#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hri s VAL 48 N 0.00 2.79 -0.17 1.12 -7.23 -1.26 -4.91 120.40 110.75 3hri s VAL 48 Ca 0.00 0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 3hri s VAL 48 Cb 0.00 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 3hri s VAL 48 CO 0.00 -0.34 2.08 -1.83 -0.31 0.00 0.00 175.10 174.71 3hri s GLU 49 N -4.88 3.43 0.43 4.82 4.04 -1.26 -4.82 118.70 120.46 3hri s GLU 49 Ca 0.63 2.10 0.24 0.00 0.04 0.00 0.00 54.97 57.97 3hri s GLU 49 Cb -0.18 -4.29 0.54 0.00 0.02 0.00 0.00 34.13 30.22 3hri s GLU 49 CO 0.57 -1.76 1.67 1.79 -1.84 0.00 0.00 175.26 175.69 3hri h THR 50 N 6.69 0.21 -4.12 1.83 1.35 -2.09 -3.45 112.91 113.34 3hri h THR 50 Ca -0.42 -1.14 -0.46 0.00 -0.55 0.00 0.00 66.41 63.84 3hri h THR 50 Cb 1.23 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3hri h THR 50 CO 0.96 0.11 0.35 -1.61 -0.25 0.00 0.00 175.52 175.09 3hri s GLU 51 N -3.29 4.08 0.55 4.72 2.02 -1.26 -5.06 118.70 120.46 3hri s GLU 51 Ca 0.05 1.02 -0.15 0.00 0.02 0.00 0.00 54.97 55.91 3hri s GLU 51 Cb 0.07 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 3hri s GLU 51 CO 0.66 -0.15 1.01 -1.25 0.02 0.00 0.00 175.26 175.55 3hri s PRO 52 N -3.63 3.74 0.15 0.39 0.04 -1.26 -4.97 135.00 129.46 3hri s PRO 52 Ca 0.60 0.96 -0.32 0.00 0.04 0.00 0.00 61.00 62.28 3hri s PRO 52 Cb -0.09 -2.10 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 3hri s PRO 52 CO 0.22 -0.45 0.82 0.28 0.04 0.00 0.00 177.00 177.91 3hri n VAL 53 N -1.93 1.26 -1.38 -0.36 0.31 -1.26 -4.69 118.33 110.28 3hri n VAL 53 Ca 0.07 -0.32 -0.54 0.00 -0.01 0.00 0.00 64.34 63.54 3hri n VAL 53 Cb 0.54 -0.22 -0.07 0.00 -0.91 0.00 0.00 33.84 33.18 3hri n VAL 53 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hri n GLN 54 N 1.24 0.00 -1.08 5.55 -0.06 -1.26 -1.60 117.38 120.17 3hri n GLN 54 Ca 0.17 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.15 3hri n GLN 54 Cb 0.21 -1.36 -0.01 0.00 -4.06 0.00 0.00 30.24 25.02 3hri n GLN 54 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hri n GLY 55 N 1.42 0.60 3.16 1.69 0.00 -1.26 -4.95 105.19 105.85 3hri n GLY 55 Ca 0.18 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 3hri n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hri s ARG 57 N -0.83 3.85 0.57 0.00 0.52 -1.26 -4.68 118.95 117.12 3hri s ARG 57 Ca 0.05 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 3hri s ARG 57 Cb -0.07 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 3hri s ARG 57 CO 0.01 0.31 1.03 -0.51 0.02 0.00 0.00 175.30 176.15 3hri s ASP 58 N 0.25 6.13 -0.58 0.23 1.01 -1.26 -5.04 116.67 117.41 3hri s ASP 58 Ca 0.02 1.67 0.06 0.00 0.71 0.00 0.00 52.55 55.01 3hri s ASP 58 Cb -0.13 -2.51 0.20 0.00 1.01 0.00 0.00 42.92 41.49 3hri s ASP 58 CO 0.01 -0.93 0.54 0.49 0.21 0.00 0.00 175.17 175.49 3hri n PHE 59 N -2.00 1.96 -1.19 4.23 3.01 -1.26 -4.92 117.46 117.29 3hri n PHE 59 Ca 0.08 -3.95 -0.30 0.00 1.01 0.00 0.00 57.45 54.29 3hri n PHE 59 Cb 0.53 -0.38 0.14 0.00 -0.01 0.00 0.00 39.48 39.76 3hri n PHE 59 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3hri s PRO 60 N -1.40 1.32 0.27 -1.08 0.04 -1.26 -4.29 135.00 128.61 3hri s PRO 60 Ca 0.32 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 3hri s PRO 60 Cb 0.06 -1.81 0.57 0.00 0.04 0.00 0.00 34.50 33.36 3hri s PRO 60 CO -0.12 -2.21 1.61 -1.35 0.04 0.00 0.00 177.00 174.97 3hri h PRO 61 N -1.53 0.08 -0.35 0.56 0.11 -1.99 0.35 132.00 129.24 3hri h PRO 61 Ca -0.49 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3hri h PRO 61 Cb 1.28 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3hri h PRO 61 CO 0.54 0.05 -0.28 1.05 -0.21 0.00 0.00 178.00 179.15 3hri h GLU 62 N 0.08 -0.23 -0.06 1.05 4.11 -1.97 -2.23 114.58 115.33 3hri h GLU 62 Ca 0.49 0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.80 3hri h GLU 62 Cb 0.93 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.24 3hri h GLU 62 CO -0.76 -0.15 -0.51 1.15 0.07 0.00 0.00 179.01 178.80 3hri h THR 63 N -0.24 1.39 0.00 -1.06 2.02 -0.81 -3.15 112.91 111.06 3hri h THR 63 Ca 0.17 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.45 3hri h THR 63 Cb 0.51 2.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3hri h THR 63 CO -0.48 0.56 -0.00 -0.03 0.37 0.00 0.00 175.52 175.93 3hri h MET 64 N 0.01 0.00 -0.14 6.66 -1.53 -0.60 -2.27 114.93 117.06 3hri h MET 64 Ca -0.05 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.14 3hri h MET 64 Cb 1.18 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.23 3hri h MET 64 CO 0.10 0.00 -0.22 -0.09 0.14 0.00 0.00 176.91 176.85 3hri h ARG 65 N 0.00 0.39 -0.56 0.39 2.43 -1.35 -1.98 114.38 113.70 3hri h ARG 65 Ca -0.00 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3hri h ARG 65 Cb 0.02 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3hri h ARG 65 CO 0.00 0.83 0.36 1.25 -1.51 0.00 0.00 179.97 180.89 3hri h LEU 66 N -0.00 0.61 -1.01 3.80 5.85 -1.51 -0.24 115.31 122.80 3hri h LEU 66 Ca 0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hri h LEU 66 Cb 0.79 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3hri h LEU 66 CO 0.05 0.43 0.56 -0.09 -0.34 0.00 0.00 178.44 179.06 3hri h ARG 67 N 0.72 1.24 0.00 1.25 2.43 -1.43 -0.64 114.38 117.95 3hri h ARG 67 Ca 0.21 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3hri h ARG 67 Cb -0.05 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 3hri h ARG 67 CO -0.06 0.86 -0.63 -0.22 -1.51 0.00 0.00 179.97 178.40 3hri h LYS 68 N 1.26 0.00 -0.03 0.20 3.64 -1.05 0.32 116.57 120.90 3hri h LYS 68 Ca 0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3hri h LYS 68 Cb -0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3hri h LYS 68 CO -0.06 0.63 0.01 -0.92 -2.27 0.00 0.00 179.45 176.83 3hri h TYR 69 N 0.00 0.06 -0.16 1.91 3.20 -0.38 -0.62 116.97 120.97 3hri h TYR 69 Ca -0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3hri h TYR 69 Cb 1.14 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 3hri h TYR 69 CO 0.00 0.29 0.04 1.25 -1.64 0.00 0.00 178.16 178.10 3hri h LEU 70 N -0.19 0.25 -1.28 2.82 5.85 -0.96 -3.10 115.31 118.69 3hri h LEU 70 Ca 0.01 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3hri h LEU 70 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3hri h LEU 70 CO 0.00 0.41 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.06 3hri h PHE 71 N 0.07 0.28 -0.54 1.25 -1.00 -0.97 -1.82 116.94 114.20 3hri h PHE 71 Ca 0.05 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.85 3hri h PHE 71 Cb 0.26 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.69 3hri h PHE 71 CO 0.01 0.44 0.27 -0.44 -1.61 0.00 0.00 178.31 176.97 3hri h ASP 72 N 0.24 0.37 -0.68 2.17 3.32 -1.04 0.08 116.42 120.89 3hri h ASP 72 Ca 0.04 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3hri h ASP 72 Cb 0.47 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 3hri h ASP 72 CO 0.03 0.25 0.40 0.58 -1.72 0.00 0.00 179.24 178.78 3hri h VAL 73 N 0.51 1.03 -0.25 -1.35 2.07 -1.27 0.32 116.25 117.31 3hri h VAL 73 Ca 0.25 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3hri h VAL 73 Cb 0.18 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3hri h VAL 73 CO -0.18 0.14 0.10 -0.26 0.02 0.00 0.00 177.57 177.39 3hri h PHE 74 N 0.76 0.38 -0.31 1.57 0.04 -1.02 0.86 116.94 119.22 3hri h PHE 74 Ca 0.29 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.08 3hri h PHE 74 Cb 0.11 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3hri h PHE 74 CO -0.06 0.39 0.06 0.45 -0.60 0.00 0.00 178.31 178.55 3hri h HIS 75 N 0.25 0.09 -0.52 -0.55 3.86 -0.67 -0.83 115.15 116.79 3hri h HIS 75 Ca 0.08 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 3hri h HIS 75 Cb 0.17 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3hri h HIS 75 CO -0.01 0.01 -0.15 1.03 0.86 0.00 0.00 177.93 179.67 3hri h SER 76 N 0.17 1.02 -0.21 2.45 0.87 -0.08 -0.42 113.55 117.36 3hri h SER 76 Ca 0.15 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 3hri h SER 76 Cb 0.16 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3hri h SER 76 CO -0.20 1.15 -0.01 0.74 -0.53 0.00 0.00 176.83 177.98 3hri h THR 77 N 0.89 1.26 -0.69 2.23 2.02 -0.72 -1.39 112.91 116.50 3hri h THR 77 Ca 0.13 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3hri h THR 77 Cb 0.72 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3hri h THR 77 CO 0.06 0.28 0.44 0.00 0.37 0.00 0.00 175.52 176.66 3hri h ALA 78 N 0.78 1.48 -0.14 6.16 0.00 -0.96 -0.42 119.26 126.16 3hri h ALA 78 Ca 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3hri h ALA 78 Cb 0.42 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hri h ALA 78 CO 0.01 0.47 -0.69 -0.09 0.00 0.00 0.00 179.25 178.95 3hri h ARG 79 N 0.94 0.71 -0.49 0.00 2.43 -0.92 0.45 114.38 117.50 3hri h ARG 79 Ca 0.25 -0.58 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3hri h ARG 79 Cb -0.08 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3hri h ARG 79 CO -0.05 1.19 0.04 0.87 -1.51 0.00 0.00 179.97 180.51 3hri h LYS 80 N 0.41 0.80 -0.05 0.20 1.57 -1.05 -2.58 116.57 115.86 3hri h LYS 80 Ca -0.05 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3hri h LYS 80 Cb 1.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3hri h LYS 80 CO 0.14 0.78 0.00 1.19 -0.57 0.00 0.00 179.45 181.00 3hri n PHE 81 N -4.23 0.07 -2.27 -1.35 0.99 -0.18 -4.91 117.46 105.58 3hri n PHE 81 Ca 0.03 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 3hri n PHE 81 Cb 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.76 3hri n PHE 81 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hri n GLY 82 N 0.88 -0.09 3.84 1.37 0.00 -0.88 -5.04 105.19 105.26 3hri n GLY 82 Ca 0.14 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3hri n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hri s PHE 83 N -2.61 3.71 0.01 1.61 0.40 0.15 -4.83 117.98 116.42 3hri s PHE 83 Ca 0.02 1.05 -0.10 0.00 -0.60 0.00 0.00 56.93 57.29 3hri s PHE 83 Cb -0.01 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.13 3hri s PHE 83 CO 0.02 0.58 0.34 -1.21 0.70 0.00 0.00 175.22 175.65 3hri s GLU 84 N -1.34 3.73 0.28 0.44 2.02 0.00 -4.44 118.70 119.40 3hri s GLU 84 Ca 0.28 0.16 -0.25 0.00 0.02 0.00 0.00 54.97 55.19 3hri s GLU 84 Cb -0.17 -3.12 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 3hri s GLU 84 CO 0.16 0.65 0.89 -2.00 0.02 0.00 0.00 175.26 174.98 3hri s GLU 85 N -1.47 4.53 0.34 1.61 2.12 -1.26 -0.40 118.70 124.17 3hri s GLU 85 Ca 0.26 1.23 0.03 0.00 0.36 0.00 0.00 54.97 56.86 3hri s GLU 85 Cb -0.14 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 3hri s GLU 85 CO 0.14 0.34 0.13 1.52 -0.54 0.00 0.00 175.26 176.85 3hri s TYR 86 N -1.53 1.72 0.20 5.30 -0.85 0.89 -4.85 117.35 118.22 3hri s TYR 86 Ca 0.47 -1.26 -0.22 0.00 -0.52 0.00 0.00 57.07 55.53 3hri s TYR 86 Cb -0.19 -1.02 0.05 0.00 0.38 0.00 0.00 41.96 41.18 3hri s TYR 86 CO 0.24 -0.35 0.65 0.34 -1.52 0.00 0.00 175.55 174.91 3hri s ASP 87 N -3.46 -0.46 0.31 -0.18 2.15 -1.26 -4.45 116.67 109.32 3hri s ASP 87 Ca 0.32 -0.20 -0.03 0.00 0.43 0.00 0.00 52.55 53.08 3hri s ASP 87 Cb 0.05 0.64 -0.01 0.00 -0.30 0.00 0.00 42.92 43.30 3hri s ASP 87 CO 0.16 -1.08 0.41 -0.44 -0.17 0.00 0.00 175.17 174.04 3hri s SER 88 N -2.80 0.76 0.42 -0.34 0.01 -1.26 -5.12 113.70 105.36 3hri s SER 88 Ca 0.04 -1.42 -0.25 0.00 1.31 0.00 0.00 55.95 55.63 3hri s SER 88 Cb -0.03 0.60 -0.08 0.00 0.21 0.00 0.00 66.02 66.72 3hri s SER 88 CO -0.06 -1.19 1.18 -2.84 0.41 0.00 0.00 173.24 170.74 3hri s PRO 89 N -3.39 3.97 0.53 12.44 0.02 -1.26 -4.89 135.00 142.42 3hri s PRO 89 Ca 0.32 1.84 0.32 0.00 0.02 0.00 0.00 61.00 63.50 3hri s PRO 89 Cb 0.01 -2.61 1.36 0.00 0.02 0.00 0.00 34.50 33.28 3hri s PRO 89 CO 0.18 -0.39 1.99 -0.39 -0.33 0.00 0.00 177.00 178.06 3hri h VAL 90 N 2.21 0.19 -3.55 3.83 -1.51 -1.95 -3.39 116.25 112.08 3hri h VAL 90 Ca -0.49 -0.61 -0.65 0.00 -1.23 0.00 0.00 66.70 63.72 3hri h VAL 90 Cb 1.24 1.51 -0.15 0.00 -2.13 0.00 0.00 31.29 31.76 3hri h VAL 90 CO 0.62 0.06 0.15 -0.22 -1.23 0.00 0.00 177.57 176.96 3hri s LEU 91 N -6.43 4.51 0.22 4.19 2.96 -1.26 -1.59 118.68 121.28 3hri s LEU 91 Ca 0.00 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 3hri s LEU 91 Cb 0.10 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 3hri s LEU 91 CO 0.56 -0.82 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.03 3hri s GLU 92 N 2.89 1.39 0.18 1.98 0.41 -0.80 -4.95 118.70 119.80 3hri s GLU 92 Ca 0.23 -1.64 -0.31 0.00 -0.41 0.00 0.00 54.97 52.85 3hri s GLU 92 Cb -0.14 -1.17 -0.09 0.00 -1.78 0.00 0.00 34.13 30.95 3hri s GLU 92 CO 0.19 0.17 1.42 0.45 -0.49 0.00 0.00 175.26 176.99 3hri s SER 93 N -3.35 6.74 0.37 -0.19 0.15 -1.26 -0.74 113.70 115.43 3hri s SER 93 Ca 0.24 2.50 0.13 0.00 0.70 0.00 0.00 55.95 59.52 3hri s SER 93 Cb -0.00 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.65 3hri s SER 93 CO 0.08 -0.67 1.83 -0.08 1.20 0.00 0.00 173.24 175.60 3hri h GLU 94 N 5.94 0.54 -0.37 5.44 4.81 -1.82 0.12 114.58 129.23 3hri h GLU 94 Ca -0.44 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.87 3hri h GLU 94 Cb 1.21 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3hri h GLU 94 CO 0.83 0.36 0.34 0.93 -0.73 0.00 0.00 179.01 180.73 3hri h GLU 95 N 0.56 0.00 -0.46 1.92 5.08 -1.91 -2.76 114.58 117.01 3hri h GLU 95 Ca 0.51 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.76 3hri h GLU 95 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3hri h GLU 95 CO -0.25 0.00 -0.14 1.25 -1.00 0.00 0.00 179.01 178.87 3hri h LEU 96 N 0.00 0.92 0.10 1.33 5.85 -1.13 -2.81 115.31 119.57 3hri h LEU 96 Ca 0.18 -0.37 -0.36 0.00 0.84 0.00 0.00 57.88 58.16 3hri h LEU 96 Cb 0.86 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3hri