r s LEU 225 N 0.44 3.84 -0.08 4.42 1.43 -0.07 -1.77 118.68 126.89 1s9r s LEU 225 Ca -0.17 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1s9r s LEU 225 Cb -0.17 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1s9r s LEU 225 CO 0.07 0.12 -0.11 -0.69 0.23 0.00 0.00 176.35 175.97 1s9r s VAL 226 N -1.56 1.15 -0.04 -1.59 1.01 -0.21 -1.02 120.40 118.14 1s9r s VAL 226 Ca 0.30 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1s9r s VAL 226 Cb -0.11 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1s9r s VAL 226 CO 0.23 0.37 -0.11 -0.69 0.00 0.00 0.00 175.10 174.89 1s9r s VAL 227 N 0.95 0.99 0.53 2.92 1.01 0.02 -0.54 120.40 126.28 1s9r s VAL 227 Ca -0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1s9r s VAL 227 Cb -0.15 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 1s9r s VAL 227 CO 0.00 0.31 1.00 -0.83 0.00 0.00 0.00 175.10 175.58 1s9r s GLY 228 N 0.35 2.07 -0.36 4.51 0.00 0.24 -0.98 107.32 113.14 1s9r s GLY 228 Ca -0.07 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1s9r s GLY 228 CO 0.02 0.50 0.10 0.14 0.00 0.00 0.00 173.10 173.85 1s9r s VAL 229 N -2.61 2.55 0.00 1.40 1.01 -0.25 -4.66 120.40 117.84 1s9r s VAL 229 Ca 0.60 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1s9r s VAL 229 Cb -0.11 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1s9r s VAL 229 CO 0.33 -0.63 0.00 -1.54 0.00 0.00 0.00 175.10 173.26 1s9r n SER 230 N 4.31 0.34 0.21 3.32 3.41 -0.35 -1.57 113.62 123.29 1s9r n SER 230 Ca 0.02 -0.54 0.15 0.00 -0.26 0.00 0.00 58.87 58.24 1s9r n SER 230 Cb 0.42 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.03 1s9r n SER 230 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1s9r h GLU 231 N 0.00 0.00 0.00 4.33 4.22 -1.78 -3.26 114.58 118.09 1s9r h GLU 231 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1s9r h GLU 231 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s9r h GLU 231 CO 0.00 0.00 -1.26 0.54 -2.18 0.00 0.00 179.01 176.11 1s9r n ARG 232 N -2.60 0.22 -4.69 1.92 5.12 -1.16 -5.00 116.66 110.48 1s9r n ARG 232 Ca 0.00 -0.05 -0.27 0.00 -1.93 0.00 0.00 57.85 55.60 1s9r n ARG 232 Cb 0.20 -1.14 -0.17 0.00 -1.16 0.00 0.00 32.46 30.19 1s9r n ARG 232 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1s9r s THR 233 N -2.40 1.42 0.12 0.55 2.01 -1.23 -3.09 115.64 113.02 1s9r s THR 233 Ca -0.02 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1s9r s THR 233 Cb 0.04 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1s9r s THR 233 CO 0.24 0.42 0.26 -1.81 -0.69 0.00 0.00 174.62 173.04 1s9r s ASP 234 N 0.68 6.35 0.26 3.53 1.01 -0.98 -1.21 116.67 126.30 1s9r s ASP 234 Ca -0.14 0.20 -0.03 0.00 0.71 0.00 0.00 52.55 53.30 1s9r s ASP 234 Cb -0.16 -1.93 0.39 0.00 1.01 0.00 0.00 42.92 42.23 1s9r s ASP 234 CO 0.04 0.09 1.87 0.25 0.21 0.00 0.00 175.17 177.62 1s9r h LEU 235 N 2.43 0.97 -2.05 1.23 5.85 -1.92 -0.41 115.31 121.40 1s9r h LEU 235 Ca -0.47 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1s9r h LEU 235 Cb 1.18 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1s9r h LEU 235 CO 0.71 0.61 0.05 0.06 -0.34 0.00 0.00 178.44 179.53 1s9r h GLN 236 N 1.10 0.00 -0.07 1.25 3.07 -1.96 0.09 115.11 118.59 1s9r h GLN 236 Ca 0.42 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.96 1s9r h GLN 236 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.74 1s9r h GLN 236 CO -0.18 0.00 -0.77 1.15 0.09 0.00 0.00 178.83 179.13 1s9r h THR 237 N 0.00 1.37 -0.27 1.86 2.02 -1.37 -2.22 112.91 114.30 1s9r h THR 237 Ca 0.03 -2.17 -0.07 0.00 0.77 0.00 0.00 66.41 64.97 1s9r h THR 237 Cb 0.14 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1s9r h THR 237 CO -0.00 0.65 -0.15 0.58 0.37 0.00 0.00 175.52 176.97 1s9r h VAL 238 N 0.30 1.23 -0.83 3.16 2.07 -0.60 -0.96 116.25 120.63 1s9r h VAL 238 Ca -0.04 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1s9r h VAL 238 Cb 1.36 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1s9r h VAL 238 CO 0.13 0.34 0.40 0.74 0.02 0.00 0.00 177.57 179.20 1s9r h THR 239 N 0.43 1.26 -0.17 2.57 2.02 -1.00 -0.41 112.91 117.60 1s9r h THR 239 Ca 0.08 -0.73 -0.16 0.00 0.77 0.00 0.00 66.41 66.37 1s9r h THR 239 Cb 0.52 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1s9r h THR 239 CO 0.03 0.31 -0.55 0.25 0.37 0.00 0.00 175.52 175.93 1s9r h LEU 240 N 1.19 0.57 -0.61 2.58 5.85 -0.87 -2.36 115.31 121.65 1s9r h LEU 240 Ca 0.29 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1s9r h LEU 240 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1s9r h LEU 240 CO -0.04 1.01 0.35 0.25 -0.34 0.00 0.00 178.44 179.68 1s9r h LEU 241 N 0.39 0.74 -0.70 2.25 5.85 -0.78 -1.21 115.31 121.86 1s9r h LEU 241 Ca 0.01 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1s9r h LEU 241 Cb 1.09 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1s9r h LEU 241 CO 0.10 0.60 0.46 0.00 -0.34 0.00 0.00 178.44 179.26 1s9r h ALA 242 N 1.17 0.90 -0.23 1.25 0.00 -0.90 -0.81 119.26 120.64 1s9r h ALA 242 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s9r h ALA 242 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1s9r h ALA 242 CO -0.04 0.29 0.14 -0.22 0.00 0.00 0.00 179.25 179.42 1s9r h LYS 243 N 0.93 0.31 -0.83 0.00 3.64 -1.03 -1.72 116.57 117.87 1s9r h LYS 243 Ca 0.26 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1s9r h LYS 243 Cb -0.08 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1s9r h LYS 243 CO -0.07 0.26 0.51 -0.91 -2.27 0.00 0.00 179.45 176.97 1s9r h ASN 244 N 0.28 0.99 -0.46 4.20 2.35 -0.75 -0.41 115.58 121.78 1s9r h ASN 244 Ca 0.08 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1s9r h ASN 244 Cb 0.03 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1s9r h ASN 244 CO -0.02 0.76 -0.24 0.40 -1.65 0.00 0.00 177.43 176.69 1s9r h ILE 245 N 1.14 1.27 -0.17 2.81 2.04 -0.89 -1.91 117.51 121.80 1s9r h ILE 245 Ca 0.30 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 1s9r h ILE 245 Cb -0.06 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1s9r h ILE 245 CO -0.06 0.48 -0.25 0.58 0.00 0.00 0.00 178.15 178.91 1s9r h VAL 246 N 0.81 1.25 0.00 1.67 2.07 -1.02 -1.84 116.25 119.18 1s9r h VAL 246 Ca 0.10 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1s9r h VAL 246 Cb 0.82 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1s9r h VAL 246 CO 0.07 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1s9r h ALA 247 N 1.47 1.00 -2.24 1.67 0.00 -0.74 -3.40 119.26 117.02 1s9r h ALA 247 Ca 0.04 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.27 1s9r h ALA 247 