h LEU 96 CO -0.00 1.08 -2.04 -1.22 -0.34 0.00 0.00 178.44 175.92 3hri n TYR 97 N -4.22 1.05 0.27 1.25 4.01 -1.08 -3.82 117.16 114.62 3hri n TYR 97 Ca -0.00 0.23 0.15 0.00 -0.16 0.00 0.00 57.90 58.12 3hri n TYR 97 Cb 0.41 -1.13 0.87 0.00 -0.31 0.00 0.00 39.34 39.17 3hri n TYR 97 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 3hri h ILE 98 N -0.01 0.54 -0.09 -0.72 2.10 -1.60 0.28 117.51 118.02 3hri h ILE 98 Ca -0.45 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.34 3hri h ILE 98 Cb 1.97 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 3hri h ILE 98 CO 0.04 0.00 -0.60 -0.09 -1.08 0.00 0.00 178.15 176.42 3hri h ARG 99 N 0.00 0.30 0.02 2.19 2.43 -1.62 -0.68 114.38 117.02 3hri h ARG 99 Ca 0.03 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3hri h ARG 99 Cb 0.15 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hri h ARG 99 CO -0.00 0.81 -0.01 0.87 -1.51 0.00 0.00 179.97 180.13 3hri h LYS 100 N 0.22 -0.02 0.00 0.20 1.57 -0.58 -3.42 116.57 114.55 3hri h LYS 100 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hri h LYS 100 Cb 1.11 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hri h LYS 100 CO 0.10 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 3hri n ALA 101 N -2.40 2.00 0.00 3.86 0.00 -0.66 -5.13 120.51 118.18 3hri n ALA 101 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3hri n ALA 101 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3hri n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hri n GLY 102 N 0.35 0.43 0.25 0.00 0.00 -0.26 -4.64 105.19 101.31 3hri n GLY 102 Ca 0.00 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.05 3hri n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hri h GLU 103 N 0.00 0.00 -0.99 1.61 5.08 -1.95 -3.14 114.58 115.19 3hri h GLU 103 Ca 0.00 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.66 3hri h GLU 103 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 3hri h GLU 103 CO 0.00 0.17 0.54 1.05 -1.00 0.00 0.00 179.01 179.77 3hri h GLU 104 N 0.00 0.36 0.00 2.33 4.11 -1.96 -2.29 114.58 117.14 3hri h GLU 104 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3hri h GLU 104 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hri h GLU 104 CO 0.02 0.24 0.00 0.44 0.07 0.00 0.00 179.01 179.78 3hri n ILE 105 N -5.03 0.04 0.27 -1.06 -5.35 -1.19 -2.86 119.36 104.18 3hri n ILE 105 Ca 0.30 0.01 0.10 0.00 -0.27 0.00 0.00 62.75 62.89 3hri n ILE 105 Cb 0.90 -0.53 0.72 0.00 -1.74 0.00 0.00 39.64 38.99 3hri n ILE 105 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3hri h THR 106 N 0.00 0.85 0.00 7.28 1.35 -1.64 -2.84 112.91 117.91 3hri h THR 106 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3hri h THR 106 Cb 0.31 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3hri h THR 106 CO 0.00 0.02 -0.60 -0.33 -0.25 0.00 0.00 175.52 174.36 3hri h GLU 107 N 0.00 0.00 -0.58 4.72 5.08 -1.73 -3.33 114.58 118.74 3hri h GLU 107 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3hri h GLU 107 Cb 0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 3hri h GLU 107 CO 0.00 0.00 0.13 1.04 -1.00 0.00 0.00 179.01 179.18 3hri n GLN 108 N -2.24 3.75 -3.88 2.33 6.02 -1.07 -4.93 117.38 117.35 3hri n GLN 108 Ca 0.03 -3.08 -0.09 0.00 -0.01 0.00 0.00 57.00 53.85 3hri n GLN 108 Cb 0.46 -2.13 -0.06 0.00 1.02 0.00 0.00 30.24 29.52 3hri n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hri s MET 109 N -2.93 1.24 -0.78 -1.09 0.23 -1.23 -2.41 119.30 112.32 3hri s MET 109 Ca 0.52 -1.07 -0.22 0.00 -1.03 0.00 0.00 55.69 53.89 3hri s MET 109 Cb 0.41 0.43 0.07 0.00 -1.53 0.00 0.00 34.83 34.22 3hri s MET 109 CO 0.12 -0.48 1.12 -0.06 -2.03 0.00 0.00 175.02 173.69 3hri s PHE 110 N -3.93 2.69 0.38 3.16 0.40 -1.26 -4.82 117.98 114.60 3hri s PHE 110 Ca 0.14 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 55.72 3hri s PHE 110 Cb 0.02 -4.40 -0.05 0.00 0.51 0.00 0.00 43.02 39.10 3hri s PHE 110 CO -0.01 -1.73 0.69 -0.80 0.70 0.00 0.00 175.22 174.07 3hri s ASN 111 N 3.85 6.40 0.05 1.36 0.01 -1.26 -2.02 114.94 123.34 3hri s ASN 111 Ca 0.30 0.88 -0.28 0.00 -0.71 0.00 0.00 52.86 53.04 3hri s ASN 111 Cb -0.10 -2.22 0.10 0.00 0.41 0.00 0.00 41.25 39.43 3hri s ASN 111 CO 0.04 -0.38 1.11 0.72 -1.51 0.00 0.00 177.10 177.09 3hri s PHE 112 N -2.38 -0.10 0.34 2.20 -0.12 0.03 -4.97 117.98 112.98 3hri s PHE 112 Ca 0.47 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 57.33 3hri s PHE 112 Cb -0.10 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 3hri s PHE 112 CO 0.35 -0.53 0.28 0.42 -0.05 0.00 0.00 175.22 175.68 3hri s ILE 113 N -2.85 3.38 0.00 -4.49 1.09 -1.26 -0.12 121.20 116.94 3hri s ILE 113 Ca 0.12 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.26 3hri s ILE 113 Cb 0.01 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 3hri s ILE 113 CO -0.01 -0.16 0.00 0.35 -0.10 0.00 0.00 174.94 175.01 3hri n THR 114 N -1.35 0.00 -1.72 2.92 -2.24 -1.26 -4.91 114.28 105.72 3hri n THR 114 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3hri n THR 114 Cb 0.60 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3hri n THR 114 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hri n HIS 118 N -1.11 -2.74 -3.63 4.78 -0.00 -1.26 -5.21 115.22 106.05 3hri n HIS 118 Ca 0.00 1.63 -0.37 0.00 -0.00 0.00 0.00 57.72 58.98 3hri n HIS 118 Cb 0.10 -3.04 -0.06 0.00 -0.00 0.00 0.00 29.99 27.00 3hri n HIS 118 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3hri s ARG 119 N -1.27 3.75 0.13 1.57 0.52 -1.26 -5.04 118.95 117.35 3hri s ARG 119 Ca 0.00 0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.40 3hri s ARG 119 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 3hri s ARG 119 CO 0.00 0.70 0.06 0.14 0.02 0.00 0.00 175.30 176.22 3hri s VAL 120 N -1.12 0.10 0.02 3.52 -7.23 0.82 -2.97 120.40 113.54 3hri s VAL 120 Ca 0.23 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 3hri s VAL 120 Cb -0.15 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.78 3hri s VAL 120 CO 0.12 -0.47 0.24 0.00 -0.31 0.00 0.00 175.10 174.68 3hri s ALA 121 N -4.04 -0.55 0.12 1.32 0.00 0.08 -0.79 121.76 117.91 3hri s ALA 121 Ca 0.23 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 3hri s ALA 121 Cb 0.07 0.19 -0.08 0.00 0.00 0.00 0.00 23.12 23.31 3hri s ALA 121 CO 0.01 -0.31 1.33 -0.51 0.00 0.00 0.00 175.76 176.28 3hri s LEU 122 N -1.72 4.38 0.30 0.00 1.43 -0.85 -1.90 118.68 120.32 3hri s LEU 122 Ca -0.10 2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.98 3hri s LEU 122 Cb -0.04 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3hri s LEU 122 CO -0.00 -0.58 1.44 0.00 0.23 0.00 0.00 176.35 177.43 3hri s ARG 123 N 0.84 4.24 0.00 1.70 1.70 -0.62 -4.46 118.95 122.34 3hri s ARG 123 Ca 0.62 2.37 0.24 0.00 -0.47 0.00 0.00 55.73 58.49 3hri s ARG 123 Cb -0.35 -3.06 0.34 0.00 -0.57 0.00 0.00 34.95 31.31 3hri s ARG 123 CO 0.32 -0.41 1.30 -0.35 -1.08 0.00 0.00 175.30 175.07 3hri n PRO 124 N 1.58 0.64 -3.46 3.89 -0.04 -1.21 0.49 135.00 136.89 3hri n PRO 124 Ca 0.04 -0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 3hri n PRO 124 Cb 0.40 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 3hri n PRO 124 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hri s GLU 125 N -2.67 1.21 -0.09 0.54 -1.05 -1.26 -4.60 118.70 110.78 3hri s GLU 125 Ca 0.17 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 54.66 3hri s GLU 125 Cb 0.18 0.56 -0.25 0.00 -0.44 0.00 0.00 34.13 34.18 3hri s GLU 125 CO 0.63 -0.50 0.47 -0.12 0.95 0.00 0.00 175.26 176.69 3hri n MET 126 N -0.12 0.70 -0.24 -4.83 0.00 -1.26 -4.44 117.12 106.93 3hri n MET 126 Ca -0.17 0.27 0.05 0.00 -0.00 0.00 0.00 57.70 57.84 3hri n MET 126 Cb 0.63 -1.74 0.16 0.00 0.00 0.00 0.00 33.22 32.27 3hri n MET 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3hri h THR 127 N 0.04 0.41 -0.41 1.12 2.02 -2.00 0.21 112.91 114.30 3hri h THR 127 Ca -0.37 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 66.83 3hri h THR 127 Cb 2.03 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3hri h THR 127 CO 0.08 0.03 0.28 -0.65 0.37 0.00 0.00 175.52 175.63 3hri h PRO 128 N 0.15 0.24 -0.06 6.66 0.11 -1.95 -1.48 132.00 135.67 3hri h PRO 128 Ca 0.40 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.33 3hri h PRO 128 Cb 0.69 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3hri h PRO 128 CO -0.60 0.16 -0.68 0.77 -0.21 0.00 0.00 178.00 177.44 3hri h SER 129 N 0.25 0.30 -0.07 -2.05 0.02 -0.85 -2.66 113.55 108.49 3hri h SER 129 Ca 0.19 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3hri h SER 129 Cb 0.42 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3hri h SER 129 CO -0.04 0.89 -0.26 0.25 -1.14 0.00 0.00 176.83 176.53 3hri h LEU 130 N 0.18 -0.79 -0.11 5.07 5.85 -1.07 0.15 115.31 124.59 3hri h LEU 130 Ca -0.02 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hri h LEU 130 Cb 1.22 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3hri h LEU 130 CO 0.11 -0.32 0.06 0.00 -0.34 0.00 0.00 178.44 177.95 3hri h ALA 131 N 0.51 0.15 -1.00 1.25 0.00 -1.47 0.29 119.26 118.99 3hri h ALA 131 Ca 0.08 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.12 3hri h ALA 131 Cb 0.48 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 3hri h ALA 131 CO -0.28 -0.30 0.61 -0.09 0.00 0.00 0.00 179.25 179.20 3hri h ARG 132 N 0.07 0.71 -0.09 0.00 2.43 -1.35 0.54 114.38 116.70 3hri h ARG 132 Ca 0.04 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 3hri h ARG 132 Cb 0.11 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3hri h ARG 132 CO -0.01 0.47 -0.59 1.96 -1.51 0.00 0.00 179.97 180.30 3hri h GLN 133 N 0.74 0.56 -0.91 0.20 4.20 0.06 -2.26 115.11 117.69 3hri h GLN 133 Ca 0.57 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hri h GLN 133 Cb 0.93 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 3hri h GLN 133 CO -0.37 1.11 0.56 -0.07 -0.67 0.00 0.00 178.83 179.39 3hri h LEU 134 N 0.17 1.09 -0.33 1.46 3.38 0.28 -2.33 115.31 119.03 3hri h LEU 134 Ca -0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3hri h LEU 134 Cb 1.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3hri h LEU 134 CO 0.12 0.83 -0.07 -0.07 0.09 0.00 0.00 178.44 179.34 3hri h LEU 135 N 1.25 0.64 -0.96 1.67 3.38 0.03 -2.67 115.31 118.65 3hri h LEU 135 Ca 0.33 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 58.09 3hri h LEU 135 Cb -0.06 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.42 3hri h LEU 135 CO -0.06 0.85 0.58 0.00 0.09 0.00 0.00 178.44 179.90 3hri h ALA 136 N 0.81 1.51 0.00 1.53 0.00 -1.19 -1.26 119.26 120.65 3hri h ALA 136 Ca 0.08 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hri h ALA 136 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hri h ALA 136 CO 0.03 0.06 -0.35 0.87 0.00 0.00 0.00 179.25 179.86 3hri h LYS 137 N 0.83 0.00 0.00 0.00 1.57 -1.16 -3.48 116.57 114.33 3hri h LYS 137 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3hri h LYS 137 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3hri h LYS 137 CO -0.33 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 3hri n GLY 138 N -0.08 2.60 0.01 3.86 0.00 -0.48 -2.46 105.19 108.64 3hri n GLY 138 Ca -0.01 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.72 3hri n GLY 138 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hri n ARG 139 N 12.85 0.76 0.06 1.61 -4.01 -1.26 -3.06 116.66 123.61 3hri n ARG 139 Ca 0.00 -0.02 0.13 0.00 -1.04 0.00 0.00 57.85 56.92 3hri n ARG 139 Cb 0.00 -1.50 0.41 0.00 -3.04 0.00 0.00 32.46 28.33 3hri n ARG 139 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3hri n SER 140 N -1.10 0.54 -4.69 2.89 3.41 -1.03 -4.82 113.62 108.82 3hri n SER 140 Ca 0.20 0.40 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 3hri n SER 140 Cb 0.17 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3hri n SER 140 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hri s LEU 141 N -3.90 4.32 -0.23 1.04 0.20 -1.17 -4.97 118.68 113.98 3hri s LEU 141 Ca 0.11 2.18 -0.24 0.00 0.69 0.00 0.00 54.13 56.87 3hri s LEU 141 Cb 0.15 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.34 3hri s LEU 141 CO 0.61 -0.76 0.82 -1.48 -0.29 0.00 0.00 176.35 175.25 3hri s LEU 142 N 2.55 4.10 0.06 -0.68 2.34 -1.26 -5.03 118.68 120.76 3hri s LEU 142 Ca 0.66 1.05 0.00 0.00 0.06 0.00 0.00 54.13 55.90 3hri s LEU 142 Cb -0.33 -3.18 -0.04 0.00 -0.56 0.00 0.00 46.19 42.08 3hri s LEU 142 CO 0.27 -0.48 0.18 -0.76 -1.06 0.00 0.00 176.35 174.51 3hri s LEU 143 N 2.66 4.25 0.49 1.48 1.43 -1.26 -3.58 118.68 124.14 3hri s LEU 143 Ca 0.35 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.46 3hri s LEU 143 Cb -0.16 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.15 3hri s LEU 143 CO 0.08 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.78 3hri s PRO 144 N -2.44 3.70 -0.10 1.29 0.04 -1.26 -5.09 135.00 131.13 3hri s PRO 144 Ca 0.33 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3hri s PRO 144 Cb -0.13 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.21 3hri s PRO 144 CO 0.26 -0.56 -0.20 0.00 0.04 0.00 0.00 177.00 176.54 3hri s ALA 145 N -1.75 1.93 -0.38 8.56 0.00 -0.37 -4.98 121.76 124.77 3hri s ALA 145 Ca 0.67 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 3hri s ALA 145 Cb -0.23 -0.79 0.10 0.00 0.00 0.00 0.00 23.12 22.20 3hri s ALA 145 CO 0.27 0.16 0.14 0.15 0.00 0.00 0.00 175.76 176.47 3hri s LYS 146 N 0.57 1.93 -0.08 0.00 1.02 -1.26 -0.33 119.74 121.59 3hri s LYS 146 Ca -0.15 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.08 3hri s LYS 146 Cb -0.17 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 3hri s LYS 146 CO 0.05 -0.98 -0.06 -1.58 -0.92 0.00 0.00 175.35 171.86 3hri s TRP 147 N 1.09 2.98 0.08 3.18 0.52 0.34 -0.82 118.94 