Cb 0.59 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.20 1s9r h ALA 247 CO 0.04 0.00 -0.05 1.21 0.00 0.00 0.00 179.25 180.45 1s9r s ASN 248 N -5.63 6.23 0.58 0.00 3.84 -0.69 -4.93 114.94 114.34 1s9r s ASN 248 Ca 0.03 -0.69 0.36 0.00 0.21 0.00 0.00 52.86 52.76 1s9r s ASN 248 Cb 0.08 -2.27 1.67 0.00 -0.55 0.00 0.00 41.25 40.19 1s9r s ASN 248 CO 0.55 -0.73 2.10 0.11 -2.79 0.00 0.00 177.10 176.35 1s9r h LYS 249 N 8.85 0.00 0.00 0.43 1.79 -1.81 -2.55 116.57 123.28 1s9r h LYS 249 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1s9r h LYS 249 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1s9r h LYS 249 CO 0.87 0.03 -0.62 0.39 -1.08 0.00 0.00 179.45 179.04 1s9r n GLU 250 N -3.17 0.23 -2.72 3.15 4.71 -1.26 -4.83 120.64 116.74 1s9r n GLU 250 Ca -0.01 0.06 -0.43 0.00 -0.01 0.00 0.00 57.16 56.78 1s9r n GLU 250 Cb 0.23 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 29.00 1s9r n GLU 250 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1s9r n GLU 252 N 6.03 2.04 -1.97 0.00 -0.58 -1.26 -4.97 120.64 119.93 1s9r n GLU 252 Ca 0.10 -1.55 -0.37 0.00 -0.42 0.00 0.00 57.16 54.92 1s9r n GLU 252 Cb 0.47 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 29.92 1s9r n GLU 252 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1s9r s PHE 253 N -1.78 2.40 -0.05 -0.32 0.40 -1.26 -4.78 117.98 112.60 1s9r s PHE 253 Ca 0.34 1.48 0.04 0.00 -0.60 0.00 0.00 56.93 58.20 1s9r s PHE 253 Cb 0.20 -3.56 -0.06 0.00 0.51 0.00 0.00 43.02 40.12 1s9r s PHE 253 CO 0.30 -2.33 0.11 1.63 0.70 0.00 0.00 175.22 175.62 1s9r n LYS 254 N -1.34 1.61 -3.76 0.44 5.02 0.13 -4.83 118.16 115.43 1s9r n LYS 254 Ca 0.12 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1s9r n LYS 254 Cb 0.48 -0.98 -0.09 0.00 -0.02 0.00 0.00 35.03 34.42 1s9r n LYS 254 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1s9r s ARG 255 N -2.03 0.59 -0.08 1.97 3.52 -0.34 -1.16 118.95 121.42 1s9r s ARG 255 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 1s9r s ARG 255 Cb 0.03 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 1s9r s ARG 255 CO 0.16 -0.14 -0.17 0.42 -0.81 0.00 0.00 175.30 174.76 1s9r s ILE 256 N -0.90 1.50 -0.20 4.11 1.01 -0.98 -0.89 121.20 124.85 1s9r s ILE 256 Ca -0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1s9r s ILE 256 Cb -0.04 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1s9r s ILE 256 CO 0.03 0.44 -0.01 -0.69 0.00 0.00 0.00 174.94 174.70 1s9r s VAL 257 N 0.55 3.80 -0.15 2.92 1.01 -0.19 -0.59 120.40 127.75 1s9r s VAL 257 Ca -0.16 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1s9r s VAL 257 Cb -0.17 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1s9r s VAL 257 CO 0.06 0.43 0.26 0.00 0.00 0.00 0.00 175.10 175.84 1s9r s ALA 258 N 1.06 3.65 -0.19 5.51 0.00 0.47 -0.80 121.76 131.45 1s9r s ALA 258 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1s9r s ALA 258 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1s9r s ALA 258 CO 0.01 0.19 -0.17 0.42 0.00 0.00 0.00 175.76 176.21 1s9r s ILE 259 N 0.17 2.27 0.17 0.00 1.01 -0.15 -1.62 121.20 123.04 1s9r s ILE 259 Ca 0.15 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 1s9r s ILE 259 Cb -0.13 -2.01 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 1s9r s ILE 259 CO 0.04 0.46 1.16 0.21 0.00 0.00 0.00 174.94 176.81 1s9r s ASN 260 N 1.30 7.15 0.17 3.58 2.47 0.13 -1.09 114.94 128.66 1s9r s ASN 260 Ca 0.04 2.15 0.02 0.00 0.42 0.00 0.00 52.86 55.49 1s9r s ASN 260 Cb -0.14 -2.60 -0.05 0.00 -1.45 0.00 0.00 41.25 37.01 1s9r s ASN 260 CO -0.11 -0.33 -0.01 0.68 -3.72 0.00 0.00 177.10 173.62 1s9r s VAL 261 N 0.01 0.73 0.32 -5.21 -7.23 -0.61 -3.64 120.40 104.78 1s9r s VAL 261 Ca 0.52 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 1s9r s VAL 261 Cb -0.31 -2.11 -0.12 0.00 0.56 0.00 0.00 36.38 34.40 1s9r s VAL 261 CO 0.35 -0.49 1.33 -2.65 -0.31 0.00 0.00 175.10 173.33 1s9r n PRO 262 N -0.25 2.16 -1.39 4.82 -0.02 -1.26 -4.69 135.00 134.37 1s9r n PRO 262 Ca -0.07 0.76 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 1s9r n PRO 262 Cb 0.63 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1s9r n PRO 262 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s9r n LYS 263 N 0.89 2.39 -2.64 -0.52 4.76 -1.26 -4.55 118.16 117.23 1s9r n LYS 263 Ca 0.06 -2.06 -0.41 0.00 -2.87 0.00 0.00 58.31 53.02 1s9r n LYS 263 Cb 0.35 -2.13 -0.04 0.00 -1.84 0.00 0.00 35.03 31.37 1s9r n LYS 263 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1s9r s TRP 264 N -1.02 3.68 0.39 2.13 0.52 -1.26 -4.75 118.94 118.64 1s9r s TRP 264 Ca 0.61 1.67 0.33 0.00 0.02 0.00 0.00 56.10 58.73 1s9r s TRP 264 Cb 0.36 -3.16 1.66 0.00 -1.15 0.00 0.00 33.47 31.18 1s9r s TRP 264 CO -0.17 -0.21 2.12 1.79 0.02 0.00 0.00 176.95 180.51 1s9r h THR 265 N 4.18 0.29 -0.01 2.01 1.35 -1.97 -2.64 112.91 116.11 1s9r h THR 265 Ca -0.43 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1s9r h THR 265 Cb 1.21 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1s9r h THR 265 CO 0.74 0.06 -0.43 -0.46 -0.25 0.00 0.00 175.52 175.18 1s9r n ASN 266 N -3.36 1.83 -3.26 5.36 6.94 -1.26 -4.36 115.26 117.15 1s9r n ASN 266 Ca -0.01 -1.39 -0.25 0.00 -0.02 0.00 0.00 54.58 52.90 1s9r n ASN 266 Cb 0.22 0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 37.96 1s9r n ASN 266 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1s9r n LEU 267 N -0.14 -0.03 -0.06 -4.53 4.77 -1.00 -4.94 117.00 111.06 1s9r n LEU 267 Ca 0.10 -4.59 0.12 0.00 -0.03 0.00 0.00 56.01 51.62 1s9r n LEU 267 Cb 0.44 0.60 0.32 0.00 -2.33 0.00 0.00 43.42 42.45 1s9r n LEU 267 CO 0.28 2.00 0.55 1.15 -1.33 0.00 0.00 177.39 180.03 1s9r n MET 268 N 1.89 0.23 -4.27 3.23 0.00 -1.19 -4.18 117.12 112.83 1s9r n MET 268 Ca 0.24 -0.13 -0.16 0.00 0.00 0.00 0.00 57.70 57.65 1s9r n MET 268 Cb 0.51 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.13 1s9r n MET 268 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1s9r s HIS 269 N -2.86 1.39 0.38 3.17 3.76 -1.26 -2.98 115.29 116.90 1s9r s HIS 269 Ca 0.15 -0.67 0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1s9r s HIS 269 Cb 0.18 -0.69 0.89 0.00 1.11 0.00 0.00 32.58 34.07 1s9r s HIS 269 CO 0.64 0.16 1.91 1.25 -0.85 0.00 0.00 174.74 177.85 1s9r h LEU 270 N 2.88 0.55 0.00 0.89 5.85 -1.87 -1.31 115.31 122.31 1s9r h LEU 270 Ca -0.37 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1s9r h LEU 270 Cb 1.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1s9r h LEU 270 CO 0.61 0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 178.11 1s9r n ASP 271 N -4.51 0.00 -1.06 1.25 5.75 -1.00 -0.91 116.55 116.07 1s9r n ASP 271 Ca 0.15 -0.54 0.12 0.00 -0.01 0.00 0.00 54.79 54.51 1s9r n ASP 271 Cb 0.44 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.71 1s9r n ASP 271 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1s9r n THR 272 N -0.95 0.30 0.00 2.12 -2.24 -0.49 -3.75 114.28 109.27 1s9r n THR 272 Ca 0.10 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1s9r n THR 272 Cb 0.05 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1s9r n THR 272 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1s9r n TRP 273 N 1.40 0.00 -3.65 4.78 7.02 -0.08 -4.63 117.44 122.28 1s9r n TRP 273 Ca 0.17 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.62 1s9r n TRP 273 Cb 0.60 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.43 1s9r n TRP 273 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1s9r s LEU 274 N -2.29 -1.03 0.13 -0.99 2.96 -0.54 -1.54 118.68 115.38 1s9r s LEU 274 Ca 0.00 1.51 0.04 0.00 -0.22 0.00 0.00 54.13 55.46 1s9r s LEU 274 Cb 0.00 2.25 -0.04 0.00 0.50 0.00 0.00 46.19 48.89 1s9r s LEU 274 CO 0.00 -0.23 -0.09 0.42 -1.32 0.00 0.00 176.35 175.13 1s9r s THR 275 N 2.49 1.05 -0.21 3.68 -4.23 -0.07 -4.26 115.64 114.09 1s9r s THR 275 Ca -0.07 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1s9r s THR 275 Cb -0.10 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1s9r s THR 275 CO -0.19 -0.75 -0.01 -0.32 -0.54 0.00 0.00 174.62 172.81 1s9r s MET 276 N -3.67 3.51 0.00 3.99 1.75 -1.26 -1.07 119.30 122.55 1s9r s MET 276 Ca 0.15 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 1s9r s MET 276 Cb 0.03 -3.07 -0.02 0.00 2.84 0.00 0.00 34.83 34.61 1s9r s MET 276 CO -0.01 -0.10 0.12 1.28 -0.65 0.00 0.00 175.02 175.66 1s9r n LEU 277 N 4.55 0.17 0.00 4.11 4.77 -0.39 -4.77 117.00 125.44 1s9r n LEU 277 Ca -0.17 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 1s9r n LEU 277 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1s9r n LEU 277 CO 0.30 0.04 0.24 -0.67 -1.33 0.00 0.00 177.39 175.97 1s9r n ASP 278 N -0.97 -1.54 0.00 -1.43 -0.08 -1.17 -1.38 116.55 109.99 1s9r n ASP 278 Ca 0.00 -2.81 0.12 0.00 -1.51 0.00 0.00 54.79 50.59 1s9r n ASP 278 Cb 0.03 2.78 0.55 0.00 2.34 0.00 0.00 41.12 46.82 1s9r n ASP 278 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1s9r h LYS 279 N 0.00 0.28 0.00 -0.67 1.57 -1.96 -3.14 116.57 112.64 1s9r h LYS 279 Ca -0.28 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1s9r h LYS 279 Cb 1.19 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1s9r h LYS 279 CO 0.38 0.19 -0.36 -0.40 -0.57 0.00 0.00 179.45 178.68 1s9r n ASP 280 N -4.47 0.69 -4.26 0.86 5.75 -1.26 -5.01 116.55 108.85 1s9r n ASP 280 Ca 0.07 -2.32 -0.32 0.00 -0.01 0.00 0.00 54.79 52.21 1s9r n ASP 280 Cb 0.32 -0.27 -0.17 0.00 -1.03 0.00 0.00 41.12 39.98 1s9r n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1s9r s LYS 281 N -0.83 2.75 0.01 0.11 1.02 -1.19 -0.87 119.74 120.74 1s9r s LYS 281 Ca 0.10 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.24 1s9r s LYS 281 Cb 0.08 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1s9r s LYS 281 CO 0.01 0.31 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.56 1s9r s PHE 282 N 0.02 1.17 -0.15 3.18 0.40 0.10 -1.27 117.98 121.43 1s9r s PHE 282 Ca -0.09 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1s9r s PHE 282 Cb -0.15 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 1s9r s PHE 282 CO 0.06 0.00 -0.14 -1.17 0.70 0.00 0.00 175.22 174.67 1s9r s LEU 283 N -0.69 2.58 0.06 -0.37 2.96 -0.23 0.47 118.68 123.45 1s9r s LEU 283 Ca 0.03 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1s9r s LEU 283 Cb -0.06 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1s9r s LEU 283 CO 0.00 0.11 0.05 -0.72 -1.32 0.00 0.00 176.35 174.47 1s9r s TYR 284 N 0.68 0.34 -0.21 5.38 -0.85 -0.49 -0.89 117.35 121.31 1s9r s TYR 284 Ca -0.07 -0.79 -0.13 0.00 -0.52 0.00 0.00 57.07 55.56 1s9r s TYR 284 Cb -0.16 -0.24 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 1s9r s TYR 284 CO 0.02 -0.41 0.26 0.45 -1.52 0.00 0.00 175.55 174.35 1s9r s SER 285 N -2.65 6.28 0.64 -0.18 0.15 -0.59 -1.01 113.70 116.34 1s9r s SER 285 Ca 0.03 0.31 0.37 0.00 0.70 0.00 0.00 55.95 57.36 1s9r s SER 285 Cb 0.04 -2.16 2.09 0.00 -1.71 0.00 0.00 66.02 64.28 1s9r s SER 285 CO -0.09 0.02 2.26 -0.65 1.20 0.00 0.00 173.24 175.99 1s9r h PRO 286 N 7.31 0.00 -0.09 5.44 0.11 -1.91 -1.55 132.00 141.30 1s9r h PRO 286 Ca -0.38 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.76 1s9r h PRO 286 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s9r h PRO 286 CO 0.70 0.00 0.11 0.82 -0.21 0.00 0.00 178.00 179.42 1s9r h ILE 287 N 0.00 0.46 -0.08 4.15 2.04 -1.95 -0.74 117.51 121.39 1s9r h ILE 287 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1s9r h ILE 287 Cb 0.13 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1s9r h ILE 287 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1s9r n ALA 288 N -2.30 2.56 -0.23 1.87 0.00 -0.58 -4.56 120.51 117.26 1s9r n ALA 288 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 53.44 52.98 1s9r n ALA 288 Cb 0.22 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.62 1s9r n ALA 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1s9r h ASN 289 N 2.21 -0.50 -0.15 0.00 2.35 -1.29 0.78 115.58 118.98 1s9r h ASN 289 Ca 0.00 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1s9r h ASN 289 Cb 0.47 0.37 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1s9r h ASN 289 CO 0.00 -0.19 0.00 0.47 -1.65 0.00 0.00 177.43 176.06 1s9r n ASP 290 N -5.40 1.37 -0.04 5.81 8.00 -1.26 -4.05 116.55 120.97 1s9r n ASP 290 Ca 0.10 -1.68 -0.03 0.00 0.71 0.00 0.00 54.79 53.88 1s9r n ASP 290 Cb 0.38 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 1s9r n ASP 290 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1s9r n VAL 291 N 0.13 0.61 -1.62 2.53 0.31 0.18 -5.00 118.33 115.47 1s9r n VAL 291 Ca 0.15 -0.43 -0.44 0.00 -0.01 0.00 0.00 64.34 63.61 1s9r n VAL 291 Cb 0.28 -0.54 -0.02 0.00 -0.91 0.00 0.00 33.84 32.65 1s9r n VAL 291 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1s9r n PHE 292 N -2.31 1.62 -3.63 3.52 0.99 -0.66 -4.63 117.46 112.37 1s9r n PHE 292 Ca -0.15 0.64 -0.15 0.00 -0.00 0.00 0.00 57.45 57.78 1s9r n PHE 292 Cb 0.75 -2.32 -0.07 0.00 -1.00 0.00 0.00 39.48 36.85 1s9r n PHE 292 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1s9r s LYS 293 N -1.40 0.85 0.10 -1.08 2.20 -1.24 -4.95 119.74 114.21 1s9r s LYS 293 Ca 