126.31 3hri s TRP 147 Ca 0.07 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.24 3hri s TRP 147 Cb -0.21 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 3hri s TRP 147 CO -0.05 0.32 -0.09 1.52 0.02 0.00 0.00 176.95 178.67 3hri s TYR 148 N -0.72 0.93 0.14 -1.98 1.13 0.47 -0.81 117.35 116.51 3hri s TYR 148 Ca 0.11 -0.67 -0.11 0.00 -1.41 0.00 0.00 57.07 54.99 3hri s TYR 148 Cb -0.11 -0.52 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 3hri s TYR 148 CO 0.02 -0.05 0.31 -1.54 -2.51 0.00 0.00 175.55 171.77 3hri s SER 149 N -2.36 -0.01 -0.45 -0.18 1.04 -1.20 -0.07 113.70 110.47 3hri s SER 149 Ca 0.03 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 55.86 3hri s SER 149 Cb -0.03 0.43 0.40 0.00 0.10 0.00 0.00 66.02 66.93 3hri s SER 149 CO -0.01 -0.86 1.00 -0.38 0.98 0.00 0.00 173.24 173.97 3hri n ILE 150 N -0.19 2.03 -2.32 -1.02 5.41 -1.26 -0.90 119.36 121.12 3hri n ILE 150 Ca -0.11 -4.72 -0.34 0.00 1.00 0.00 0.00 62.75 58.58 3hri n ILE 150 Cb 0.63 -0.84 -0.01 0.00 -0.71 0.00 0.00 39.64 38.71 3hri n ILE 150 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hri s PRO 151 N -3.33 3.49 0.45 0.38 0.04 -1.17 -4.45 135.00 130.41 3hri s PRO 151 Ca 0.44 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 3hri s PRO 151 Cb 0.38 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.79 3hri s PRO 151 CO -0.12 -0.71 0.92 -1.14 0.04 0.00 0.00 177.00 175.99 3hri s GLN 152 N -3.39 4.04 0.06 4.56 0.74 -1.26 -2.34 119.66 122.06 3hri s GLN 152 Ca 0.69 0.92 -0.00 0.00 0.05 0.00 0.00 55.36 57.02 3hri s GLN 152 Cb -0.20 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.65 3hri s GLN 152 CO 0.26 -0.10 -0.04 0.00 -0.55 0.00 0.00 175.29 174.86 3hri s TRP 154 N -3.86 0.42 -0.10 0.00 0.52 0.18 -2.69 118.94 113.41 3hri s TRP 154 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 56.10 56.21 3hri s TRP 154 Cb 0.07 -0.67 0.02 0.00 -1.15 0.00 0.00 33.47 31.75 3hri s TRP 154 CO -0.09 -0.27 -0.09 0.50 0.02 0.00 0.00 176.95 177.03 3hri s ARG 155 N 2.02 1.57 -0.72 4.98 3.52 -0.97 -3.31 118.95 126.04 3hri s ARG 155 Ca 0.05 -0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 55.09 3hri s ARG 155 Cb -0.12 -1.54 0.04 0.00 -1.56 0.00 0.00 34.95 31.77 3hri s ARG 155 CO -0.04 -0.20 1.20 -0.47 -0.81 0.00 0.00 175.30 174.98 3hri s TYR 156 N 1.46 2.38 0.00 5.12 5.04 -1.01 -4.06 117.35 126.28 3hri s TYR 156 Ca 0.00 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3hri s TYR 156 Cb -0.13 -4.55 0.00 0.00 0.35 0.00 0.00 41.96 37.63 3hri s TYR 156 CO -0.05 -1.96 0.00 0.39 -1.34 0.00 0.00 175.55 172.58 3hri n GLU 157 N 8.96 0.33 -2.94 4.97 -0.58 -1.26 -4.51 120.64 125.61 3hri n GLU 157 Ca 0.02 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.50 3hri n GLU 157 Cb 0.48 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.35 3hri n GLU 157 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hri s ALA 158 N -2.00 3.52 -0.18 0.62 0.00 -1.26 -4.91 121.76 117.55 3hri s ALA 158 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 3hri s ALA 158 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 3hri s ALA 158 CO 0.00 -0.22 -0.23 -0.89 0.00 0.00 0.00 175.76 174.42 3hri n ILE 159 N -2.06 0.99 1.99 0.00 -0.00 -1.26 -4.31 119.36 114.70 3hri n ILE 159 Ca -0.02 -0.26 0.04 0.00 -0.00 0.00 0.00 62.75 62.52 3hri n ILE 159 Cb 0.56 -1.72 0.26 0.00 -0.00 0.00 0.00 39.64 38.74 3hri n ILE 159 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3hri n THR 160 N -3.78 0.00 -3.61 1.39 -2.24 -1.26 -3.93 114.28 100.85 3hri n THR 160 Ca -0.35 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 3hri n THR 160 Cb 0.75 -0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 3hri n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hri n ARG 161 N -0.63 2.34 0.00 -0.78 3.00 -1.26 -5.03 116.66 114.31 3hri n ARG 161 Ca 0.07 -4.59 0.00 0.00 -0.01 0.00 0.00 57.85 53.32 3hri n ARG 161 Cb 0.03 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.20 3hri n ARG 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hri n GLY 162 N 1.41 1.64 3.72 -0.13 0.00 -1.25 -4.84 105.19 105.73 3hri n GLY 162 Ca 0.25 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3hri n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hri s ARG 163 N 0.00 -0.17 -0.03 1.61 0.52 -1.26 -4.98 118.95 114.65 3hri s ARG 163 Ca 0.00 -0.04 0.25 0.00 -0.52 0.00 0.00 55.73 55.42 3hri s ARG 163 Cb 0.00 -1.72 0.44 0.00 0.52 0.00 0.00 34.95 34.19 3hri s ARG 163 CO 0.00 -3.01 1.17 2.89 0.02 0.00 0.00 175.30 176.36 3hri n ARG 164 N -4.27 0.19 0.00 3.54 1.85 -1.26 -4.13 116.66 112.58 3hri n ARG 164 Ca 0.12 -2.16 0.00 0.00 -1.00 0.00 0.00 57.85 54.81 3hri n ARG 164 Cb 0.59 -0.18 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 3hri n ARG 164 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hri n ARG 165 N 0.36 0.00 -3.74 2.89 1.74 -1.26 -4.32 116.66 112.34 3hri n ARG 165 Ca 0.07 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 3hri n ARG 165 Cb 1.11 -2.85 -0.12 0.00 -1.02 0.00 0.00 32.46 29.57 3hri n ARG 165 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hri s GLU 166 N 0.00 0.26 -0.06 5.56 -6.30 -1.24 -2.29 118.70 114.64 3hri s GLU 166 Ca 0.00 0.53 -0.20 0.00 -2.50 0.00 0.00 54.97 52.80 3hri s GLU 166 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 34.13 34.13 3hri s GLU 166 CO 0.00 -0.13 0.44 -3.38 0.02 0.00 0.00 175.26 172.21 3hri s HIS 167 N 1.00 -0.38 0.42 5.30 -3.43 -1.09 -4.94 115.29 112.17 3hri s HIS 167 Ca -0.07 0.70 -0.02 0.00 -0.80 0.00 0.00 55.06 54.87 3hri s HIS 167 Cb -0.08 0.20 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 3hri s HIS 167 CO -0.07 -0.43 0.68 0.71 -2.00 0.00 0.00 174.74 173.63 3hri s TYR 168 N -0.99 3.50 -0.26 0.38 2.02 -1.26 -1.41 117.35 119.33 3hri s TYR 168 Ca -0.10 0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 57.05 3hri s TYR 168 Cb -0.03 -2.14 0.10 0.00 -0.40 0.00 0.00 41.96 39.49 3hri s TYR 168 CO 0.05 -0.13 0.59 -1.14 -1.57 0.00 0.00 175.55 173.35 3hri s GLN 169 N -4.55 0.54 -0.66 -0.62 0.74 -0.99 -1.74 119.66 112.38 3hri s GLN 169 Ca 0.44 1.26 -0.27 0.00 0.05 0.00 0.00 55.36 56.84 3hri s GLN 169 Cb -0.10 0.51 0.01 0.00 1.10 0.00 0.00 33.01 34.52 3hri s GLN 169 CO 0.40 -0.19 1.53 -0.46 -0.55 0.00 0.00 175.29 176.02 3hri s TRP 170 N 2.40 2.04 0.63 1.67 -0.00 -0.63 -3.07 118.94 121.98 3hri s TRP 170 Ca -0.06 0.37 -0.08 0.00 -0.00 0.00 0.00 56.10 56.32 3hri s TRP 170 Cb -0.10 -4.38 0.01 0.00 -0.00 0.00 0.00 33.47 29.00 3hri s TRP 170 CO -0.17 -2.16 0.97 -0.80 -0.00 0.00 0.00 176.95 174.79 3hri s ASN 171 N 5.54 5.57 -0.30 5.86 -0.87 -0.07 -0.83 114.94 129.84 3hri s ASN 171 Ca 0.51 0.89 -0.14 0.00 -1.57 0.00 0.00 52.86 52.55 3hri s ASN 171 Cb -0.10 -1.82 0.17 0.00 -0.02 0.00 0.00 41.25 39.48 3hri s ASN 171 CO 0.19 -1.15 1.02 -0.32 -2.57 0.00 0.00 177.10 174.27 3hri s MET 172 N -5.13 0.24 -0.08 -0.60 1.75 -1.08 -3.23 119.30 111.17 3hri s MET 172 Ca 0.55 0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 55.48 3hri s MET 172 Cb -0.11 0.30 0.04 0.00 2.84 0.00 0.00 34.83 37.91 3hri s MET 172 CO 0.48 -0.17 0.18 -0.51 -0.65 0.00 0.00 175.02 174.35 3hri s ASP 173 N 2.64 -0.00 -0.15 1.11 1.11 0.01 -1.50 116.67 119.88 3hri s ASP 173 Ca -0.00 0.37 -0.05 0.00 0.18 0.00 0.00 52.55 53.05 3hri s ASP 173 Cb -0.08 0.28 -0.03 0.00 1.07 0.00 0.00 42.92 44.16 3hri s ASP 173 CO -0.15 -0.17 -0.00 -0.63 1.18 0.00 0.00 175.17 175.40 3hri s ILE 174 N 1.42 4.23 0.02 0.77 1.01 -0.53 -0.51 121.20 127.61 3hri s ILE 174 Ca -0.07 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.39 3hri s ILE 174 Cb -0.11 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3hri s ILE 174 CO -0.07 0.50 -0.15 0.27 0.00 0.00 0.00 174.94 175.49 3hri s ILE 175 N 0.18 1.19 0.00 2.92 -4.36 0.55 -2.69 121.20 118.99 3hri s ILE 175 Ca 0.01 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 3hri s ILE 175 Cb -0.13 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.55 3hri s ILE 175 CO 0.02 0.17 0.00 0.61 0.24 0.00 0.00 174.94 175.98 3hri n GLY 176 N 2.26 0.69 3.21 6.27 0.00 -1.03 -1.23 105.19 115.36 3hri n GLY 176 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3hri n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hri s VAL 177 N -2.01 3.33 0.18 1.61 1.01 -1.26 -4.76 120.40 118.50 3hri s VAL 177 Ca 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 3hri s VAL 177 Cb 0.00 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.54 3hri s VAL 177 CO 0.00 -0.17 1.71 0.11 0.00 0.00 0.00 175.10 176.75 3hri h LYS 178 N 8.09 0.98 0.00 2.72 1.79 -1.98 -3.43 116.57 124.74 3hri h LYS 178 Ca -0.21 -0.21 -0.35 0.00 -2.18 0.00 0.00 60.65 57.70 3hri h LYS 178 Cb 1.07 -0.14 0.12 0.00 -1.58 0.00 0.00 32.23 31.70 3hri h LYS 178 CO 0.57 0.87 0.27 -1.13 -1.08 0.00 0.00 179.45 178.94 3hri n SER 179 N -4.37 0.35 -0.86 0.86 3.41 -1.26 -4.96 113.62 106.79 3hri n SER 179 Ca 0.04 -1.52 0.11 0.00 -0.26 0.00 0.00 58.87 57.24 3hri n SER 179 Cb 0.21 -0.72 0.28 0.00 -0.26 0.00 0.00 64.21 63.72 3hri n SER 179 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3hri n VAL 180 N -3.21 0.39 0.25 -3.33 3.14 -1.26 -3.86 118.33 110.45 3hri n VAL 180 Ca 0.13 -0.56 0.13 0.00 -2.96 0.00 0.00 64.34 61.08 3hri n VAL 180 Cb 0.46 0.64 0.64 0.00 -1.06 0.00 0.00 33.84 34.52 3hri n VAL 180 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3hri h SER 181 N 3.30 0.00 0.67 6.55 4.64 -1.95 -2.38 113.55 124.38 3hri h SER 181 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3hri h SER 181 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3hri h SER 181 CO 0.00 0.14 -1.03 0.77 -0.87 0.00 0.00 176.83 175.84 3hri h SER 182 N 0.00 0.28 -0.19 4.97 4.64 -1.91 -1.47 113.55 119.87 3hri h SER 182 Ca -0.00 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hri h SER 182 Cb 0.51 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3hri h SER 182 CO 0.02 1.14 0.11 -0.33 -0.87 0.00 0.00 176.83 176.90 3hri h GLU 183 N 0.08 0.26 -0.91 4.77 3.07 -1.76 -2.08 114.58 118.02 3hri h GLU 183 Ca -0.07 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.85 3hri h GLU 183 Cb 1.73 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 29.51 3hri h GLU 183 CO 0.16 0.23 0.56 0.28 -1.40 0.00 0.00 179.01 178.84 3hri h VAL 184 N 0.21 0.99 -0.01 3.13 2.07 -1.37 -1.78 116.25 119.50 3hri h VAL 184 Ca 0.07 -0.33 -0.22 0.00 0.82 0.00 0.00 66.70 67.03 3hri h VAL 184 Cb 0.05 -0.06 0.02 0.00 -1.52 0.00 0.00 31.29 29.77 3hri h VAL 184 CO -0.01 0.18 -0.86 -0.08 0.02 0.00 0.00 177.57 176.82 3hri h GLU 185 N 0.97 0.59 -0.67 1.57 4.81 -1.15 -1.49 114.58 119.20 3hri h GLU 185 Ca 0.42 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3hri h GLU 185 Cb 0.29 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3hri h GLU 185 CO -0.21 1.24 0.39 -0.07 -0.73 0.00 0.00 179.01 179.63 3hri h LEU 186 N 0.20 0.81 -0.09 1.64 3.38 -1.18 0.16 115.31 120.23 3hri h LEU 186 Ca -0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3hri h LEU 186 Cb 1.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3hri h LEU 186 CO 0.17 0.64 -0.10 0.58 0.09 0.00 0.00 178.44 179.81 3hri h VAL 187 N 0.93 1.37 -1.04 1.22 2.07 -1.32 -2.46 116.25 117.03 3hri h VAL 187 Ca 0.24 -1.28 0.28 0.00 0.82 0.00 0.00 66.70 66.76 3hri h VAL 187 Cb -0.01 2.01 -0.12 0.00 -1.52 0.00 0.00 31.29 31.65 3hri h VAL 187 CO -0.04 0.36 0.64 0.00 0.02 0.00 0.00 177.57 178.55 3hri h ALA 189 N 1.69 0.14 -0.63 0.00 0.00 -0.51 0.14 119.26 120.09 3hri h ALA 189 Ca 0.65 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.48 3hri h ALA 189 Cb 1.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3hri h ALA 189 CO -0.42 -0.23 0.35 0.00 0.00 0.00 0.00 179.25 178.95 3hri h ALA 190 N 0.83 0.84 -0.29 0.00 0.00 -0.44 0.23 119.26 120.42 3hri h ALA 190 Ca 0.03 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3hri h ALA 190 Cb 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hri h ALA 190 CO -0.00 0.03 -0.52 0.00 0.00 0.00 0.00 179.25 178.76 3hri h THR 192 N 0.66 1.15 -0.27 0.00 2.02 0.01 0.46 112.91 116.93 3hri h THR 192 Ca 0.02 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3hri h THR 192 Cb 1.12 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3hri h THR 192 CO 0.12 0.18 0.05 0.00 0.37 0.00 0.00 175.52 176.24 3hri h ALA 193 N 1.32 0.36 0.00 6.16 0.00 -0.92 -1.24 119.26 124.94 3hri h ALA 193 Ca 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hri h ALA 193 Cb -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hri h ALA 193 CO -0.10 0.03 -0.13 0.52 0.00 0.00 0.00 179.25 179.57 3hri h MET 194 N 0.27 0.00 0.09 0.00 2.86 -0.32 -1.81 114.93 116.02 3hri h MET 194 Ca 0.08 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.45 3hri h MET 194 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3hri h MET 194 CO 0.00 0.13 -1.33 0.37 1.06 0.00 0.00 176.91 177.15 3hri h GLN 195 N 0.00 0.20 -0.02 1.72 4.15 0.13 -0.57 115.11 120.72 3hri h GLN 195 Ca -0.00 -0.34 -0.09 0.00 0.77 0.00 0.00 58.65 58.98 3hri h GLN 195 Cb 0.25 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3hri h GLN 195 CO 0.02 1.10 -0.43 0.77 -1.93 0.00 0.00 178.83 178.36 3hri h SER 196 N 0.05 0.05 0.78 -0.69 0.02 -0.77 -2.63 113.55 110.37 3hri h SER 196 Ca -0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3hri h SER 196 Cb 1.95 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3hri h SER 196 CO 0.17 0.48 0.00 0.18 -1.14 0.00 0.00 176.83 176.51 3hri n LEU 197 N -4.02 0.07 0.00 5.07 4.77 -0.72 -4.87 117.00 117.29 3hri n LEU 197 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3hri n LEU 197 Cb 0.46 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3hri n LEU 197 CO 0.40 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3hri n GLY 198 N 0.73 1.05 3.85 -0.72 0.00 -0.99 -4.88 105.19 104.23 3hri n GLY 198 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3hri n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hri s LEU 199 N 0.00 4.19 0.44 0.99 1.43 -0.23 -5.00 118.68 120.50 3hri s LEU 199 Ca 0.00 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 3hri s LEU 199 Cb 0.00 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 3hri s LEU 199 CO 0.00 -0.07 0.13 -0.94 0.23 0.00 0.00 176.35 175.70 3hri s SER 200 N -2.09 4.26 0.56 2.29 1.04 -1.26 -4.25 113.70 114.24 3hri s SER 200 Ca 0.47 -1.25 0.29 0.00 0.48 0.00 0.00 55.95 55.95 3hri s SER 200 Cb -0.12 -0.25 1.64 0.00 0.10 0.00 0.00 66.02 67.39 3hri s SER 200 CO 0.19 -0.61 2.15 0.28 0.98 0.00 0.00 173.24 176.24 3hri h SER 201 N 1.45 0.00 -0.42 7.02 0.02 -1.88 -0.31 113.55 119.42 3hri h SER 201 Ca -0.43 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 3hri h SER 201 Cb 1.