0.60 0.37 0.06 0.00 -0.36 0.00 0.00 55.97 56.64 1s9r s LYS 293 Cb -0.68 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 1s9r s LYS 293 CO 0.59 -0.21 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.15 1s9r s PHE 294 N -0.68 1.38 0.00 4.03 0.40 -1.26 -0.70 117.98 121.15 1s9r s PHE 294 Ca -0.08 -0.49 -0.00 0.00 -0.60 0.00 0.00 56.93 55.76 1s9r s PHE 294 Cb -0.03 -0.75 -0.00 0.00 0.51 0.00 0.00 43.02 42.75 1s9r s PHE 294 CO 0.05 0.11 -0.00 -1.58 0.70 0.00 0.00 175.22 174.51 1s9r s TRP 295 N -1.59 0.05 0.04 0.36 0.51 -0.64 -0.91 118.94 116.76 1s9r s TRP 295 Ca 0.04 -0.10 0.02 0.00 -2.12 0.00 0.00 56.10 53.94 1s9r s TRP 295 Cb -0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 33.47 32.51 1s9r s TRP 295 CO 0.03 -0.04 0.06 -0.51 -0.51 0.00 0.00 176.95 175.99 1s9r s ASP 296 N -0.27 5.49 -0.07 2.95 1.01 0.88 -0.40 116.67 126.26 1s9r s ASP 296 Ca -0.03 0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.30 1s9r s ASP 296 Cb -0.02 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.42 1s9r s ASP 296 CO -0.00 0.22 -0.18 -0.31 0.21 0.00 0.00 175.17 175.11 1s9r s TYR 297 N -1.28 1.94 -0.41 4.23 1.51 0.24 -0.29 117.35 123.30 1s9r s TYR 297 Ca 0.26 -0.71 -0.16 0.00 -1.01 0.00 0.00 57.07 55.45 1s9r s TYR 297 Cb -0.12 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1s9r s TYR 297 CO 0.17 -0.30 0.35 0.34 -1.11 0.00 0.00 175.55 175.01 1s9r s ASP 298 N 0.37 6.14 0.00 2.29 -1.08 -1.26 -2.32 116.67 120.82 1s9r s ASP 298 Ca -0.13 -0.78 0.29 0.00 -0.52 0.00 0.00 52.55 51.40 1s9r s ASP 298 Cb -0.15 -2.18 1.28 0.00 -1.46 0.00 0.00 42.92 40.40 1s9r s ASP 298 CO 0.05 -0.49 1.87 0.18 0.52 0.00 0.00 175.17 177.30 1s9r n LEU 299 N 5.33 0.99 -0.06 -1.34 4.77 -0.31 -3.02 117.00 123.36 1s9r n LEU 299 Ca -0.10 -0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 55.44 1s9r n LEU 299 Cb 0.47 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1s9r n LEU 299 CO 0.43 0.17 -0.89 0.52 -1.33 0.00 0.00 177.39 176.29 1s9r n VAL 300 N -0.27 0.88 -1.45 4.08 0.31 -1.25 -4.80 118.33 115.83 1s9r n VAL 300 Ca 0.20 -0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.48 1s9r n VAL 300 Cb 0.28 -1.74 0.18 0.00 -0.91 0.00 0.00 33.84 31.65 1s9r n VAL 300 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1s9r n ASN 301 N -3.70 1.89 -1.13 4.52 3.02 -1.26 -4.68 115.26 113.92 1s9r n ASN 301 Ca -0.25 -3.56 0.12 0.00 -0.03 0.00 0.00 54.58 50.86 1s9r n ASN 301 Cb 0.63 -0.49 0.22 0.00 -0.61 0.00 0.00 39.78 39.53 1s9r n ASN 301 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9r n GLY 302 N -1.17 1.64 0.32 7.41 0.00 -1.17 -5.04 105.19 107.18 1s9r n GLY 302 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1s9r n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9r n GLY 303 N 1.49 -3.47 0.25 -0.02 0.00 -1.26 -4.00 105.19 98.18 1s9r n GLY 303 Ca 0.19 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.43 1s9r n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9r h ALA 304 N 0.00 1.00 -2.31 4.61 0.00 -1.98 -3.35 119.26 117.24 1s9r h ALA 304 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1s9r h ALA 304 Cb 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1s9r h ALA 304 CO 0.00 0.00 -0.81 0.39 0.00 0.00 0.00 179.25 178.83 1s9r n GLU 305 N -3.09 1.46 -1.66 0.00 1.02 -1.26 -4.61 120.64 112.51 1s9r n GLU 305 Ca 0.02 -3.94 -0.46 0.00 -0.02 0.00 0.00 57.16 52.76 1s9r n GLU 305 Cb 0.40 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1s9r n GLU 305 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1s9r n PRO 306 N 1.53 1.92 -3.99 3.49 -0.02 -1.26 -4.99 135.00 131.68 1s9r n PRO 306 Ca 0.25 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 62.16 1s9r n PRO 306 Cb 0.45 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1s9r n PRO 306 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s9r s GLN 307 N -0.03 3.25 -0.05 -0.52 -1.52 -1.26 -4.82 119.66 114.71 1s9r s GLN 307 Ca 0.72 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 53.14 1s9r s GLN 307 Cb -0.70 -2.85 -0.03 0.00 -0.22 0.00 0.00 33.01 29.21 1s9r s GLN 307 CO 0.47 0.51 1.20 -1.25 -0.25 0.00 0.00 175.29 175.97 1s9r s PRO 308 N -3.16 4.36 -0.20 2.91 0.04 -1.26 -4.57 135.00 133.12 1s9r s PRO 308 Ca 0.33 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1s9r s PRO 308 Cb -0.11 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1s9r s PRO 308 CO 0.27 -0.43 -0.05 0.08 0.04 0.00 0.00 177.00 176.90 1s9r s VAL 309 N 2.13 3.41 0.29 -0.36 1.01 0.61 -4.86 120.40 122.63 1s9r s VAL 309 Ca 0.56 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1s9r s VAL 309 Cb -0.25 -2.53 -0.13 0.00 0.00 0.00 0.00 36.38 33.47 1s9r s VAL 309 CO 0.22 0.45 1.25 -0.62 0.00 0.00 0.00 175.10 176.41 1s9r n GLU 310 N 4.40 1.88 -4.05 2.72 1.02 -1.26 -0.08 120.64 125.26 1s9r n GLU 310 Ca -0.18 0.66 -0.32 0.00 -0.02 0.00 0.00 57.16 57.30 1s9r n GLU 310 Cb 0.51 -2.21 -0.15 0.00 -0.02 0.00 0.00 31.44 29.57 1s9r n GLU 310 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1s9r s ASN 311 N -0.19 4.38 -0.00 1.62 3.84 -0.09 -4.80 114.94 119.71 1s9r s ASN 311 Ca 0.60 -1.40 0.04 0.00 0.21 0.00 0.00 52.86 52.31 1s9r s ASN 311 Cb -0.63 -1.50 0.12 0.00 -0.55 0.00 0.00 41.25 38.69 1s9r s ASN 311 CO 0.58 -0.21 1.07 0.61 -2.79 0.00 0.00 177.10 176.36 1s9r n GLY 312 N 4.46 -0.18 3.77 1.21 0.00 -1.26 -4.14 105.19 109.05 1s9r n GLY 312 Ca -0.13 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1s9r n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9r s LEU 313 N -0.96 3.44 0.84 0.99 1.43 -1.26 -5.02 118.68 118.15 1s9r s LEU 313 Ca 0.09 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 1s9r s LEU 313 Cb 0.05 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.81 1s9r s LEU 313 CO 0.06 -1.56 1.09 -2.84 0.23 0.00 0.00 176.35 173.33 1s9r s PRO 314 N -3.98 1.74 0.23 1.29 0.02 -1.26 -4.67 135.00 128.37 1s9r s PRO 314 Ca 0.68 0.87 -0.08 0.00 0.02 0.00 0.00 61.00 62.48 1s9r s PRO 314 Cb -0.21 -1.86 0.38 0.00 0.02 0.00 0.00 34.50 32.83 1s9r s PRO 314 CO 0.39 -1.92 1.67 1.25 -0.33 0.00 0.00 177.00 178.07 1s9r h LEU 315 N -1.32 -0.13 -0.51 -5.54 5.85 -1.96 -0.15 115.31 111.54 1s9r h LEU 315 Ca -0.47 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1s9r h LEU 315 Cb 1.26 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 1s9r h LEU 315 CO 0.55 -0.08 0.28 -0.08 -0.34 0.00 0.00 178.44 178.78 1s9r h GLU 316 N 0.19 0.54 -0.20 1.25 4.81 -1.99 0.41 114.58 119.60 1s9r h GLU 316 Ca 0.37 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 