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 3hri h SER 201 CO 0.72 0.07 -0.14 0.11 -1.14 0.00 0.00 176.83 176.46 3hri h LYS 202 N 0.00 0.89 0.21 3.45 6.56 -1.95 -3.33 116.57 122.40 3hri h LYS 202 Ca -0.00 -0.33 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 3hri h LYS 202 Cb 0.20 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3hri h LYS 202 CO 0.01 0.97 -0.10 -0.44 -2.06 0.00 0.00 179.45 177.83 3hri h ASP 203 N 0.80 -0.24 -2.64 0.86 3.32 -1.46 -3.42 116.42 113.63 3hri h ASP 203 Ca 0.12 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3hri h ASP 203 Cb 0.66 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3hri h ASP 203 CO 0.05 0.29 0.00 1.33 -1.72 0.00 0.00 179.24 179.18 3hri n VAL 204 N -4.97 0.00 0.00 -1.35 0.24 -0.87 -0.07 118.33 111.31 3hri n VAL 204 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3hri n VAL 204 Cb 0.25 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3hri n VAL 204 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hri n GLY 205 N 4.44 -0.26 2.98 7.63 0.00 -0.59 -4.57 105.19 114.83 3hri n GLY 205 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 3hri n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hri s VAL 206 N -2.00 0.99 0.11 1.61 1.01 -0.39 -1.28 120.40 120.44 3hri s VAL 206 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 3hri s VAL 206 Cb 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 3hri s VAL 206 CO 0.00 0.33 0.76 -0.54 0.00 0.00 0.00 175.10 175.64 3hri s LYS 207 N 0.86 4.51 0.02 2.72 1.02 -0.54 -0.87 119.74 127.46 3hri s LYS 207 Ca -0.11 1.09 0.05 0.00 0.02 0.00 0.00 55.97 57.01 3hri s LYS 207 Cb -0.15 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 3hri s LYS 207 CO 0.01 0.46 -0.12 0.42 -0.92 0.00 0.00 175.35 175.21 3hri s ILE 208 N -0.70 3.28 0.28 2.17 1.09 0.22 -2.60 121.20 124.93 3hri s ILE 208 Ca 0.36 -0.96 -0.03 0.00 -1.10 0.00 0.00 60.65 58.92 3hri s ILE 208 Cb -0.22 -2.41 -0.02 0.00 -1.06 0.00 0.00 42.46 38.75 3hri s ILE 208 CO 0.24 0.36 0.34 0.21 -0.10 0.00 0.00 174.94 176.00 3hri s ASN 209 N -1.44 0.57 -0.02 3.58 2.47 -0.98 -0.89 114.94 118.23 3hri s ASN 209 Ca 0.16 -1.37 -0.01 0.00 0.42 0.00 0.00 52.86 52.07 3hri s ASN 209 Cb -0.11 0.55 0.02 0.00 -1.45 0.00 0.00 41.25 40.26 3hri s ASN 209 CO 0.07 -1.09 0.04 -0.55 -3.72 0.00 0.00 177.10 171.85 3hri s SER 210 N -3.18 0.01 0.24 -4.21 0.15 -1.26 -2.43 113.70 103.02 3hri s SER 210 Ca 0.33 0.07 0.26 0.00 0.70 0.00 0.00 55.95 57.31 3hri s SER 210 Cb 0.02 0.01 0.85 0.00 -1.71 0.00 0.00 66.02 65.19 3hri s SER 210 CO 0.16 -0.08 1.76 0.08 1.20 0.00 0.00 173.24 176.36 3hri h ARG 211 N 6.80 0.00 0.00 5.44 0.11 -1.66 -3.00 114.38 122.07 3hri h ARG 211 Ca -0.37 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.67 3hri h ARG 211 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 3hri h ARG 211 CO 0.48 0.00 -0.19 0.87 0.10 0.00 0.00 179.97 181.22 3hri h LYS 212 N 0.00 0.00 0.63 0.08 1.57 -1.78 -0.70 116.57 116.37 3hri h LYS 212 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3hri h LYS 212 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.97 3hri h LYS 212 CO 0.00 0.19 -0.30 0.82 -0.57 0.00 0.00 179.45 179.59 3hri h ILE 213 N 0.00 0.38 -0.07 1.86 2.04 -1.89 -2.73 117.51 117.11 3hri h ILE 213 Ca -0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3hri h ILE 213 Cb 0.67 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3hri h ILE 213 CO 0.03 0.00 0.02 0.25 0.00 0.00 0.00 178.15 178.45 3hri h LEU 214 N -0.85 0.10 -0.88 1.44 7.12 -1.66 -2.30 115.31 118.27 3hri h LEU 214 Ca -0.09 -0.21 -0.05 0.00 0.13 0.00 0.00 57.88 57.66 3hri h LEU 214 Cb 0.65 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 3hri h LEU 214 CO 0.14 0.28 0.26 0.06 -0.13 0.00 0.00 178.44 179.05 3hri h GLN 215 N -0.10 1.08 -0.10 1.25 3.07 -1.20 -2.51 115.11 116.60 3hri h GLN 215 Ca 0.02 -0.20 -0.20 0.00 0.09 0.00 0.00 58.65 58.36 3hri h GLN 215 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 27.61 3hri h GLN 215 CO -0.00 0.89 -0.76 1.79 0.09 0.00 0.00 178.83 180.85 3hri h THR 216 N 1.05 1.34 -1.03 1.86 1.35 -1.49 -2.24 112.91 113.75 3hri h THR 216 Ca 0.24 -2.08 0.26 0.00 -0.55 0.00 0.00 66.41 64.27 3hri h THR 216 Cb 0.24 2.07 -0.11 0.00 -1.73 0.00 0.00 68.15 68.62 3hri h THR 216 CO -0.01 0.64 0.63 0.58 -0.25 0.00 0.00 175.52 177.11 3hri h VAL 217 N 0.38 0.53 -3.11 6.82 2.07 -1.00 -3.36 116.25 118.58 3hri h VAL 217 Ca -0.04 -0.17 -0.57 0.00 0.82 0.00 0.00 66.70 66.74 3hri h VAL 217 Cb 1.35 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3hri h VAL 217 CO 0.14 0.09 1.12 -0.69 0.02 0.00 0.00 177.57 178.25 3hri s VAL 218 N -5.64 3.79 -0.32 2.57 1.01 -0.84 -5.01 120.40 115.96 3hri s VAL 218 Ca -0.10 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3hri s VAL 218 Cb 0.26 -4.09 0.30 0.00 0.00 0.00 0.00 36.38 32.86 3hri s VAL 218 CO 0.80 -0.71 1.33 -0.62 0.00 0.00 0.00 175.10 175.90 3hri n GLU 219 N 8.21 0.09 0.05 2.72 1.02 -1.26 -4.96 120.64 126.51 3hri n GLU 219 Ca 0.18 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 3hri n GLU 219 Cb 0.48 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 3hri n GLU 219 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hri n ASP 226 N 1.06 0.55 -4.41 1.62 9.92 -1.26 -5.17 116.55 118.86 3hri n ASP 226 Ca -0.02 0.15 -0.44 0.00 -0.53 0.00 0.00 54.79 53.95 3hri n ASP 226 Cb 0.73 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 3hri n ASP 226 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3hri n LYS 227 N -3.17 3.43 -0.02 -1.24 -0.00 -1.26 -4.62 118.16 111.28 3hri n LYS 227 Ca 0.00 -3.98 -0.02 0.00 -0.00 0.00 0.00 58.31 54.31 3hri n LYS 227 Cb 0.00 -2.92 -0.02 0.00 -0.00 0.00 0.00 35.03 32.09 3hri n LYS 227 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3hri n PHE 228 N 4.86 0.00 0.09 5.58 7.35 -1.26 -4.72 117.46 129.36 3hri n PHE 228 Ca 0.34 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 57.23 3hri n PHE 228 Cb 0.41 -0.15 0.75 0.00 0.35 0.00 0.00 39.48 40.85 3hri n PHE 228 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hri h ALA 229 N 0.04 2.15 -0.96 3.13 0.00 -1.94 -0.20 119.26 121.48 3hri h ALA 229 Ca -0.08 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hri h ALA 229 Cb 1.15 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3hri h ALA 229 CO -0.01 -0.59 0.60 -1.35 0.00 0.00 0.00 179.25 177.90 3hri h PRO 230 N 0.00 0.99 -0.65 0.00 0.11 -1.94 -3.19 132.00 127.31 3hri h PRO 230 Ca 0.19 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 3hri h PRO 230 Cb 0.96 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 3hri h PRO 230 CO -0.00 0.65 0.29 0.28 -0.21 0.00 0.00 178.00 179.01 3hri h VAL 231 N 1.02 1.22 -0.89 3.15 2.07 -1.36 -2.99 116.25 118.47 3hri h VAL 231 Ca 0.45 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3hri h VAL 231 Cb 0.33 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3hri h VAL 231 CO -0.22 0.27 0.59 0.00 0.02 0.00 0.00 177.57 178.22 3hri h VAL 233 N 1.20 0.34 0.13 0.00 2.07 -1.64 -3.22 116.25 115.12 3hri h VAL 233 Ca 0.33 -0.21 -0.30 0.00 0.82 0.00 0.00 66.70 67.34 3hri h VAL 233 Cb -0.13 1.15 0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3hri h VAL 233 CO -0.07 0.04 -1.26 0.40 0.02 0.00 0.00 177.57 176.69 3hri h ILE 234 N 0.00 1.31 -3.85 4.57 2.04 -1.71 -3.48 117.51 116.39 3hri h ILE 234 Ca -0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 3hri h ILE 234 Cb 0.15 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3hri h ILE 234 CO 0.00 0.77 0.00 0.52 0.00 0.00 0.00 178.15 179.44 3hri n VAL 235 N -3.75 0.00 -0.03 1.67 0.31 -1.22 -5.21 118.33 110.09 3hri n VAL 235 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3hri n VAL 235 Cb 1.00 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 3hri n VAL 235 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3hri n PRO 242 N -0.70 0.46 0.20 5.55 -0.02 -1.26 -5.16 135.00 134.06 3hri n PRO 242 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3hri n PRO 242 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 33.50 33.80 3hri n PRO 242 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hri h ARG 243 N 0.00 0.00 -0.50 -0.52 -0.00 -2.05 -2.90 114.38 108.41 3hri h ARG 243 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 3hri h ARG 243 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 3hri h ARG 243 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 179.97 179.12 3hri n GLU 244 N -2.86 2.26 -0.04 0.08 0.28 -1.26 -3.75 120.64 115.35 3hri n GLU 244 Ca 0.04 -1.55 0.02 0.00 -0.16 0.00 0.00 57.16 55.50 3hri n GLU 244 Cb 0.46 -1.47 -0.15 0.00 1.43 0.00 0.00 31.44 31.71 3hri n GLU 244 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hri n GLU 245 N 0.62 0.67 -0.11 3.44 -0.58 -1.10 -4.35 120.64 119.24 3hri n GLU 245 Ca 0.14 -0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 3hri n GLU 245 Cb 0.45 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 3hri n GLU 245 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hri h VAL 246 N 0.00 1.27 -0.30 2.62 2.07 -1.69 -2.87 116.25 117.36 3hri h VAL 246 Ca -0.23 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 3hri h VAL 246 Cb 1.53 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 3hri h VAL 246 CO 0.02 0.53 0.05 0.58 0.02 0.00 0.00 177.57 178.77 3hri h VAL 247 N 0.72 1.15 0.00 2.57 2.07 -1.78 0.14 116.25 121.12 3hri h VAL 247 Ca 0.05 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 3hri h VAL 247 Cb 1.03 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3hri h VAL 247 CO 0.10 0.20 -0.36 0.00 0.02 0.00 0.00 177.57 177.53 3hri h ALA 248 N 1.64 1.13 0.00 1.67 0.00 -1.73 -0.41 119.26 121.55 3hri h ALA 248 Ca 0.10 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 3hri h ALA 248 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hri h ALA 248 CO -0.00 0.45 -1.17 -0.56 0.00 0.00 0.00 179.25 177.97 3hri h GLN 249 N 0.00 0.00 0.03 0.00 -0.00 -0.98 -3.33 115.11 110.82 3hri h GLN 249 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.45 3hri h GLN 249 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.24 3hri h GLN 249 CO 0.05 0.68 -1.03 -0.07 -0.00 0.00 0.00 178.83 178.46 3hri h LEU 250 N 0.00 0.09 -1.70 0.06 3.38 -0.71 -3.37 115.31 113.06 3hri h LEU 250 Ca -0.11 -0.70 0.19 0.00 0.09 0.00 0.00 57.88 57.35 3hri h LEU 250 Cb 1.75 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.42 3hri h LEU 250 CO 0.09 1.42 0.54 0.00 0.09 0.00 0.00 178.44 180.58 3hri h ALA 251 N -0.27 2.33 0.00 1.53 0.00 -1.27 0.27 119.26 121.86 3hri h ALA 251 Ca -0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3hri h ALA 251 Cb 1.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3hri h ALA 251 CO -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 179.25 178.56 3hri h ALA 252 N 1.63 1.66 0.06 0.00 0.00 -1.72 -1.90 119.26 118.99 3hri h ALA 252 Ca 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hri h ALA 252 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hri h ALA 252 CO -0.10 0.04 -0.03 0.82 0.00 0.00 0.00 179.25 179.99 3hri h ILE 253 N 0.00 1.16 0.00 0.00 2.04 -0.62 -3.47 117.51 116.61 3hri h ILE 253 Ca -0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3hri h ILE 253 Cb 0.07 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3hri h ILE 253 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.95 3hri n GLY 254 N -0.24 0.00 3.20 5.37 0.00 -0.71 -5.07 105.19 107.74 3hri n GLY 254 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3hri n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hri s LEU 255 N 0.00 3.46 0.67 0.99 1.02 -1.23 -5.05 118.68 118.53 3hri s LEU 255 Ca 0.00 -0.98 -0.17 0.00 0.02 0.00 0.00 54.13 53.00 3hri s LEU 255 Cb 0.00 -1.69 0.01 0.00 0.02 0.00 0.00 46.19 44.52 3hri s LEU 255 CO 0.00 -0.17 1.24 -1.61 0.02 0.00 0.00 176.35 175.83 3hri s GLU 256 N 1.31 2.44 0.32 1.70 8.01 -1.26 -4.44 118.70 126.78 3hri s GLU 256 Ca -0.01 1.90 0.09 0.00 0.01 0.00 0.00 54.97 56.96 3hri s GLU 256 Cb -0.18 -1.85 0.92 0.00 -4.31 0.00 0.00 34.13 28.71 3hri s GLU 256 CO -0.03 -1.64 1.67 0.66 0.01 0.00 0.00 175.26 175.93 3hri h SER 257 N 0.25 0.38 -0.32 -0.19 4.64 -2.00 -2.14 113.55 114.17 3hri h SER 257 Ca -0.49 0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3hri h SER 257 Cb 1.31 0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 63.51 3hri h SER 257 CO 0.52 -0.09 -0.30 0.78 -0.87 0.00 0.00 176.83 176.87 3hri h ASN 258 N 0.34 -1.03 0.29 4.97 2.35 -2.01 -2.05 115.58 118.44 3hri h ASN 258 Ca 0.65 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.55 3hri h ASN 258 Cb 1.40 0.43 -0.00 0.00 0.05 0.00 0.00 38.32 40.20 3hri h ASN 258 CO -0.59 -0.18 -0.01 1.62 -1.65 0.00 0.00 177.43 176.62 3hri h VAL 259 N -0.14 0.07 -0.04 2.81 3.04 -1.74 -1.43 116.25 118.82 3hri h VAL 259 Ca 0.05 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 3hri h VAL 259 Cb 0.28 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.71 3hri h VAL 259 CO -0.37 0.01 -0.00 0.58 -1.01 0.00 0.00 177.57 176.78 3hri h VAL 260 N 0.00 1.25 -0.83 1.51 2.07 -1.33 -3.02 116.25 115.90 3hri h VAL 260 Ca -0.00 -0.77 0.11 0.00 0.82 0.00 0.00 66.70 66.86 3hri h VAL 260 Cb 0.16 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3hri h VAL 260 CO 0.00 0.21 0.46 0.44 0.02 0.00 0.00 177.57 178.70 3hri h ASP 261 N -0.22 0.62 -0.25 0.57 3.32 -0.78 0.22 116.42 119.89 3hri h ASP 261 Ca 0.01 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3hri h ASP 261 Cb 0.33 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 3hri h ASP 261 CO 0.00 0.32 -0.54 0.00 -1.72 0.00 0.00 179.24 177.31 3hri h ALA 262 N 1.49 -0.81 0.33 3.45 0.00 -1.35 -1.52 119.26 120.86 3hri h ALA 262 Ca 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3hri h ALA 262 Cb 0.47 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hri h ALA 262 CO -0.29 -1.06 -0.16 0.82 0.00 0.00 0.00 179.25 178.57 3hri h ILE 263 N -0.50 0.00 -0.77 0.00 2.04 -1.24 -2.84 117.51 114.21 3hri h ILE 263 Ca 0.06 -0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.10 3hri h ILE 263 Cb 0.64 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.58 3hri h ILE 263 CO -0.50 0.00 -0.08 0.41 0.00 0.00 0.00 178.15 177.98 3hri n THR 264 N -3.19 -0.32 1.01 -0.27 -1.04 0.68 -1.36 114.28 109.79 3hri n THR 264 Ca -0.05 1.72 0.11 0.00 -2.04 0.00 0.00 64.05 63.78 3hri n THR 264 Cb 0.17 -2.44 0.08 0.00 -1.82 0.00 0.00 70.33 66.32 3hri n THR 264 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hri n SER 265 N -5.15 0.79 0.05 8.00 3.41 -0.58 -3.64 113.62 116.50 3hri n SER 265 Ca 0.15 -0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 58.04 3hri n SER 265 Cb 0.49 0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.91 3hri n SER 265 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hri h THR 266 N 0.13 1.56 -0.91 6.66 1.35 -0.96 -3.32 112.91 117.41 3hri h THR 266 Ca 0.00 -3.29 0.04 0.00 -0.55 0.00 0.00 66.41 62.61 3hri h THR 266 Cb 0.51 2.78 -0.05 0.00 -1.73 0.00 0.00 68.15 69.65 3hri h THR 266 CO 0.00 0.89 0.60 -0.07 -0.25 0.00 0.00 175.52 176.69 3hri h LEU 267 N 0.00 0.99 -1.42 3.87 4.07 -1.57 -1.34 115.31 119.91 3hri h LEU 267 Ca -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3hri h LEU 267 Cb 1.82 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.33 3hri h LEU 267 CO 0.12 0.68 0.00 -1.54 -1.08 0.00 0.00 178.44 176.62 3hri n SER 268 N -4.44 2.09 -4.77 -0.43 3.41 -1.26 -0.49 113.62 107.73 3hri n SER 268 Ca 0.12 -1.88 -0.39 0.00 -0.26 0.00 0.00 58.87 56.46 3hri n SER 268 Cb 0.10 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3hri n SER 268 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hri s LEU 269 N -1.27 4.11 0.00 1.04 1.43 -0.51 -4.96 118.68 118.53 3hri s LEU 269 Ca 0.30 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 3hri s LEU 269 Cb 0.16 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3hri s LEU 269 CO 0.23 -0.96 0.27 0.29 0.23 0.00 0.00 176.35 176.41 3hri n LYS 270 N -0.18 2.08 -4.22 1.70 4.01 -1.26 -2.76 118.16 117.51 3hri n LYS 270 Ca 0.05 -0.27 -0.19 0.00 -0.51 0.00 0.00 58.31 57.39 3hri n LYS 270 Cb 0.45 -0.75 -0.12 0.00 -0.51 0.00 0.00 35.03 34.10 3hri n LYS 270 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3hri s THR 271 N -0.37 1.32 0.13 -0.18 -4.23 -1.26 -4.57 115.64 106.47 3hri s THR 271 Ca 0.00 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 3hri s THR 271 Cb 0.00 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 3hri s THR 271 CO 0.00 -0.29 1.58 0.40 -0.54 0.00 0.00 174.62 175.77 3hri h ILE 272 N 3.88 1.26 -0.71 2.99 2.04 -1.97 -2.33 117.51 122.67 3hri h ILE 272 Ca -0.41 -1.00 0.13 0.00 1.00 0.00 0.00 64.86 64.58 3hri h ILE 272 Cb 1.19 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 38.26 3hri h ILE 272 CO 0.45 0.34 0.25 0.44 0.00 0.00 0.00 178.15 179.63 3hri h ASP 273 N 0.57 0.19 -0.74 1.72 3.32 -1.98 0.46 116.42 119.97 3hri h ASP 273 Ca 0.12 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3hri h ASP 273 Cb 0.47 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3hri h ASP 273 CO 0.02 0.07 0.49 -0.08 -1.72 0.00 0.00 179.24 178.02 3hri h GLU 274 N 0.39 0.95 -0.25 3.56 4.81 -1.84 0.42 114.58 122.62 3hri h GLU 274 Ca 0.39 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 3hri h GLU 274 Cb 0.59 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3hri h GLU 274 CO -0.41 0.63 -0.43 0.82 -0.73 0.00 0.00 179.01 178.90 3hri h ILE 275 N 0.98 1.30 -0.26 2.32 1.08 -0.38 -3.27 117.51 119.27 3hri h ILE 275 Ca 0.28 -1.61 -0.12 0.00 -0.39 0.00 0.00 64.86 63.02 3hri h ILE 275 Cb -0.08 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 3hri h ILE 275 CO -0.06 0.51 -0.29 0.00 -0.69 0.00 0.00 178.15 177.62 3hri h ALA 276 N 1.02 0.39 0.00 1.87 0.00 0.12 -1.24 119.26 121.42 3hri h ALA 276 Ca 0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3hri h ALA 276 Cb 0.95 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3hri h ALA 276 CO 0.09 0.40 -0.15 0.94 0.00 0.00 0.00 179.25 180.53 3hri n GLN 277 N -4.29 1.36 0.05 0.00 7.27 0.14 -0.18 117.38 121.72 3hri n GLN 277 Ca -0.04 -0.51 0.00 0.00 0.07 0.00 0.00 57.00 56.52 3hri n GLN 277 Cb 0.47 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.54 3hri n GLN 277 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hri n ARG 278 N 2.17 0.00 -0.02 3.69 5.12 -1.18 -4.94 116.66 121.50 3hri n ARG 278 Ca 0.22 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.17 3hri n ARG 278 Cb 0.64 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.84 3hri n ARG 278 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3hri n ILE 279 N -2.62 0.22 0.00 0.55 2.08 -0.47 -5.05 119.36 114.06 3hri n ILE 279 Ca 0.00 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 62.96 3hri n ILE 279 Cb 0.00 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 3hri n ILE 279 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hri n GLY 280 N 1.91 3.43 0.08 7.39 0.00 0.75 -4.64 105.19 114.11 3hri n GLY 280 Ca -0.07 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.00 3hri n GLY 280 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hri h GLU 281 N 0.00 0.00 -0.16 1.61 -0.00 -1.93 -3.33 114.58 110.77 3hri h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3hri h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3hri h GLU 281 CO 0.00 0.89 0.00 -1.91 -0.00 0.00 0.00 179.01 177.99 3hri n GLU 282 N -3.47 1.88 -2.36 1.06 2.13 -1.26 -4.10 120.64 114.51 3hri n GLU 282 Ca -0.00 -1.31 -0.41 0.00 0.66 0.00 0.00 57.16 56.10 3hri n GLU 282 Cb 0.85 -1.43 -0.04 0.00 0.27 0.00 0.00 31.44 31.09 3hri n GLU 282 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3hri s HIS 283 N -1.80 3.42 0.16 4.31 2.46 -1.25 -4.79 115.29 117.80 3hri s HIS 283 Ca 0.34 1.54 -0.18 0.00 0.47 0.00 0.00 55.06 57.23 3hri s HIS 283 Cb 0.19 -3.42 0.10 0.00 -0.13 0.00 0.00 32.58 29.32 3hri s HIS 283 CO 0.29 -1.06 1.23 0.39 -2.47 0.00 0.00 174.74 173.12 3hri n GLU 284 N 1.59 -0.25 -0.12 2.88 1.02 -1.26 0.56 120.64 125.06 3hri n GLU 284 Ca 0.01 1.22 -0.05 0.00 -0.02 0.00 0.00 57.16 58.32 3hri n GLU 284 Cb 0.44 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 3hri n GLU 284 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hri h ALA 285 N 0.83 0.17 0.00 0.62 0.00 -1.91 0.20 119.26 119.17 3hri h ALA 285 Ca 0.22 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 3hri h ALA 285 Cb 0.42 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hri h ALA 285 CO -0.77 -0.52 -0.81 -0.39 0.00 0.00 0.00 179.25 176.76 3hri h VAL 286 N -0.08 0.75 -0.68 0.00 -1.51 -1.55 -2.88 116.25 110.30 3hri h VAL 286 Ca 0.20 -2.15 -0.04 0.00 -1.23 0.00 0.00 66.70 63.49 3hri h VAL 286 Cb 0.39 2.29 -0.03 0.00 -2.13 0.00 0.00 31.29 31.81 3hri h VAL 286 CO -0.47 0.43 0.28 0.03 -1.23 0.00 0.00 177.57 176.61 3hri h ARG 287 N 0.00 1.00 0.53 5.19 3.08 0.13 -2.42 114.38 121.88 3hri h ARG 287 Ca -0.05 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3hri h ARG 287 Cb 1.45 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 31.33 3hri h ARG 287 CO 0.06 0.81 -0.25 0.93 -1.07 0.00 0.00 179.97 180.44 3hri h GLU 288 N 0.98 -0.68 -1.01 0.04 5.08 -0.65 -2.52 114.58 115.81 3hri h GLU 288 Ca 0.23 0.05 0.26 0.00 -1.00 0.00 0.00 59.36 58.89 3hri h GLU 288 Cb 0.18 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.46 3hri h GLU 288 CO -0.02 -0.46 0.60 -0.07 -1.00 0.00 0.00 179.01 178.07 3hri h LEU 289 N -1.11 0.64 -0.88 1.33 3.38 -1.58 0.71 115.31 117.80 3hri h LEU 289 Ca -0.07 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3hri h LEU 289 Cb 0.54 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hri h LEU 289 CO 0.12 0.08 -0.40 0.03 0.09 0.00 0.00 178.44 178.36 3hri h ARG 290 N 0.54 0.33 -0.37 1.13 3.08 -1.46 -0.62 114.38 117.00 3hri h ARG 290 Ca 0.65 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 60.39 3hri h ARG 290 Cb 1.31 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3hri h ARG 290 CO -0.47 0.68 -0.39 0.22 -1.07 0.00 0.00 179.97 178.93 3hri h ASP 291 N 0.28 0.99 0.22 7.04 3.58 0.27 -2.62 116.42 126.17 3hri h ASP 291 Ca 0.03 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 3hri h ASP 291 Cb 0.82 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3hri h ASP 291 CO 0.07 1.26 -0.11 0.15 -2.88 0.00 0.00 179.24 177.72 3hri h PHE 292 N 0.73 -0.28 -0.62 0.28 3.04 0.66 -1.64 116.94 119.11 3hri h PHE 292 Ca 0.06 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.04 3hri h PHE 292 Cb 0.99 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.54 3hri h PHE 292 CO 0.07 -0.05 0.36 -0.84 -2.02 0.00 0.00 178.31 175.82 3hri h ILE 293 N -0.47 1.01 0.00 1.41 -0.00 -1.23 -0.47 117.51 117.75 3hri h ILE 293 Ca -0.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 64.86 64.58 3hri h ILE 293 Cb 0.36 0.27 -0.00 0.00 -0.00 0.00 0.00 36.82 37.44 3hri h ILE 293 CO 0.05 0.12 -0.10 0.74 -0.00 0.00 0.00 178.15 178.96 3hri h THR 294 N 0.68 1.07 0.03 0.16 2.02 -1.15 0.62 112.91 116.34 3hri h THR 294 Ca 0.27 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3hri h THR 294 Cb 0.11 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3hri h THR 294 CO -0.15 0.10 -0.37 1.56 0.37 0.00 0.00 175.52 177.04 3hri h GLN 295 N 0.00 0.06 -0.69 6.66 4.20 -0.80 -2.57 115.11 121.98 3hri h GLN 295 Ca -0.00 -0.11 0.11 0.00 0.06 0.00 0.00 58.65 58.71 3hri h GLN 295 Cb 0.18 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3hri h GLN 295 CO 0.01 1.05 0.46 0.82 -0.67 0.00 0.00 178.83 180.50 3hri h ILE 296 N -0.86 0.89 -0.42 2.54 1.08 -0.87 0.47 117.51 120.35 3hri h ILE 296 Ca -0.08 -0.18 -0.14 0.00 -0.39 0.00 0.00 64.86 64.07 3hri h ILE 296 Cb 1.19 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3hri h ILE 296 CO 0.00 0.09 -0.28 -0.33 -0.69 0.00 0.00 178.15 176.94 3hri h GLU 297 N 0.51 0.91 -0.32 2.37 5.08 -0.97 -0.16 114.58 122.01 3hri h GLU 297 Ca 0.32 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3hri h GLU 297 Cb 0.57 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3hri h GLU 297 CO -0.10 1.07 -0.30 0.00 -1.00 0.00 0.00 179.01 178.67 3hri h ALA 298 N 0.90 0.87 0.00 3.43 0.00 -0.46 -2.37 119.26 121.63 3hri h ALA 298 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hri h ALA 298 Cb 0.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hri h ALA 298 CO 0.07 0.63 0.00 -0.92 0.00 0.00 0.00 179.25 179.04 3hri h TYR 299 N 0.58 0.00 0.00 0.00 5.03 -0.16 -3.47 116.97 118.95 3hri h TYR 299 Ca 0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.38 3hri h TYR 299 Cb 0.81 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.09 3hri h TYR 299 CO 0.04 0.00 0.00 0.41 -1.32 0.00 0.00 178.16 177.29 3hri n GLY 300 N 0.32 1.14 0.90 1.82 0.00 -0.89 -5.00 105.19 103.49 3hri n GLY 300 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3hri n GLY 300 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hri n PHE 301 N -1.69 0.91 -0.26 1.61 3.72 -0.11 -4.79 117.46 116.86 3hri n PHE 301 Ca 0.00 -0.79 0.25 0.00 -0.05 0.00 0.00 57.45 56.85 3hri n PHE 301 Cb 0.00 -0.27 0.60 0.00 -0.94 0.00 0.00 39.48 38.87 3hri n PHE 301 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hri h GLY 302 N 1.99 0.62 1.26 1.37 0.00 -1.74 0.35 103.07 106.92 3hri h GLY 302 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3hri h GLY 302 CO 0.19 -0.04 0.00 1.22 0.00 0.00 0.00 176.54 177.91 3hri n ASP 303 N -4.44 0.00 -0.08 0.19 9.92 -1.26 -3.69 116.55 117.19 3hri n ASP 303 Ca 0.21 -0.55 -0.16 0.00 -0.53 0.00 0.00 54.79 53.76 3hri n ASP 303 Cb 0.88 -0.13 -0.13 0.00 -0.64 0.00 0.00 41.12 41.10 3hri n ASP 303 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 3hri n TRP 304 N -1.13 0.39 -2.85 1.24 7.02 0.12 -4.84 117.44 117.39 3hri n TRP 304 Ca 0.18 0.10 -0.36 0.00 -1.02 0.00 0.00 57.50 56.40 3hri n TRP 304 Cb 0.16 -1.06 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 3hri n TRP 304 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3hri s VAL 305 N -2.53 4.31 0.05 -0.99 -7.23 -1.20 -1.27 120.40 111.55 3hri s VAL 305 Ca -0.24 1.66 0.02 0.00 -1.81 0.00 0.00 61.98 61.60 3hri s VAL 305 Cb 0.08 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 3hri s VAL 305 CO 0.70 0.08 -0.07 -0.51 -0.31 0.00 0.00 175.10 174.99 3hri s ILE 306 N -1.69 0.52 -0.06 -0.62 2.07 -0.05 -4.89 121.20 116.48 3hri s ILE 306 Ca 0.51 -1.26 -0.14 0.00 -1.41 0.00 0.00 60.65 58.34 3hri s ILE 306 Cb -0.17 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3hri