1s9r h GLU 316 Cb 0.62 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1s9r h GLU 316 CO -0.52 0.36 -0.31 0.78 -0.73 0.00 0.00 179.01 178.58 1s9r h GLY 317 N 0.56 0.43 0.82 1.92 0.00 -1.69 0.01 103.07 105.12 1s9r h GLY 317 Ca 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1s9r h GLY 317 CO -0.13 0.34 0.00 -2.00 0.00 0.00 0.00 176.54 174.76 1s9r h LEU 318 N 0.35 0.36 -0.71 3.11 5.85 -0.29 -1.72 115.31 122.25 1s9r h LEU 318 Ca 0.04 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1s9r h LEU 318 Cb 0.73 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1s9r h LEU 318 CO 0.06 0.58 0.36 -0.07 -0.34 0.00 0.00 178.44 179.02 1s9r h LEU 319 N 0.13 0.92 -1.69 2.25 3.38 -0.76 -2.19 115.31 117.36 1s9r h LEU 319 Ca 0.06 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1s9r h LEU 319 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1s9r h LEU 319 CO 0.01 0.78 0.24 -0.61 0.09 0.00 0.00 178.44 178.96 1s9r h GLN 320 N 0.99 0.41 0.00 1.13 4.15 -0.80 -0.90 115.11 120.08 1s9r h GLN 320 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1s9r h GLN 320 Cb 0.10 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1s9r h GLN 320 CO -0.03 0.27 0.00 0.66 -1.93 0.00 0.00 178.83 177.80 1s9r h SER 321 N 0.42 0.00 0.07 -0.69 4.64 -0.65 0.20 113.55 117.54 1s9r h SER 321 Ca 0.14 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.13 1s9r h SER 321 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1s9r h SER 321 CO -0.03 0.00 -1.86 -0.38 -0.87 0.00 0.00 176.83 173.68 1s9r n ILE 322 N -2.72 1.67 0.60 0.95 5.41 -0.39 -4.59 119.36 120.29 1s9r n ILE 322 Ca 0.01 -0.45 0.11 0.00 1.00 0.00 0.00 62.75 63.42 1s9r n ILE 322 Cb 0.25 -1.81 -0.12 0.00 -0.71 0.00 0.00 39.64 37.26 1s9r n ILE 322 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1s9r n ILE 323 N -3.79 0.02 -2.73 1.39 -5.35 -0.91 -4.98 119.36 103.00 1s9r n ILE 323 Ca -0.35 -0.20 -0.21 0.00 -0.27 0.00 0.00 62.75 61.72 1s9r n ILE 323 Cb 0.93 0.55 0.02 0.00 -1.74 0.00 0.00 39.64 39.40 1s9r n ILE 323 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1s9r n ASN 324 N -1.81 -5.97 -4.03 7.28 3.02 0.70 -4.98 115.26 109.46 1s9r n ASN 324 Ca 0.01 -0.17 -0.08 0.00 -0.03 0.00 0.00 54.58 54.32 1s9r n ASN 324 Cb 0.42 -4.87 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 1s9r n ASN 324 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s9r s LYS 325 N -5.39 0.54 -0.04 3.52 -0.14 -1.26 -5.10 119.74 111.88 1s9r s LYS 325 Ca 0.17 -1.00 -0.30 0.00 -1.36 0.00 0.00 55.97 53.48 1s9r s LYS 325 Cb -0.07 0.19 -0.06 0.00 -1.68 0.00 0.00 37.83 36.21 1s9r s LYS 325 CO 0.21 -0.11 1.62 0.21 -0.76 0.00 0.00 175.35 176.52 1s9r s LYS 326 N -3.15 4.19 0.47 1.68 2.20 -1.26 -4.58 119.74 119.29 1s9r s LYS 326 Ca -0.00 2.18 -0.17 0.00 -0.36 0.00 0.00 55.97 57.62 1s9r s LYS 326 Cb 0.02 -3.90 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 1s9r s LYS 326 CO -0.07 -0.81 0.94 -2.14 -0.36 0.00 0.00 175.35 172.91 1s9r s PRO 327 N 3.71 4.00 -0.21 4.03 0.02 -1.26 -4.95 135.00 140.34 1s9r s PRO 327 Ca 0.72 0.93 -0.04 0.00 0.02 0.00 0.00 61.00 62.63 1s9r s PRO 327 Cb -0.34 -2.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.98 1s9r s PRO 327 CO 0.29 -0.17 -0.03 0.08 -0.33 0.00 0.00 177.00 176.85 1s9r s VAL 328 N -2.46 3.59 -0.25 3.83 1.01 -0.05 -5.04 120.40 121.04 1s9r s VAL 328 Ca 0.59 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1s9r s VAL 328 Cb -0.10 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1s9r s VAL 328 CO 0.26 0.42 0.04 -0.76 0.00 0.00 0.00 175.10 175.06 1s9r s LEU 329 N 1.29 3.36 -0.24 3.92 1.43 -1.26 -0.73 118.68 126.46 1s9r s LEU 329 Ca 0.04 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1s9r s LEU 329 Cb -0.14 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1s9r s LEU 329 CO -0.01 -0.06 0.07 -0.63 0.23 0.00 0.00 176.35 175.96 1s9r s ILE 330 N 1.55 4.46 0.27 -0.59 1.01 0.18 -4.98 121.20 123.09 1s9r s ILE 330 Ca 0.05 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 1s9r s ILE 330 Cb -0.15 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.16 1s9r s ILE 330 CO 0.01 0.36 0.80 -2.16 0.00 0.00 0.00 174.94 173.95 1s9r s PRO 331 N 1.38 4.34 0.24 2.79 0.04 -1.26 -1.39 135.00 141.13 1s9r s PRO 331 Ca 0.05 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 1s9r s PRO 331 Cb -0.15 -2.79 -0.14 0.00 0.04 0.00 0.00 34.50 31.46 1s9r s PRO 331 CO 0.04 0.32 1.27 -0.89 0.04 0.00 0.00 177.00 177.78 1s9r n ILE 332 N 0.54 1.20 -0.85 0.56 2.08 -0.18 -1.24 119.36 121.47 1s9r n ILE 332 Ca -0.00 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1s9r n ILE 332 Cb 0.51 -1.24 0.00 0.00 -0.75 0.00 0.00 39.64 38.16 1s9r n ILE 332 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1s9r n ALA 333 N 1.38 0.00 -0.18 -1.39 0.00 -1.26 -4.74 120.51 114.32 1s9r n ALA 333 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1s9r n ALA 333 Cb 0.30 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 1s9r n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9r n GLY 334 N -1.50 -2.05 3.76 0.00 0.00 -0.37 -4.41 105.19 100.62 1s9r n GLY 334 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1s9r n GLY 334 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9r s GLU 335 N -2.19 4.21 0.00 1.61 0.41 -1.26 -2.56 118.70 118.91 1s9r s GLU 335 Ca 0.00 2.42 0.00 0.00 -0.41 0.00 0.00 54.97 56.98 1s9r s GLU 335 Cb 0.00 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1s9r s GLU 335 CO 0.00 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 1s9r n GLY 336 N 1.37 1.38 3.75 -1.39 0.00 -1.26 -5.03 105.19 104.01 1s9r n GLY 336 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1s9r n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9r s ALA 337 N -2.89 2.47 0.69 4.61 0.00 -1.06 -5.01 121.76 120.57 1s9r s ALA 337 Ca 0.00 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1s9r s ALA 337 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1s9r s ALA 337 CO 0.00 -1.31 1.07 -1.54 0.00 0.00 0.00 175.76 173.98 1s9r s SER 338 N -1.67 5.51 0.29 0.00 1.04 -1.26 -4.87 113.70 112.74 1s9r s SER 338 Ca 0.77 1.36 -0.03 0.00 0.48 0.00 0.00 55.95 58.53 1s9r s SER 338 Cb -0.31 -2.25 0.40 0.00 0.10 0.00 0.00 66.02 63.96 1s9r s SER 338 CO 0.36 -1.33 1.96 -0.61 0.98 0.00 0.00 173.24 174.60 1s9r h GLN 339 N -0.64 1.15 -0.82 4.02 5.75 -1.99 -0.93 115.11 121.65 1s9r h GLN 339 Ca -0.45 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1s9r h GLN 339 Cb 1.23 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 29.48 