s ILE 306 CO 0.22 -0.51 0.38 0.12 -1.91 0.00 0.00 174.94 173.23 3hri s PHE 307 N -1.93 3.63 -0.27 3.50 5.36 -1.26 0.69 117.98 127.70 3hri s PHE 307 Ca -0.05 0.87 -0.00 0.00 -0.96 0.00 0.00 56.93 56.78 3hri s PHE 307 Cb -0.06 -2.31 0.16 0.00 -0.34 0.00 0.00 43.02 40.46 3hri s PHE 307 CO -0.01 0.50 0.44 0.34 -1.46 0.00 0.00 175.22 175.03 3hri s ASP 308 N -0.51 -0.11 0.00 6.13 -1.08 -0.06 -4.62 116.67 116.42 3hri s ASP 308 Ca 0.22 0.15 0.16 0.00 -0.52 0.00 0.00 52.55 52.56 3hri s ASP 308 Cb -0.15 1.35 0.85 0.00 -1.46 0.00 0.00 42.92 43.50 3hri s ASP 308 CO 0.10 -0.31 1.47 0.00 0.52 0.00 0.00 175.17 176.95 3hri n ALA 309 N 5.38 1.93 -0.35 3.66 0.00 -1.11 -2.27 120.51 127.73 3hri n ALA 309 Ca -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3hri n ALA 309 Cb 0.50 -1.27 0.30 0.00 0.00 0.00 0.00 19.45 18.99 3hri n ALA 309 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hri n SER 310 N -1.25 4.39 -4.56 0.00 3.41 0.35 -4.53 113.62 111.43 3hri n SER 310 Ca 0.08 -2.59 -0.43 0.00 -0.26 0.00 0.00 58.87 55.68 3hri n SER 310 Cb 0.12 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 3hri n SER 310 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hri s VAL 311 N -2.16 4.25 -0.07 -3.33 1.01 -0.96 -4.83 120.40 114.31 3hri s VAL 311 Ca 0.42 0.71 0.13 0.00 0.00 0.00 0.00 61.98 63.24 3hri s VAL 311 Cb 0.30 -4.59 0.26 0.00 0.00 0.00 0.00 36.38 32.34 3hri s VAL 311 CO 0.15 -1.13 1.12 1.33 0.00 0.00 0.00 175.10 176.57 3hri n VAL 312 N 6.49 0.85 -1.95 2.92 0.24 -1.26 -4.90 118.33 120.72 3hri n VAL 312 Ca 0.06 -1.39 -0.39 0.00 -2.04 0.00 0.00 64.34 60.59 3hri n VAL 312 Cb 0.48 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 3hri n VAL 312 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hri s ARG 313 N -1.27 2.63 -0.78 7.34 6.06 -1.26 -2.92 118.95 128.76 3hri s ARG 313 Ca 0.23 0.85 -0.02 0.00 -2.50 0.00 0.00 55.73 54.29 3hri s ARG 313 Cb 0.23 -4.40 0.00 0.00 0.06 0.00 0.00 34.95 30.85 3hri s ARG 313 CO -0.05 -2.71 0.66 0.41 -2.50 0.00 0.00 175.30 171.12 3hri n GLY 314 N 5.71 -0.01 0.10 8.12 0.00 -1.26 -4.92 105.19 112.93 3hri n GLY 314 Ca 0.23 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3hri n GLY 314 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hri n LEU 315 N -3.06 0.68 -0.10 0.99 0.00 -1.15 -2.01 117.00 112.35 3hri n LEU 315 Ca -0.09 0.59 -0.10 0.00 0.00 0.00 0.00 56.01 56.41 3hri n LEU 315 Cb 0.57 -0.41 -0.03 0.00 0.00 0.00 0.00 43.42 43.56 3hri n LEU 315 CO 0.38 -0.27 0.87 0.00 0.00 0.00 0.00 177.39 178.38 3hri h ALA 316 N 2.49 0.39 0.00 1.96 0.00 -1.89 -3.24 119.26 118.98 3hri h ALA 316 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hri h ALA 316 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hri h ALA 316 CO 0.00 0.01 0.00 0.98 0.00 0.00 0.00 179.25 180.24 3hri n TYR 317 N -4.72 0.42 -3.11 0.00 9.36 -0.85 -4.80 117.16 113.45 3hri n TYR 317 Ca -0.02 0.13 -0.19 0.00 3.32 0.00 0.00 57.90 61.14 3hri n TYR 317 Cb 0.15 -0.72 0.03 0.00 -0.63 0.00 0.00 39.34 38.17 3hri n TYR 317 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3hri s TYR 318 N -3.08 2.18 0.00 2.98 1.51 -1.16 -4.82 117.35 114.95 3hri s TYR 318 Ca 0.10 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 3hri s TYR 318 Cb 0.14 -2.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 3hri s TYR 318 CO 0.49 -0.69 0.00 2.41 -1.11 0.00 0.00 175.55 176.65 3hri n THR 319 N -1.98 0.00 0.00 -0.71 -1.04 0.32 -4.95 114.28 105.93 3hri n THR 319 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3hri n THR 319 Cb 0.61 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 3hri n THR 319 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hri n GLY 320 N 2.81 1.99 3.63 3.41 0.00 -1.16 -4.46 105.19 111.42 3hri n GLY 320 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3hri n GLY 320 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hri s ILE 321 N 2.70 4.07 0.33 -0.61 1.01 -1.26 -1.91 121.20 125.52 3hri s ILE 321 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.88 3hri s ILE 321 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 3hri s ILE 321 CO 0.00 -0.39 0.53 0.68 0.00 0.00 0.00 174.94 175.75 3hri s VAL 322 N 4.41 5.12 0.16 2.92 -7.23 -1.02 -1.92 120.40 122.84 3hri s VAL 322 Ca 0.59 -0.49 -0.16 0.00 -1.81 0.00 0.00 61.98 60.12 3hri s VAL 322 Cb -0.19 -3.85 0.03 0.00 0.56 0.00 0.00 36.38 32.92 3hri s VAL 322 CO 0.23 -0.52 0.44 0.72 -0.31 0.00 0.00 175.10 175.66 3hri s PHE 323 N -2.27 -0.10 -0.25 2.82 -0.12 0.71 -2.31 117.98 116.46 3hri s PHE 323 Ca 0.40 -0.23 -0.08 0.00 -0.05 0.00 0.00 56.93 56.96 3hri s PHE 323 Cb -0.10 0.28 0.11 0.00 -0.63 0.00 0.00 43.02 42.69 3hri s PHE 323 CO 0.35 -0.79 0.54 -2.00 -0.05 0.00 0.00 175.22 173.27 3hri s GLU 324 N -3.85 0.46 0.66 1.99 2.12 -1.07 -1.04 118.70 117.97 3hri s GLU 324 Ca 0.07 1.25 -0.15 0.00 0.36 0.00 0.00 54.97 56.50 3hri s GLU 324 Cb 0.01 0.62 -0.00 0.00 0.26 0.00 0.00 34.13 35.01 3hri s GLU 324 CO -0.07 -0.23 1.11 0.20 -0.54 0.00 0.00 175.26 175.73 3hri s GLY 325 N 2.77 2.18 -0.05 -1.50 0.00 0.18 -1.46 107.32 109.43 3hri s GLY 325 Ca -0.03 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 3hri s GLY 325 CO -0.16 0.92 0.84 -0.11 0.00 0.00 0.00 173.10 174.59 3hri s PHE 326 N -2.31 -0.46 0.08 1.90 -0.71 -0.40 -2.45 117.98 113.63 3hri s PHE 326 Ca 0.67 0.62 -0.27 0.00 -1.04 0.00 0.00 56.93 56.91 3hri s PHE 326 Cb -0.21 0.48 -0.06 0.00 -1.21 0.00 0.00 43.02 42.02 3hri s PHE 326 CO 0.41 -0.53 0.84 0.16 -1.34 0.00 0.00 175.22 174.77 3hri s ASP 327 N -1.69 7.34 0.08 1.98 1.47 -1.26 -1.54 116.67 123.05 3hri s ASP 327 Ca -0.02 1.60 0.25 0.00 1.18 0.00 0.00 52.55 55.56 3hri s ASP 327 Cb -0.01 -2.52 1.00 0.00 -0.34 0.00 0.00 42.92 41.06 3hri s ASP 327 CO -0.01 -0.01 1.79 0.54 0.68 0.00 0.00 175.17 178.17 3hri n ARG 328 N 2.73 0.09 -0.01 2.11 1.74 0.90 -2.04 116.66 122.18 3hri n ARG 328 Ca -0.01 0.14 0.14 0.00 -0.77 0.00 0.00 57.85 57.35 3hri n ARG 328 Cb 0.50 -1.62 0.65 0.00 -1.02 0.00 0.00 32.46 30.97 3hri n ARG 328 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hri n ASP 329 N -1.77 0.98 -1.87 0.55 9.92 -1.26 -4.93 116.55 118.16 3hri n ASP 329 Ca 0.06 -1.36 -0.17 0.00 -0.53 0.00 0.00 54.79 52.78 3hri n ASP 329 Cb 0.32 -0.01 -0.02 0.00 -0.64 0.00 0.00 41.12 40.77 3hri n ASP 329 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hri n GLY 330 N 1.10 0.04 0.10 0.44 0.00 -0.86 -4.91 105.19 101.09 3hri n GLY 330 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.07 3hri n GLY 330 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hri h ASN 331 N 0.00 0.00 -1.72 1.61 2.35 -1.92 -3.49 115.58 112.41 3hri h ASN 331 Ca -0.40 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.73 3hri h ASN 331 Cb 1.28 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.51 3hri h ASN 331 CO 0.50 0.54 -0.59 -0.36 -1.65 0.00 0.00 177.43 175.87 3hri s PHE 332 N -2.95 2.40 1.04 1.19 0.40 -1.26 -5.15 117.98 113.66 3hri s PHE 332 Ca -0.02 -0.73 -0.16 0.00 -0.60 0.00 0.00 56.93 55.42 3hri s PHE 332 Cb 0.09 -1.71 0.22 0.00 0.51 0.00 0.00 43.02 42.12 3hri s PHE 332 CO 0.80 0.38 1.17 -0.98 0.70 0.00 0.00 175.22 177.29 3hri s ARG 333 N -3.74 0.04 0.29 0.44 1.04 -1.26 -4.83 118.95 110.92 3hri s ARG 333 Ca 0.33 -0.02 -0.30 0.00 -1.04 0.00 0.00 55.73 54.70 3hri s ARG 333 Cb 0.09 -1.74 -0.11 0.00 -2.04 0.00 0.00 34.95 31.15 3hri s ARG 333 CO 0.16 -2.88 1.51 0.00 -0.04 0.00 0.00 175.30 174.05 3hri s ALA 334 N -3.31 3.67 -0.02 7.88 0.00 -1.26 -4.77 121.76 123.95 3hri s ALA 334 Ca 0.69 1.47 -0.17 0.00 0.00 0.00 0.00 51.96 53.96 3hri s ALA 334 Cb -0.10 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 3hri s ALA 334 CO 0.55 -0.89 0.71 -0.07 0.00 0.00 0.00 175.76 176.06 3hri h LEU 335 N 4.62 -0.50 -8.37 0.00 4.07 -1.85 -3.48 115.31 109.79 3hri h LEU 335 Ca -0.47 0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.33 3hri h LEU 335 Cb 1.22 0.13 -0.15 0.00 1.08 0.00 0.00 40.66 42.94 3hri h LEU 335 CO 0.76 -0.11 -0.67 0.00 -1.08 0.00 0.00 178.44 177.34 3hri s GLY 337 N -3.00 -0.28 0.19 0.00 0.00 -0.53 0.49 107.32 104.20 3hri s GLY 337 Ca 0.14 1.08 -0.10 0.00 0.00 0.00 0.00 44.72 45.84 3hri s GLY 337 CO -0.05 0.98 0.50 0.61 0.00 0.00 0.00 173.10 175.14 3hri n GLY 338 N 3.05 1.24 0.00 0.20 0.00 -0.21 -0.17 105.19 109.31 3hri n GLY 338 Ca -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3hri n GLY 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hri n GLY 339 N -0.35 -2.14 3.76 -0.02 0.00 0.49 -0.21 105.19 106.73 3hri n GLY 339 Ca -0.04 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 3hri n GLY 339 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hri s ARG 340 N -1.85 4.17 -0.42 1.61 3.52 -0.81 -1.60 118.95 123.58 3hri s ARG 340 Ca 0.00 0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 3hri s ARG 340 Cb 0.00 -3.36 0.16 0.00 -1.56 0.00 0.00 34.95 30.19 3hri s ARG 340 CO 0.00 0.36 0.32 1.52 -0.81 0.00 0.00 175.30 176.69 3hri s TYR 341 N -0.01 1.23 0.41 5.12 -0.85 0.91 -0.52 117.35 123.65 3hri s TYR 341 Ca 0.23 -2.26 0.08 0.00 -0.52 0.00 0.00 57.07 54.60 3hri s TYR 341 Cb -0.15 -1.09 0.86 0.00 0.38 0.00 0.00 41.96 41.96 3hri s TYR 341 CO 0.10 -0.81 2.03 -0.44 -1.52 0.00 0.00 175.55 174.91 3hri h ASP 342 N 5.96 0.40 0.00 -0.18 3.32 -1.84 -2.17 116.42 121.91 3hri h ASP 342 Ca 0.20 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hri h ASP 342 Cb 0.91 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3hri h ASP 342 CO 0.38 0.34 0.00 0.59 -1.72 0.00 0.00 179.24 178.83 3hri n ASN 343 N -4.44 0.00 0.34 6.45 3.02 -1.26 -3.89 115.26 115.47 3hri n ASN 343 Ca 0.02 -1.53 -0.18 0.00 -0.03 0.00 0.00 54.58 52.86 3hri n ASN 343 Cb 0.11 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.19 3hri n ASN 343 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hri h LEU 344 N 0.00 -1.08 -0.29 3.41 5.85 -1.68 -2.31 115.31 119.21 3hri h LEU 344 Ca 0.00 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 3hri h LEU 344 Cb 0.00 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hri h LEU 344 CO 0.00 -0.62 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.19 3hri h LEU 345 N -0.97 0.70 -1.39 2.25 3.38 -1.82 -2.96 115.31 114.50 3hri h LEU 345 Ca -0.07 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.53 3hri h LEU 345 Cb 0.81 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3hri h LEU 345 CO 0.04 1.00 0.48 0.71 0.09 0.00 0.00 178.44 180.75 3hri h THR 346 N 0.41 1.00 -0.57 0.22 1.35 -1.77 -0.97 112.91 112.57 3hri h THR 346 Ca 0.06 -0.25 0.11 0.00 -0.55 0.00 0.00 66.41 65.77 3hri h THR 346 Cb 0.77 0.21 -0.11 0.00 -1.73 0.00 0.00 68.15 67.28 3hri h THR 346 CO 0.06 0.13 -0.29 0.74 -0.25 0.00 0.00 175.52 175.91 3hri h THR 347 N 0.73 0.22 -0.08 6.82 2.02 -1.24 0.36 112.91 121.74 3hri h THR 347 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 3hri h THR 347 Cb 0.32 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3hri h THR 347 CO -0.11 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.56 3hri n TYR 348 N -5.43 0.18 0.00 3.16 4.01 -0.41 -4.81 117.16 113.85 3hri n TYR 348 Ca 0.05 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3hri n TYR 348 Cb 0.35 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3hri n TYR 348 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hri n GLY 349 N 0.40 1.09 3.73 2.72 0.00 0.11 -5.07 105.19 108.18 3hri n GLY 349 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3hri n GLY 349 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hri s SER 350 N -2.00 6.38 0.27 1.61 0.15 -0.93 -4.91 113.70 114.27 3hri s SER 350 Ca 0.00 2.90 0.10 0.00 0.70 0.00 0.00 55.95 59.66 3hri s SER 350 Cb 0.00 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 62.02 3hri s SER 350 CO 0.00 -0.95 1.60 1.55 1.20 0.00 0.00 173.24 176.64 3hri h PRO 351 N 5.94 0.00 -4.72 5.44 0.13 -1.92 -3.40 132.00 133.47 3hri h PRO 351 Ca -0.45 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 3hri h PRO 351 Cb 1.21 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.99 3hri h PRO 351 CO 0.88 0.64 -0.69 -0.08 -0.23 0.00 0.00 178.00 178.52 3hri s THR 352 N -3.57 2.84 0.17 1.56 -1.32 -1.26 -5.08 115.64 108.98 3hri s THR 352 Ca -0.01 -1.68 -0.33 0.00 -1.21 0.00 0.00 61.69 58.45 3hri s THR 352 Cb 0.13 -2.76 -0.15 0.00 -1.51 0.00 0.00 72.50 68.21 3hri s THR 352 CO 0.77 -0.28 1.34 0.00 -2.21 0.00 0.00 174.62 174.23 3hri n ALA 353 N 4.54 0.09 -3.68 11.08 0.00 -1.26 -4.80 120.51 126.47 3hri n ALA 353 Ca -0.09 0.46 -0.26 0.00 0.00 0.00 0.00 53.44 53.55 3hri n ALA 353 Cb 0.43 -2.16 -0.17 0.00 0.00 0.00 0.00 19.45 17.55 3hri n ALA 353 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hri s VAL 354 N 0.15 1.14 0.66 0.00 1.01 -1.25 -5.06 120.40 117.06 3hri s VAL 354 Ca 0.75 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 3hri s VAL 354 Cb -0.78 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3hri s VAL 354 CO 0.48 0.37 1.19 -0.81 0.00 0.00 0.00 175.10 176.33 3hri n PRO 355 N 4.34 0.92 -3.63 2.72 -0.04 -1.26 -4.63 135.00 133.41 3hri n PRO 355 Ca -0.18 0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3hri n PRO 355 Cb 0.51 -2.42 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 3hri n PRO 355 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hri s VAL 357 N 0.66 0.35 0.28 0.00 1.01 -1.10 -0.06 120.40 121.54 3hri s VAL 357 Ca -0.02 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3hri s VAL 357 Cb -0.05 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.04 3hri s VAL 357 CO -0.05 0.10 0.65 -0.83 0.00 0.00 0.00 175.10 174.98 3hri s GLY 358 N -0.08 0.16 0.04 4.51 0.00 -0.63 -1.45 107.32 109.88 3hri s GLY 358 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 3hri s GLY 358 CO -0.00 -0.28 0.10 -0.11 0.00 0.00 0.00 173.10 172.81 3hri s PHE 359 N -3.81 0.21 -0.08 1.90 -0.12 -0.56 -0.38 117.98 115.14 3hri s PHE 359 Ca 0.15 -0.54 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3hri s PHE 359 Cb -0.04 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 3hri s PHE 359 CO 0.08 -0.39 -0.07 0.20 -0.05 0.00 0.00 175.22 174.99 3hri s GLY 360 N -2.26 1.69 -0.48 1.99 0.00 0.77 -2.64 107.32 106.39 3hri s GLY 360 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3hri s GLY 360 CO -0.06 -0.60 0.26 -0.12 0.00 0.00 0.00 173.10 172.59 3hri s PHE 361 N -0.66 2.39 0.85 1.90 5.36 -0.01 -1.45 117.98 126.37 3hri s PHE 361 Ca 0.10 -2.69 -0.14 0.00 -0.96 0.00 0.00 56.93 53.25 3hri s PHE 361 Cb -0.11 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.43 3hri s PHE 361 CO 0.02 -0.76 0.67 0.41 -1.46 0.00 0.00 175.22 174.10 3hri n GLY 362 N 3.31 -1.32 0.66 13.12 0.00 -1.24 -1.61 105.19 118.12 3hri n GLY 362 Ca 0.09 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3hri n GLY 362 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hri n ASP 363 N -1.65 2.34 -0.01 1.61 5.75 -0.71 -4.49 116.55 119.39 3hri n ASP 363 Ca 0.10 -1.67 -0.01 0.00 -0.01 0.00 0.00 54.79 53.20 3hri n ASP 363 Cb 0.52 0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.86 3hri n ASP 363 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hri h VAL 365 N -0.11 1.05 -0.57 0.00 2.07 -1.92 -1.26 116.25 115.52 3hri h VAL 365 Ca 0.00 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3hri h VAL 365 Cb 0.06 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 3hri h VAL 365 CO 0.00 0.19 0.38 0.40 0.02 0.00 0.00 177.57 178.56 3hri h ILE 366 N 1.04 1.05 -0.02 4.57 1.08 -1.81 -1.57 117.51 121.86 3hri h ILE 366 Ca 0.40 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 3hri h ILE 366 Cb 0.23 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 3hri h ILE 366 CO -0.16 0.12 0.00 0.58 -0.69 0.00 0.00 178.15 178.00 3hri h VAL 367 N 0.64 1.17 -0.48 1.67 2.07 -1.42 -0.44 116.25 119.46 3hri h VAL 367 Ca 0.23 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3hri h VAL 367 Cb 0.13 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3hri h VAL 367 CO -0.06 0.14 0.03 -0.33 0.02 0.00 0.00 177.57 177.36 3hri h GLU 368 N -0.18 0.14 0.63 1.57 5.08 -1.13 0.26 114.58 120.95 3hri h GLU 368 Ca 0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hri h GLU 368 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hri h GLU 368 CO -0.00 0.09 -0.32 1.25 -1.00 0.00 0.00 179.01 179.03 3hri h LEU 369 N 0.15 -0.77 -1.15 1.33 5.85 -1.34 0.15 115.31 119.52 3hri h LEU 369 Ca 0.24 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.19 3hri h LEU 369 Cb 0.36 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 3hri h LEU 369 CO -0.38 -0.53 0.62 -0.07 -0.34 0.00 0.00 178.44 177.73 3hri h LEU 370 N -0.87 0.68 -0.36 2.25 3.38 -0.48 0.33 115.31 120.23 3hri h LEU 370 Ca -0.08 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3hri h LEU 370 Cb 0.68 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hri h LEU 370 CO 0.13 0.24 -0.18 -1.13 0.09 0.00 0.00 178.44 177.59 3hri h ASN 371 N 0.66 0.79 -0.23 -0.43 -1.24 -0.19 0.60 115.58 115.53 3hri h ASN 371 Ca 0.55 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 57.18 3hri h ASN 371 Cb 1.00 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.81 3hri h ASN 371 CO -0.32 1.02 0.09 -0.33 -1.29 0.00 0.00 177.43 176.60 3hri h GLU 372 N 0.56 0.20 -0.74 6.67 3.07 0.21 -2.76 114.58 121.79 3hri h GLU 372 Ca 0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3hri h GLU 372 Cb 0.73 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3hri h GLU 372 CO 0.05 0.13 0.00 0.36 -1.40 0.00 0.00 179.01 178.16 3hri n LYS 373 N -5.02 2.44 -3.79 2.33 -0.00 0.86 -4.92 118.16 110.06 3hri n LYS 373 Ca -0.02 -1.25 -0.28 0.00 -0.00 0.00 0.00 58.31 56.76 3hri n LYS 373 Cb 0.07 -1.71 0.05 0.00 -0.00 0.00 0.00 35.03 33.44 3hri n LYS 373 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hri n LYS 374 N 0.28 -6.48 -0.06 -1.58 5.02 -0.22 -5.51 118.16 109.61 3hri n LYS 374 Ca 0.11 0.69 0.05 0.00 -2.02 0.00 0.00 58.31 57.14 3hri n LYS 374 Cb 0.57 -5.64 0.07 0.00 -0.02 0.00 0.00 35.03 30.01 3hri n LYS 374 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hri n LEU 375 N -4.81 2.16 -4.68 -0.35 4.77 0.19 -4.96 117.00 109.33 3hri n LEU 375 Ca 0.02 -1.37 -0.42 0.00 -0.03 0.00 0.00 56.01 54.21 3hri n LEU 375 Cb 0.54 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3hri n LEU 375 CO 0.71 0.48 0.99 -0.76 -1.33 0.00 0.00 177.39 177.48 3hri s LEU 376 N -0.87 4.25 0.68 2.23 1.43 -1.23 -4.91 118.68 120.26 3hri s LEU 376 Ca 0.14 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 3hri s LEU 376 Cb 0.09 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 3hri s LEU 376 CO 0.12 -0.64 1.06 -2.16 0.23 0.00 0.00 176.35 174.97 3hri s PRO 377 N 2.59 3.06 -0.49 1.29 0.04 -1.26 -5.01 135.00 135.22 3hri s PRO 377 Ca 0.56 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 3hri s PRO 377 Cb -0.24 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.38 3hri s PRO 377 CO 0.20 -0.96 0.41 -1.21 0.04 0.00 0.00 177.00 175.48 3hri s GLU 378 N -5.18 2.91 0.07 4.56 0.41 -1.26 -5.03 118.70 115.18 3hri s GLU 378 Ca 0.57 -1.50 0.05 0.00 -0.41 0.00 0.00 54.97 53.68 3hri s GLU 378 Cb -0.12 -4.13 -0.04 0.00 -1.78 0.00 0.00 34.13 28.05 3hri s GLU 378 CO 0.54 -1.13 -0.07 -0.51 -0.49 0.00 0.00 175.26 173.61 3hri s LEU 379 N 1.59 3.18 0.00 1.80 1.43 -1.26 -5.13 118.68 120.29 3hri s LEU 379 Ca 0.04 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3hri s LEU 379 Cb -0.26 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 3hri s LEU 379 CO 0.05 0.21 0.03 -1.00 0.23 0.00 0.00 176.35 175.86 3hri s HIS 380 N -1.18 0.09 0.22 0.29 3.76 -1.26 -5.04 115.29 112.16 3hri s HIS 380 Ca 0.21 -0.18 -0.32 0.00 -0.15 0.00 0.00 55.06 54.63 3hri s HIS 380 Cb -0.11 -0.08 -0.12 0.00 1.11 0.00 0.00 32.58 33.38 3hri s HIS 380 CO 0.13 -0.13 1.70 -1.58 -0.85 0.00 0.00 174.74 174.02 3hri s HIS 381 N -0.77 2.89 -0.01 1.40 2.46 -1.26 -4.99 115.29 115.00 3hri s HIS 381 Ca -0.09 0.41 0.02 0.00 0.47 0.00 0.00 55.06 55.87 3hri s HIS 381 Cb -0.05 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 3hri s HIS 381 CO -0.00 -4.20 -0.07 0.08 -2.47 0.00 0.00 174.74 168.08 3hri s VAL 382 N 1.01 0.55 0.13 0.89 1.01 -1.26 -4.05 120.40 118.69 3hri s VAL 382 Ca 0.73 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3hri s VAL 382 Cb -0.49 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3hri s VAL 382 CO 0.34 0.17 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 3hri s VAL 383 N 0.07 1.16 -0.03 2.92 1.01 -1.25 -4.98 120.40 119.30 3hri s VAL 383 Ca -0.01 -1.88 -0.23 0.00 0.00 0.00 0.00 61.98 59.87 3hri s VAL 383 Cb -0.05 -1.65 -0.25 0.00 0.00 0.00 0.00 36.38 34.43 3hri s VAL 383 CO -0.00 -0.62 1.02 0.44 0.00 0.00 0.00 175.10 175.94 3hri h ASP 384 N 3.15 0.37 -3.97 3.32 3.32 -0.84 -3.33 116.42 118.43 3hri h ASP 384 Ca -0.37 -0.81 -0.37 0.00 0.02 0.00 0.00 57.03 55.49 3hri h ASP 384 Cb 1.19 -0.11 -0.29 0.00 0.22 0.00 0.00 39.33 40.34 3hri h ASP 384 CO 0.58 1.13 -0.77 -1.81 -1.72 0.00 0.00 179.24 176.65 3hri s ASP 385 N -6.58 0.93 -0.22 6.45 1.01 -0.90 -0.81 116.67 116.55 3hri s ASP 385 Ca -0.15 -0.14 -0.04 0.00 0.71 0.00 0.00 52.55 52.93 3hri s ASP 385 Cb 0.02 -0.12 -0.01 0.00 1.01 0.00 0.00 42.92 43.81 3hri s ASP 385 CO 0.78 0.09 -0.02 -0.22 0.21 0.00 0.00 175.17 176.01 3hri s LEU 386 N -0.14 3.03 -0.14 1.23 2.96 -0.44 -0.13 118.68 125.04 3hri s LEU 386 Ca 0.02 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 3hri s LEU 386 Cb -0.04 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3hri s LEU 386 CO -0.00 -0.00 0.68 -0.69 -1.32 0.00 0.00 176.35 175.01 3hri s VAL 387 N 1.37 5.02 -0.36 1.68 1.01 0.11 -0.98 120.40 128.25 3hri s VAL 387 Ca 0.04 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 3hri s VAL 387 Cb -0.14 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.32 3hri s VAL 387 CO -0.01 0.16 0.11 -0.63 0.00 0.00 0.00 175.10 174.73 3hri s ILE 388 N 1.45 2.98 0.33 2.22 1.01 -0.78 -2.24 121.20 126.17 3hri s ILE 388 Ca 0.33 -1.91 -0.29 0.00 0.00 0.00 0.00 60.65 58.78 3hri s ILE 388 Cb -0.17 -2.97 -0.12 0.00 0.01 0.00 0.00 42.46 39.22 3hri s ILE 388 CO 0.13 -0.49 1.51 -2.65 0.00 0.00 0.00 174.94 173.44 3hri n PRO 389 N 4.53 2.58 -0.32 2.79 -0.02 -1.26 -1.79 135.00 141.50 3hri n PRO 389 Ca -0.04 0.91 0.02 0.00 -2.02 0.00 0.00 63.50 62.36 3hri n PRO 389 Cb 0.42 -2.64 0.20 0.00 -0.02 0.00 0.00 33.50 31.45 3hri n PRO 389 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hri h PHE 390 N 3.78 1.12 -3.04 6.00 3.04 -1.80 -3.46 116.94 122.58 3hri h PHE 390 Ca -0.48 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.45 3hri h PHE 390 Cb 1.24 -0.37 0.01 0.00 2.56 0.00 0.00 35.95 39.38 3hri h PHE 390 CO 0.55 0.63 0.25 -0.40 -2.02 0.00 0.00 178.31 177.33 3hri n ASP 391 N -4.45 -2.24 0.29 0.41 5.68 -1.26 -4.90 116.55 110.08 3hri n ASP 391 Ca 0.13 -2.60 0.16 0.00 -0.50 0.00 0.00 54.79 51.97 3hri n ASP 391 Cb 0.12 3.74 0.88 0.00 -1.14 0.00 0.00 41.12 44.72 3hri n ASP 391 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hri h GLU 392 N 0.00 0.00 0.00 0.11 4.39 -1.98 -0.00 114.58 117.10 3hri h GLU 392 Ca -0.33 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 3hri h GLU 392 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3hri h GLU 392 CO 0.42 0.05 -0.08 1.79 -1.16 0.00 0.00 179.01 180.03 3hri h THR 393 N 0.00 0.21 -0.01 1.13 1.35 -1.99 -2.55 112.91 111.06 3hri h THR 393 Ca -0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3hri h THR 393 Cb 0.19 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3hri h THR 393 CO 0.01 0.08 -0.27 0.23 -0.25 0.00 0.00 175.52 175.32 3hri n MET 394 N -3.22 0.79 -0.18 4.72 2.81 -0.02 -4.52 117.12 117.49 3hri n MET 394 Ca 0.00 -0.46 -0.08 0.00 -1.81 0.00 0.00 57.70 55.36 3hri n MET 394 Cb 0.35 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 3hri n MET 394 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3hri h ARG 395 N 1.12 -0.11 -0.76 0.03 2.43 -1.40 -0.37 114.38 115.33 3hri h ARG 395 Ca 0.00 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 3hri h ARG 395 Cb 0.50 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3hri h ARG 395 CO 0.00 -0.07 0.51 -1.35 -1.51 0.00 0.00 179.97 177.55 3hri h PRO 396 N -0.11 0.39 -0.06 0.20 0.11 -1.82 0.28 132.00 130.98 3hri h PRO 396 Ca 0.08 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 3hri h PRO 396 Cb 0.31 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3hri h PRO 396 CO -0.49 0.25 -0.19 0.45 -0.21 0.00 0.00 178.00 177.82 3hri h HIS 397 N 0.40 0.31 -0.30 0.65 3.86 -1.70 -2.59 115.15 115.77 3hri h HIS 397 Ca 0.38 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 3hri h HIS 397 Cb 0.90 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.23 3hri h HIS 397 CO -0.00 0.80 -0.30 0.00 0.86 0.00 0.00 177.93 179.29 3hri h ALA 398 N 0.45 -0.20 -0.73 2.45 0.00 0.11 -1.11 119.26 120.23 3hri h ALA 398 Ca -0.00 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3hri h ALA 398 Cb 0.80 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 3hri h ALA 398 CO 0.04 -0.72 -0.53 -0.07 0.00 0.00 0.00 179.25 177.97 3hri h LEU 399 N -0.28 -1.87 -2.48 0.00 3.38 -0.65 0.16 115.31 113.56 3hri h LEU 399 Ca 0.15 0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.42 3hri h LEU 399 Cb 0.52 0.82 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3hri h LEU 399 CO -0.46 -0.31 0.06 0.77 0.09 0.00 0.00 178.44 178.59 3hri h SER 400 N -0.17 0.00 0.48 -0.43 4.64 -0.83 0.18 113.55 117.43 3hri h SER 400 Ca 0.16 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.24 3hri h SER 400 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3hri h SER 400 CO -0.79 0.00 -1.04 0.40 -0.87 0.00 0.00 176.83 174.53 3hri h ILE 401 N 0.00 1.45 -0.33 0.95 2.04 0.12 -2.84 117.51 118.91 3hri h ILE 401 Ca 0.02 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 63.18 3hri h ILE 401 Cb 0.14 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3hri h ILE 401 CO -0.00 0.80 0.21 0.25 0.00 0.00 0.00 178.15 179.40 3hri h LEU 402 N 0.15 0.38 0.31 1.44 5.85 0.10 -1.78 115.31 121.77 3hri h LEU 402 Ca -0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hri h LEU 402 Cb 1.71 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 3hri h LEU 402 CO 0.17 0.30 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.07 3hri h ARG 403 N 0.43 -0.75 -0.64 1.25 9.65 -1.42 -0.62 114.38 122.29 3hri h ARG 403 Ca 0.12 0.05 0.12 0.00 -1.10 0.00 0.00 59.98 59.17 3hri h ARG 403 Cb -0.02 0.17 -0.12 0.00 -1.39 0.00 0.00 29.97 28.61 3hri h ARG 403 CO -0.02 -0.50 -0.29 0.00 2.80 0.00 0.00 179.97 181.96 3hri h ARG 404 N -0.78 -0.11 0.48 0.20 3.08 -1.37 0.41 114.38 116.29 3hri h ARG 404 Ca -0.02 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hri h ARG 404 Cb 0.72 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3hri h ARG 404 CO -0.12 -0.07 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.40 3hri h LEU 405 N -0.11 -0.54 -0.54 3.04 3.38 -1.11 -0.13 115.31 119.30 3hri h LEU 405 Ca 0.27 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.33 3hri h LEU 405 Cb 0.54 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3hri h LEU 405 CO -0.70 -0.38 0.20 0.03 0.09 0.00 0.00 178.44 177.67 3hri h ARG 406 N -0.64 0.38 -0.95 1.13 3.08 -0.45 -0.94 114.38 115.98 3hri h ARG 406 Ca -0.07 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.06 3hri h ARG 406 Cb 0.49 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 