1s9r h GLN 339 CO 0.61 0.76 0.53 0.52 -2.65 0.00 0.00 178.83 178.60 1s9r h MET 340 N 1.18 1.09 -0.44 1.69 2.86 -1.99 0.19 114.93 119.50 1s9r h MET 340 Ca 0.32 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1s9r h MET 340 Cb -0.13 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.27 1s9r h MET 340 CO -0.07 0.73 -0.01 0.93 1.06 0.00 0.00 176.91 179.55 1s9r h GLU 341 N 1.11 0.78 -0.45 1.72 5.08 -1.79 -0.05 114.58 121.00 1s9r h GLU 341 Ca 0.30 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1s9r h GLU 341 Cb -0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1s9r h GLU 341 CO -0.06 0.86 0.12 0.82 -1.00 0.00 0.00 179.01 179.74 1s9r h ILE 342 N 0.62 1.23 -0.77 3.13 2.04 -0.77 -1.32 117.51 121.68 1s9r h ILE 342 Ca 0.12 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1s9r h ILE 342 Cb 0.51 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1s9r h ILE 342 CO 0.03 0.28 0.39 -0.33 0.00 0.00 0.00 178.15 178.52 1s9r h GLU 343 N 0.59 1.09 -0.15 2.37 5.08 -0.46 0.63 114.58 123.73 1s9r h GLU 343 Ca 0.14 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1s9r h GLU 343 Cb 0.31 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1s9r h GLU 343 CO 0.00 0.83 -0.08 0.00 -1.00 0.00 0.00 179.01 178.76 1s9r h ARG 344 N 1.07 0.31 -0.00 2.33 3.08 -0.84 -0.86 114.38 119.48 1s9r h ARG 344 Ca 0.27 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 60.01 1s9r h ARG 344 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1s9r h ARG 344 CO -0.04 0.64 -0.79 0.93 -1.07 0.00 0.00 179.97 179.64 1s9r h GLU 345 N -0.02 0.02 -0.47 0.04 5.08 -1.24 -2.36 114.58 115.63 1s9r h GLU 345 Ca 0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1s9r h GLU 345 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1s9r h GLU 345 CO 0.02 0.80 0.09 1.15 -1.00 0.00 0.00 179.01 180.08 1s9r h THR 346 N 0.01 1.24 -0.83 1.13 2.02 -0.86 -0.09 112.91 115.53 1s9r h THR 346 Ca -0.01 -0.88 0.12 0.00 0.77 0.00 0.00 66.41 66.41 1s9r h THR 346 Cb 1.40 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 68.64 1s9r h THR 346 CO 0.10 0.31 0.46 -0.74 0.37 0.00 0.00 175.52 176.02 1s9r h HIS 347 N 0.64 0.81 -0.37 3.16 -0.00 -0.88 -0.98 115.15 117.53 1s9r h HIS 347 Ca 0.14 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.31 1s9r h HIS 347 Cb 0.36 -0.24 -0.11 0.00 -0.00 0.00 0.00 27.41 27.42 1s9r h HIS 347 CO 0.02 0.28 0.30 1.19 -0.00 0.00 0.00 177.93 179.72 1s9r n PHE 348 N -4.80 1.18 -3.80 5.26 3.01 -0.91 -4.84 117.46 112.57 1s9r n PHE 348 Ca 0.15 -1.51 -0.25 0.00 1.01 0.00 0.00 57.45 56.85 1s9r n PHE 348 Cb 0.34 -0.74 0.03 0.00 -0.01 0.00 0.00 39.48 39.10 1s9r n PHE 348 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s9r n ASP 349 N 0.37 -2.98 0.24 4.37 9.92 -0.37 -4.85 116.55 123.25 1s9r n ASP 349 Ca 0.23 -0.79 0.17 0.00 -0.53 0.00 0.00 54.79 53.86 1s9r n ASP 349 Cb 0.68 -4.01 0.83 0.00 -0.64 0.00 0.00 41.12 37.98 1s9r n ASP 349 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1s9r h GLY 350 N -2.00 0.00 0.67 0.44 0.00 -1.10 -0.22 103.07 100.86 1s9r h GLY 350 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1s9r h GLY 350 CO 0.61 0.00 -0.48 -1.30 0.00 0.00 0.00 176.54 175.37 1s9r n THR 351 N -2.70 0.00 -1.55 4.70 -2.24 -1.26 -4.67 114.28 106.55 1s9r n THR 351 Ca -0.01 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1s9r n THR 351 Cb 0.12 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1s9r n THR 351 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1s9r n ASN 352 N -1.25 6.68 -4.83 3.42 2.85 -0.10 -4.54 115.26 117.49 1s9r n ASN 352 Ca 0.07 -3.17 -0.34 0.00 -0.11 0.00 0.00 54.58 51.03 1s9r n ASN 352 Cb 0.34 -1.26 -0.06 0.00 1.24 0.00 0.00 39.78 40.04 1s9r n ASN 352 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1s9r s TYR 353 N -1.54 3.43 -0.24 1.20 1.51 -1.26 -1.98 117.35 118.47 1s9r s TYR 353 Ca 0.58 1.36 -0.13 0.00 -1.01 0.00 0.00 57.07 57.87 1s9r s TYR 353 Cb 0.35 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1s9r s TYR 353 CO -0.20 0.11 0.29 -1.17 -1.11 0.00 0.00 175.55 173.47 1s9r s LEU 354 N -2.76 4.10 -0.07 -1.29 2.96 -0.79 -4.45 118.68 116.38 1s9r s LEU 354 Ca 0.53 0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 54.47 1s9r s LEU 354 Cb -0.12 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1s9r s LEU 354 CO 0.18 -0.05 0.72 0.00 -1.32 0.00 0.00 176.35 175.88 1s9r s ALA 355 N 1.45 3.34 -0.80 5.97 0.00 -1.26 -1.05 121.76 129.41 1s9r s ALA 355 Ca 0.13 0.15 0.18 0.00 0.00 0.00 0.00 51.96 52.41 1s9r s ALA 355 Cb -0.15 -2.99 -0.20 0.00 0.00 0.00 0.00 23.12 19.78 1s9r s ALA 355 CO 0.08 -0.14 0.74 0.44 0.00 0.00 0.00 175.76 176.87 1s9r n ILE 356 N 3.84 0.00 -3.60 0.00 -5.35 0.31 -4.75 119.36 109.81 1s9r n ILE 356 Ca -0.01 -0.10 -0.08 0.00 -0.27 0.00 0.00 62.75 62.29 1s9r n ILE 356 Cb 0.51 0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 39.34 1s9r n ILE 356 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1s9r s ARG 357 N -2.73 1.24 0.11 6.28 0.52 -1.22 -0.69 118.95 122.47 1s9r s ARG 357 Ca 0.06 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.39 1s9r s ARG 357 Cb 0.13 0.50 -0.11 0.00 0.52 0.00 0.00 34.95 36.00 1s9r s ARG 357 CO 0.74 -0.56 1.85 -2.30 0.02 0.00 0.00 175.30 175.05 1s9r n PRO 358 N -0.38 2.78 -1.01 3.54 -0.02 -0.65 -1.87 135.00 137.39 1s9r n PRO 358 Ca -0.10 1.01 -0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1s9r n PRO 358 Cb 0.62 -2.91 -0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1s9r n PRO 358 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9r n GLY 359 N 4.25 0.44 2.94 -1.23 0.00 -0.48 -4.97 105.19 106.13 1s9r n GLY 359 Ca 0.18 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1s9r n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9r s VAL 360 N -1.85 1.11 0.17 1.61 1.01 -0.78 -0.34 120.40 121.33 1s9r s VAL 360 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1s9r s VAL 360 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1s9r s VAL 360 CO 0.00 0.38 -0.09 0.68 0.00 0.00 0.00 175.10 176.07 1s9r s VAL 361 N 1.54 1.21 -0.01 2.92 -7.23 -0.00 -0.53 120.40 118.29 1s9r s VAL 361 Ca 0.02 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1s9r s VAL 361 Cb -0.13 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1s9r s VAL 361 CO -0.07 -0.65 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.24 1s9r s ILE 362 N -3.30 1.58 0.01 -0.62 1.01 -0.22 -0.71 121.20 118.95 1s9r s ILE 362 Ca 0.20 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1s9r s ILE 362 Cb 0.03 -1.32 0.11 0.00 0.01 0.00 0.00 42.46 41.29 1s9r s ILE 362 CO 0.03 0.42 1.22 -0.83 0.00 0.00 0.00 174.94 175.78 1s9r s GLY 363 N -0.53 -0.38 0.42 6.18 0.00 -1.22 -1.88 107.32 109.92 1s9r s GLY 363 Ca 0.08 0.64 -0.26 0.00 0.00 0.00 0.00 44.72 45.18 1s9r s GLY 363 CO -0.01 0.12 1.34 -1.72 0.00 0.00 0.00 173.10 172.83 1s9r n TYR 364 N -0.47 2.37 0.26 1.90 0.53 -1.26 -2.59 117.16 117.90 1s9r n TYR 364 Ca -0.08 0.48 0.14 0.00 -1.02 0.00 0.00 57.90 57.42 1s9r n TYR 364 Cb 0.62 -2.41 0.70 0.00 -1.03 0.00 0.00 39.34 37.22 1s9r n TYR 364 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1s9r h SER 365 N 2.22 0.00 -0.07 7.72 4.64 -1.21 -3.31 113.55 123.53 1s9r h SER 365 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1s9r h SER 365 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1s9r h SER 365 CO 0.61 0.11 -0.03 0.08 -0.87 0.00 0.00 176.83 176.73 1s9r h ARG 366 N 0.00 0.27 -3.82 4.77 0.11 -1.91 -3.26 114.38 110.54 1s9r h ARG 366 Ca -0.00 -0.04 -0.72 0.00 0.10 0.00 0.00 59.98 59.32 1s9r h ARG 366 Cb 0.44 -0.05 -0.06 0.00 1.11 0.00 0.00 29.97 31.41 1s9r h ARG 366 CO 0.01 0.32 2.96 0.09 0.10 0.00 0.00 179.97 183.46 1s9r n ASN 367 N -4.35 4.46 -0.13 0.08 3.02 -1.25 -4.76 115.26 112.33 1s9r n ASN 367 Ca -0.00 -2.88 -0.00 0.00 -0.03 0.00 0.00 54.58 51.67 1s9r n ASN 367 Cb 0.20 -1.61 0.26 0.00 -0.61 0.00 0.00 39.78 38.02 1s9r n ASN 367 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1s9r h GLU 368 N 5.87 0.81 -0.16 3.52 4.11 -1.88 -0.86 114.58 125.98 1s9r h GLU 368 Ca 0.56 -0.10 -0.14 0.00 0.07 0.00 0.00 59.36 59.75 1s9r h GLU 368 Cb 0.61 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1s9r h GLU 368 CO 1.83 0.62 -0.51 0.87 0.07 0.00 0.00 179.01 181.89 1s9r h LYS 369 N 0.81 0.43 -0.11 1.06 1.57 -1.89 -1.64 116.57 116.81 1s9r h LYS 369 Ca 0.20 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1s9r h LYS 369 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1s9r h LYS 369 CO -0.03 0.84 -0.65 1.15 -0.57 0.00 0.00 179.45 180.19 1s9r h THR 370 N 0.34 1.36 -0.79 -0.16 2.02 -1.71 -1.63 112.91 112.34 1s9r h THR 370 Ca 0.01 -1.99 -0.03 0.00 0.77 0.00 0.00 66.41 65.17 1s9r h THR 370 Cb 1.01 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.36 1s9r h THR 370 CO 0.09 0.61 0.40 0.78 0.37 0.00 0.00 175.52 177.76 1s9r h ASN 371 N 0.32 1.03 0.09 4.18 2.35 -0.98 -0.09 115.58 122.47 1s9r h ASN 371 Ca -0.02 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1s9r h ASN 371 Cb 1.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1s9r h ASN 371 CO 0.11 0.86 -0.35 0.00 -1.65 0.00 0.00 177.43 176.40 1s9r h ALA 372 N 1.21 1.07 -0.35 -0.83 0.00 -1.15 -1.66 119.26 117.55 1s9r h ALA 372 Ca 0.27 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1s9r h ALA 372 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s9r h ALA 372 CO -0.04 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.42 1s9r h ALA 373 N 1.32 0.68 -0.19 0.00 0.00 -0.70 -0.67 119.26 119.69 1s9r h ALA 373 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1s9r h ALA 373 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1s9r h ALA 373 CO 0.06 0.67 0.02 -0.07 0.00 0.00 0.00 179.25 179.93 1s9r h LEU 374 N 0.68 0.32 -1.23 0.00 3.38 -0.82 -2.08 115.31 115.56 1s9r h LEU 374 Ca 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1s9r h LEU 374 Cb 0.94 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1s9r h LEU 374 CO 0.09 0.52 0.36 -0.33 0.09 0.00 0.00 178.44 179.17 1s9r h GLU 375 N 0.11 0.89 0.00 1.13 4.39 -1.13 -0.79 114.58 119.18 1s9r h GLU 375 Ca 0.06 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1s9r h GLU 375 Cb 0.34 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1s9r h GLU 375 CO 0.01 0.65 -0.28 0.00 -1.16 0.00 0.00 179.01 178.23 1s9r h ALA 376 N 1.50 1.28 -0.05 3.43 0.00 -0.95 -1.13 119.26 123.34 1s9r h ALA 376 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s9r h ALA 376 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s9r h ALA 376 CO -0.04 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1s9r n ALA 377 N -2.37 2.60 -0.68 0.00 0.00 -0.70 -4.91 120.51 114.44 1s9r n ALA 377 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1s9r n ALA 377 Cb 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1s9r n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9r n GLY 378 N 1.03 0.60 3.70 0.00 0.00 -0.43 -5.05 105.19 105.04 1s9r n GLY 378 Ca 0.18 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1s9r n GLY 378 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9r s ILE 379 N -2.00 5.12 -0.04 -0.61 1.01 -0.38 -4.98 121.20 119.31 1s9r s ILE 379 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 1s9r s ILE 379 Cb 0.00 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1s9r s ILE 379 CO 0.00 0.46 0.96 -0.75 0.00 0.00 0.00 174.94 175.61 1s9r s LYS 380 N 0.25 4.50 -0.18 2.79 2.20 0.54 -3.35 119.74 126.49 1s9r s LYS 380 Ca 0.06 1.34 -0.04 0.00 -0.36 0.00 0.00 55.97 56.98 1s9r s LYS 380 Cb -0.12 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1s9r s LYS 380 CO -0.01 -0.13 -0.03 0.08 -0.36 0.00 0.00 175.35 174.91 1s9r s VAL 381 N 1.33 3.86 -0.74 4.02 1.01 -1.26 -0.82 120.40 127.80 1s9r s VAL 381 Ca 0.49 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1s9r s VAL 381 Cb -0.20 -2.71 0.19 0.00 0.00 0.00 0.00 36.38 33.66 1s9r s VAL 381 CO 0.23 0.46 0.61 -0.76 0.00 0.00 0.00 175.10 175.65 1s9r s LEU 382 N 0.67 5.91 0.66 3.92 1.43 0.11 -4.97 118.68 126.41 1s9r s LEU 382 Ca -0.02 -2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 50.12 1s9r s LEU 382 Cb -0.14 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1s9r s LEU 382 CO 0.02 -0.44 1.05 -2.16 0.23 0.00 0.00 176.35 175.05 1s9r s PRO 383 N -0.08 3.25 0.03 1.29 0.04 -1.26 -3.38 135.00 134.88 1s9r s PRO 383 Ca 0.18 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 61.95 1s9r s PRO 383 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1s9r s PRO 383 CO -0.06 -0.84 0.18 -0.59 0.04 0.00 0.00 177.00 175.73 1s9r s PHE 384 N -3.13 0.05 -0.15 0.56 -0.12 -1.07 -4.87 117.98 109.24 1s9r s PHE 384 Ca 0.57 -0.23 -0.29 0.00 -0.05 0.00 0.00 56.93 56.92 1s9r s PHE 384 Cb -0.12 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.22 1s9r s PHE 384 CO 0.54 -0.39 1.09 -1.01 -0.05 0.00 0.00 175.22 175.40 1s9r s HIS 385 N -2.25 3.28 -0.12 3.49 3.76 -1.26 -0.63 115.29 121.56 1s9r s HIS 385 Ca -0.08 1.39 0.23 0.00 -0.15 0.00 0.00 55.06 56.45 1s9r s HIS 385 Cb -0.03 -3.31 0.44 0.00 1.11 0.00 0.00 32.58 30.79 1s9r s HIS 385 CO -0.02 -0.74 1.15 0.41 -0.85 0.00 0.00 174.74 174.69 1s9r n GLY 386 N 3.31 1.34 0.32 -2.22 0.00 -1.26 -4.62 105.19 102.06 1s9r n GLY 386 Ca 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 1s9r n GLY 386 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s9r h ASN 387 N 1.60 0.96 -0.06 1.61 2.35 -1.97 -0.24 115.58 119.84 1s9r h ASN 387 Ca -0.22 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1s9r h ASN 387 Cb 1.59 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.72 1s9r h ASN 387 CO 0.10 0.69 -0.02 1.56 -1.65 0.00 0.00 177.43 178.11 1s9r h GLN 388 N 1.13 0.11 -0.84 0.81 1.08 -1.92 -2.98 115.11 112.50 1s9r h GLN 388 Ca 0.31 -0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.60 1s9r h GLN 388 Cb -0.12 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.24 1s9r h GLN 388 CO -0.07 0.48 0.55 -0.07 -0.95 0.00 0.00 178.83 178.76 1s9r h LEU 389 N -0.26 0.58 -2.38 1.46 3.38 -1.79 -1.49 115.31 114.82 1s9r h LEU 389 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s9r h LEU 389 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1s9r h LEU 389 CO 0.01 0.30 -0.03 0.77 0.09 0.00 0.00 178.44 179.58 1s9r h SER 390 N 0.62 0.00 0.68 -0.43 4.64 -0.89 -1.73 113.55 116.45 1s9r h SER 390 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1s9r h SER 390 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1s9r h SER 390 CO -0.17 0.03 0.00 -0.07 -0.87 0.00 0.00 176.83 175.75 1s9r h LEU 391 N 0.00 0.00 -0.18 5.97 3.38 -1.27 -0.96 115.31 122.24 1s9r h LEU 391 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s9r h LEU 391 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1s9r h LEU 391 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1s9r n GLY 392 N -0.15 -0.80 2.74 0.83 0.00 -0.65 -1.54 105.19 105.62 1s9r n GLY 392 Ca 0.01 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1s9r n GLY 392 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s9r n MET 393 N -0.66 -4.78 -3.77 1.61 2.81 -0.36 -4.82 117.12 107.14 1s9r n MET 393 Ca 0.17 0.51 -0.10 0.00 -1.81 0.00 0.00 57.70 56.47 1s9r n MET 393 Cb 0.12 -4.57 -0.06 0.00 -0.71 0.00 0.00 33.22 28.01 1s9r n MET 393 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s9r s GLY 394 N -3.27 -0.02 0.00 3.03 0.00 -1.26 -4.94 107.32 100.85 1s9r s GLY 394 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1s9r s GLY 394 CO 0.45 -0.59 0.00 -2.01 0.00 0.00 0.00 173.10 170.95 1s9r n ASN 395 N -0.15 1.65 -0.25 1.64 2.85 -1.26 -4.39 115.26 115.34 1s9r n ASN 395 Ca -0.14 -0.28 0.07 0.00 -0.11 0.00 0.00 54.58 54.11 1s9r n ASN 395 Cb 0.63 0.00 0.31 0.00 1.24 0.00 0.00 39.78 41.96 1s9r n ASN 395 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s9r h ALA 396 N 0.72 1.64 -0.57 5.20 0.00 -1.81 -1.88 119.26 122.56 1s9r h ALA 396 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1s9r h ALA 396 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1s9r h ALA 396 CO 0.00 0.20 0.21 -0.09 0.00 0.00 0.00 179.25 179.58 1s9r h ARG 397 N 0.86 0.86 -0.17 0.00 2.43 -1.61 -2.40 114.38 114.35 1s9r h ARG 397 Ca 0.38 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1s9r h ARG 397 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1s9r h ARG 397 CO -0.15 0.76 0.08 0.00 -1.51 0.00 0.00 179.97 179.15 1s9r n MET 399 N -4.47 1.95 -3.86 0.00 2.81 -0.81 -1.74 117.12 111.00 1s9r n MET 399 Ca -0.00 -1.04 -0.11 0.00 -1.81 0.00 0.00 57.70 54.74 1s9r n MET 399 Cb 0.11 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.08 1s9r n MET 399 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1s9r s SER 400 N -0.70 0.03 -0.23 7.83 1.04 -0.95 -4.48 113.70 116.25 1s9r s SER 400 Ca 0.19 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.29 1s9r s SER 400 Cb 0.12 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.56 1s9r s SER 400 CO 0.09 -0.47 0.09 -0.32 0.98 0.00 0.00 173.24 173.62 1s9r s MET 401 N -2.00 0.32 0.41 4.02 1.75 -0.62 -3.13 119.30 120.05 1s9r s MET 401 Ca -0.10 -0.42 -0.27 0.00 -1.25 0.00 0.00 55.69 53.65 1s9r s MET 401 Cb -0.04 -1.72 -0.10 0.00 2.84 0.00 0.00 34.83 35.81 1s9r s MET 401 CO -0.01 -0.81 1.46 -2.30 -0.65 0.00 0.00 175.02 172.71 1s9r n PRO 402 N 5.16 2.49 -0.07 4.11 -0.02 -1.26 -0.71 135.00 144.70 1s9r n PRO 402 Ca -0.07 0.88 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 1s9r n PRO 402 Cb 0.46 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.19 1s9r n PRO 402 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s9r n LEU 403 N 0.18 0.77 -3.70 2.45 4.77 0.75 -4.51 117.00 117.71 1s9r n LEU 403 Ca 0.03 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1s9r n LEU 403 Cb 0.40 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1s9r n LEU 403 CO 0.62 0.43 0.17 -0.94 -1.33 0.00 0.00 177.39 176.34 1s9r s SER 404 N -4.80 -0.53 0.03 -1.43 1.04 -0.99 -1.13 113.70 105.88 1s9r s SER 404 Ca -0.10 1.01 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1s9r s SER 404 Cb 0.04 1.01 -0.02 0.00 0.10 0.00 0.00 66.02 67.15 1s9r s SER 404 CO 0.48 -0.18 -0.10 -0.13 0.98 0.00 0.00 173.24 174.29 1s9r s ARG 405 N 0.42 0.70 0.65 4.02 0.52 0.21 -0.82 118.95 124.66 1s9r s ARG 405 Ca -0.01 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.41 1s9r s ARG 405 Cb -0.04 -0.63 -0.00 0.00 0.52 0.00 0.00 34.95 34.80 1s9r s ARG 405 CO -0.01 0.15 1.10 0.15 0.02 0.00 0.00 175.30 176.70 1s9r s LYS 406 N -1.07 2.87 0.47 3.54 1.02 0.39 -4.76 119.74 122.19 1s9r s LYS 406 Ca -0.02 1.32 -0.25 0.00 0.02 0.00 0.00 55.97 57.04 1s9r s LYS 406 Cb -0.07 -1.96 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 1s9r s LYS 406 CO 0.01 -1.18 1.40 -0.25 -0.92 0.00 0.00 175.35 174.40 1s9r n ASP 407 N -2.44 3.09 -4.82 2.83 8.00 -1.26 -4.09 116.55 117.86 1s9r n ASP 407 Ca 0.10 1.09 -0.38 0.00 0.71 0.00 0.00 54.79 56.31 1s9r n ASP 407 Cb 0.52 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.98 1s9r n ASP 407 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s9r s VAL 408 N -1.21 4.85 -0.87 2.53 1.01 -1.26 -4.80 120.40 120.66 1s9r s VAL 408 Ca 0.63 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 1s9r s VAL 408 Cb -0.45 -3.82 0.13 0.00 0.00 0.00 0.00 36.38 32.24 1s9r s VAL 408 CO 0.56 0.56 1.04 -1.59 0.00 0.00 0.00 175.10 175.66 1s9r s LYS 409 N -1.11 3.51 0.00 2.72 -2.85 -1.26 -5.13 119.74 115.62 1s9r s LYS 409 Ca 0.27 -1.73 0.13 0.00 -1.00 0.00 0.00 55.97 53.64 1s9r s LYS 409 Cb -0.18 -4.74 0.76 0.00 -2.06 0.00 0.00 37.83 31.60 1s9r s LYS 409 CO 0.17 -1.70 1.18 0.91 0.10 0.00 0.00 175.35 176.01