3hri h ARG 406 CO 0.11 0.25 0.61 -0.44 -1.07 0.00 0.00 179.97 179.42 3hri h ASP 407 N 0.39 0.88 0.00 7.04 3.32 0.10 -0.29 116.42 127.86 3hri h ASP 407 Ca 0.27 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3hri h ASP 407 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hri h ASP 407 CO -0.26 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 3hri n ALA 408 N -2.38 2.20 0.00 3.45 0.00 -0.09 -4.83 120.51 118.87 3hri n ALA 408 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3hri n ALA 408 Cb 0.30 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3hri n ALA 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hri n GLY 409 N 0.21 1.90 3.79 0.00 0.00 -0.12 -5.07 105.19 105.91 3hri n GLY 409 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3hri n GLY 409 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hri s ARG 410 N -0.97 3.03 -0.29 1.61 0.52 -0.98 -4.98 118.95 116.89 3hri s ARG 410 Ca 0.00 1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 56.31 3hri s ARG 410 Cb 0.00 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 3hri s ARG 410 CO 0.00 -1.04 0.23 -1.54 0.02 0.00 0.00 175.30 172.97 3hri s SER 411 N -2.92 6.07 0.09 0.23 1.04 -1.26 -4.08 113.70 112.87 3hri s SER 411 Ca 0.63 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 57.03 3hri s SER 411 Cb -0.17 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 3hri s SER 411 CO 0.42 -0.12 -0.09 0.00 0.98 0.00 0.00 173.24 174.44 3hri s ALA 412 N 1.81 1.04 0.32 5.32 0.00 -1.26 -0.27 121.76 128.72 3hri s ALA 412 Ca 0.08 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3hri s ALA 412 Cb -0.16 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3hri s ALA 412 CO 0.11 -0.09 0.18 0.34 0.00 0.00 0.00 175.76 176.30 3hri s ASP 413 N -2.55 1.69 0.07 0.00 2.15 0.81 -4.95 116.67 113.89 3hri s ASP 413 Ca 0.06 -1.62 -0.12 0.00 0.43 0.00 0.00 52.55 51.30 3hri s ASP 413 Cb -0.01 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.07 3hri s ASP 413 CO -0.01 -0.93 0.27 -0.51 -0.17 0.00 0.00 175.17 173.82 3hri s ILE 414 N -3.53 0.10 -0.12 4.11 2.07 -1.26 0.05 121.20 122.62 3hri s ILE 414 Ca 0.35 -0.83 -0.29 0.00 -1.41 0.00 0.00 60.65 58.47 3hri s ILE 414 Cb 0.04 -1.08 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 3hri s ILE 414 CO 0.19 -0.46 1.29 -0.69 -1.91 0.00 0.00 174.94 173.36 3hri s VAL 415 N -3.09 4.18 -0.19 4.00 1.01 -0.95 -4.91 120.40 120.44 3hri s VAL 415 Ca -0.01 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.21 3hri s VAL 415 Cb 0.01 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 3hri s VAL 415 CO -0.07 -0.09 0.24 -0.26 0.00 0.00 0.00 175.10 174.92 3hri h PHE 416 N 8.12 0.00 -2.05 5.22 0.04 -1.99 -3.47 116.94 122.81 3hri h PHE 416 Ca -0.30 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.03 3hri h PHE 416 Cb 1.13 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.32 3hri h PHE 416 CO 0.79 1.29 -0.07 -0.51 -0.60 0.00 0.00 178.31 179.21 3hri s ASP 417 N -6.67 5.20 0.11 2.17 1.11 -1.26 -5.07 116.67 112.26 3hri s ASP 417 Ca -0.26 -0.24 -0.31 0.00 0.18 0.00 0.00 52.55 51.92 3hri s ASP 417 Cb 0.04 -0.57 -0.09 0.00 1.07 0.00 0.00 42.92 43.37 3hri s ASP 417 CO 0.56 -1.19 1.52 -1.59 1.18 0.00 0.00 175.17 175.65 3hri s LYS 418 N -4.72 4.25 0.10 8.23 0.00 -1.26 -5.04 119.74 121.29 3hri s LYS 418 Ca 0.59 2.24 0.05 0.00 0.00 0.00 0.00 55.97 58.85 3hri s LYS 418 Cb -0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 37.83 34.39 3hri s LYS 418 CO 0.38 -0.59 -0.13 0.15 0.00 0.00 0.00 175.35 175.17 3hri s LYS 419 N 1.58 0.92 0.14 1.78 -0.14 -1.26 -5.13 119.74 117.63 3hri s LYS 419 Ca 0.69 -1.15 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 3hri s LYS 419 Cb -0.40 -0.76 -0.06 0.00 -1.68 0.00 0.00 37.83 34.93 3hri s LYS 419 CO 0.31 0.14 0.99 -1.59 -0.76 0.00 0.00 175.35 174.44 3hri s LYS 420 N -2.50 4.69 0.33 1.68 -2.85 -1.26 -4.87 119.74 114.96 3hri s LYS 420 Ca 0.05 1.51 0.11 0.00 -1.00 0.00 0.00 55.97 56.65 3hri s LYS 420 Cb -0.05 -3.35 1.00 0.00 -2.06 0.00 0.00 37.83 33.37 3hri s LYS 420 CO 0.02 0.22 1.65 -0.39 0.10 0.00 0.00 175.35 176.94 3hri h VAL 421 N 3.88 0.26 -0.02 1.79 -1.51 -1.94 1.02 116.25 119.72 3hri h VAL 421 Ca -0.43 -0.08 -0.11 0.00 -1.23 0.00 0.00 66.70 64.84 3hri h VAL 421 Cb 1.21 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 3hri h VAL 421 CO 0.72 0.04 -0.51 -0.37 -1.23 0.00 0.00 177.57 176.22 3hri h VAL 422 N 0.25 1.37 -0.44 7.19 -1.51 -1.99 -0.44 116.25 120.67 3hri h VAL 422 Ca 0.69 -1.77 -0.07 0.00 -1.23 0.00 0.00 66.70 64.33 3hri h VAL 422 Cb 1.57 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 32.64 3hri h VAL 422 CO -0.65 0.51 -0.00 -0.61 -1.23 0.00 0.00 177.57 175.58 3hri h GLN 423 N 0.03 0.72 -0.39 5.19 4.15 0.64 -1.89 115.11 123.57 3hri h GLN 423 Ca -0.00 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 3hri h GLN 423 Cb 0.92 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 3hri h GLN 423 CO 0.07 0.74 -0.05 0.00 -1.93 0.00 0.00 178.83 177.66 3hri h ALA 424 N 1.32 0.53 -0.55 3.38 0.00 -0.42 -1.55 119.26 121.98 3hri h ALA 424 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3hri h ALA 424 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hri h ALA 424 CO 0.02 0.35 0.12 0.74 0.00 0.00 0.00 179.25 180.48 3hri h PHE 425 N 0.54 0.88 0.80 0.00 0.04 -0.95 -0.51 116.94 117.74 3hri h PHE 425 Ca 0.10 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3hri h PHE 425 Cb 0.54 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 3hri h PHE 425 CO 0.04 0.75 -0.47 -0.91 -0.60 0.00 0.00 178.31 177.12 3hri h ASN 426 N 0.82 -1.16 -0.86 2.17 4.21 -1.29 -2.35 115.58 117.10 3hri h ASN 426 Ca 0.18 0.06 0.23 0.00 1.21 0.00 0.00 56.30 57.97 3hri h ASN 426 Cb 0.32 0.33 -0.14 0.00 -1.12 0.00 0.00 38.32 37.71 3hri h ASN 426 CO 0.00 -0.74 0.16 0.22 -1.29 0.00 0.00 177.43 175.79 3hri h TYR 427 N -1.18 0.22 -0.31 1.19 3.20 -0.77 1.01 116.97 120.32 3hri h TYR 427 Ca -0.11 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.86 3hri h TYR 427 Cb 0.94 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 3hri h TYR 427 CO -0.08 -0.25 0.09 0.00 -1.64 0.00 0.00 178.16 176.28 3hri h ALA 428 N 1.79 0.35 -0.17 1.82 0.00 -0.93 -2.03 119.26 120.09 3hri h ALA 428 Ca 0.53 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 3hri h ALA 428 Cb 1.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hri h ALA 428 CO -0.69 -0.32 0.03 0.22 0.00 0.00 0.00 179.25 178.49 3hri h ASP 429 N 0.21 0.27 0.00 0.00 3.58 -0.16 0.21 116.42 120.54 3hri h ASP 429 Ca 0.14 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3hri h ASP 429 Cb 0.14 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.12 3hri h ASP 429 CO -0.17 0.46 0.00 0.54 -2.88 0.00 0.00 179.24 177.19 3hri n ARG 430 N -4.78 0.31 0.00 0.28 5.12 0.32 -3.23 116.66 114.68 3hri n ARG 430 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3hri n ARG 430 Cb 0.18 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3hri n ARG 430 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3hri n ILE 431 N -0.68 0.00 0.00 0.55 -6.64 -1.00 -5.00 119.36 106.59 3hri n ILE 431 Ca 0.03 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 3hri n ILE 431 Cb 0.01 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.21 3hri n ILE 431 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3hri n GLY 432 N 0.54 1.37 7.00 3.28 0.00 -1.16 -4.24 105.19 111.98 3hri n GLY 432 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3hri n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hri n ALA 433 N 0.00 0.00 0.00 4.61 0.00 0.75 -3.92 120.51 121.95 3hri n ALA 433 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hri n ALA 433 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hri n ALA 433 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hri n LEU 434 N 0.00 0.00 -3.73 0.00 4.32 -1.25 -3.90 117.00 112.44 3hri n LEU 434 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 3hri n LEU 434 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 3hri n LEU 434 CO 0.00 0.00 -0.12 -0.60 -1.22 0.00 0.00 177.39 175.45 3hri s ARG 435 N 0.00 0.20 -0.19 3.23 3.52 0.01 -2.18 118.95 123.55 3hri s ARG 435 Ca 0.00 0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 56.05 3hri s ARG 435 Cb 0.00 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 3hri s ARG 435 CO 0.00 -0.16 0.06 0.00 -0.81 0.00 0.00 175.30 174.38 3hri s ALA 436 N 1.25 3.35 -0.58 6.12 0.00 -0.13 -1.33 121.76 130.44 3hri s ALA 436 Ca -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 3hri s ALA 436 Cb -0.10 -1.91 0.15 0.00 0.00 0.00 0.00 23.12 21.25 3hri s ALA 436 CO -0.08 0.11 0.40 0.08 0.00 0.00 0.00 175.76 176.26 3hri s VAL 437 N 0.51 3.72 0.21 0.00 1.01 -0.15 -0.80 120.40 124.90 3hri s VAL 437 Ca 0.03 -2.68 -0.30 0.00 0.00 0.00 0.00 61.98 59.03 3hri s VAL 437 Cb -0.13 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 3hri s VAL 437 CO 0.01 -0.84 1.20 -0.22 0.00 0.00 0.00 175.10 175.25 3hri s LEU 438 N 0.29 4.46 -0.48 3.92 0.20 0.15 -1.86 118.68 125.36 3hri s LEU 438 Ca 0.14 2.29 0.03 0.00 0.69 0.00 0.00 54.13 57.28 3hri s LEU 438 Cb -0.21 -3.61 0.13 0.00 -0.43 0.00 0.00 46.19 42.07 3hri s LEU 438 CO -0.04 -0.36 0.24 -0.69 -0.29 0.00 0.00 176.35 175.20 3hri s VAL 439 N -0.27 2.11 0.23 1.68 1.01 -0.74 -1.35 120.40 123.06 3hri s VAL 439 Ca 0.52 -2.95 0.10 0.00 0.00 0.00 0.00 61.98 59.64 3hri s VAL 439 Cb -0.33 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3hri s VAL 439 CO 0.39 -0.82 -0.08 0.00 0.00 0.00 0.00 175.10 174.59 3hri s ALA 440 N 0.05 2.99 0.02 5.51 0.00 -1.26 -2.30 121.76 126.77 3hri s ALA 440 Ca 0.17 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.28 3hri s ALA 440 Cb -0.25 -0.67 -0.18 0.00 0.00 0.00 0.00 23.12 22.02 3hri s ALA 440 CO -0.01 0.36 1.43 -1.00 0.00 0.00 0.00 175.76 176.54 3hri h PRO 441 N 2.44 -0.05 -0.83 0.00 0.13 -1.97 0.38 132.00 132.09 3hri h PRO 441 Ca -0.45 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.82 3hri h PRO 441 Cb 1.23 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 3hri h PRO 441 CO 0.57 0.25 -0.34 -0.44 -0.23 0.00 0.00 178.00 177.81 3hri h ASP 442 N -0.35 -1.25 -0.07 1.44 5.19 -1.97 0.31 116.42 119.71 3hri h ASP 442 Ca -0.01 0.27 -0.05 0.00 -0.62 0.00 0.00 57.03 56.62 3hri h ASP 442 Cb 0.32 0.66 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3hri h ASP 442 CO 0.01 -0.29 -0.17 -0.33 -3.12 0.00 0.00 179.24 175.34 3hri h GLU 443 N -0.06 0.25 -0.41 3.56 3.07 -1.79 -3.21 114.58 115.98 3hri h GLU 443 Ca 0.32 -0.16 0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3hri h GLU 443 Cb 0.59 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 3hri h GLU 443 CO -0.86 0.76 0.17 2.35 -1.40 0.00 0.00 179.01 180.03 3hri h TRP 444 N -0.24 0.31 -0.93 4.33 2.91 0.61 0.17 115.95 123.11 3hri h TRP 444 Ca 0.00 0.02 0.17 0.00 1.13 0.00 0.00 58.89 60.21 3hri h TRP 444 Cb 0.76 -0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 29.25 3hri h TRP 444 CO 0.12 0.14 0.60 0.00 -1.03 0.00 0.00 178.44 178.26 3hri h ALA 445 N 1.25 1.88 -0.21 2.65 0.00 -0.49 0.20 119.26 124.53 3hri h ALA 445 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hri h ALA 445 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hri h ALA 445 CO -0.17 -0.17 0.00 2.89 0.00 0.00 0.00 179.25 181.80 3hri n ARG 446 N -4.60 1.74 -3.10 0.00 0.00 -0.33 -4.89 116.66 105.47 3hri n ARG 446 Ca 0.20 -0.87 -0.14 0.00 -0.00 0.00 0.00 57.85 57.04 3hri n ARG 446 Cb 0.56 -1.35 0.05 0.00 -0.00 0.00 0.00 32.46 31.72 3hri n ARG 446 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hri n GLY 447 N 0.65 -0.01 3.08 2.89 0.00 0.69 -5.04 105.19 107.45 3hri n GLY 447 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3hri n GLY 447 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hri s GLU 448 N -5.52 0.55 0.09 1.61 1.03 0.46 -4.30 118.70 112.63 3hri s GLU 448 Ca 0.25 -0.94 0.02 0.00 0.03 0.00 0.00 54.97 54.33 3hri s GLU 448 Cb -0.11 0.20 -0.04 0.00 -0.80 0.00 0.00 34.13 33.38 3hri s GLU 448 CO 0.46 -0.12 -0.06 0.14 -1.33 0.00 0.00 175.26 174.35 3hri s VAL 449 N -3.02 0.64 -0.17 1.83 -7.23 -0.24 -2.04 120.40 110.17 3hri s VAL 449 Ca -0.01 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 3hri s VAL 449 Cb 0.01 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3hri s VAL 449 CO -0.07 -0.81 0.11 -0.60 -0.31 0.00 0.00 175.10 173.42 3hri s ARG 450 N -3.52 3.93 -0.15 4.82 3.52 -0.46 -1.50 118.95 125.58 3hri s ARG 450 Ca 0.08 -0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 3hri s ARG 450 Cb 0.03 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3hri s ARG 450 CO -0.04 0.41 -0.04 0.08 -0.81 0.00 0.00 175.30 174.89 3hri s VAL 451 N 0.03 0.98 -0.21 7.11 1.01 -0.69 0.31 120.40 128.94 3hri s VAL 451 Ca 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3hri s VAL 451 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3hri s VAL 451 CO -0.00 0.13 -0.11 -0.54 0.00 0.00 0.00 175.10 174.59 3hri s LYS 452 N 1.69 3.10 -0.13 2.72 1.02 0.02 -3.71 119.74 124.44 3hri s LYS 452 Ca 0.01 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 54.99 3hri s LYS 452 Cb -0.15 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3hri s LYS 452 CO -0.08 -0.25 0.66 -1.64 -0.92 0.00 0.00 175.35 173.12 3hri s MET 453 N 1.37 4.32 -0.38 1.68 -1.94 -1.26 -0.96 119.30 122.13 3hri s MET 453 Ca 0.04 0.73 -0.04 0.00 -1.71 0.00 0.00 55.69 54.72 3hri s MET 453 Cb -0.14 -3.51 0.04 0.00 2.01 0.00 0.00 34.83 33.23 3hri s MET 453 CO -0.07 -0.08 2.78 1.28 -0.01 0.00 0.00 175.02 178.92 3hri n LEU 454 N 4.40 6.32 -0.08 -0.03 4.32 -0.93 -5.02 117.00 125.99 3hri n LEU 454 Ca -0.01 -3.86 -0.15 0.00 -0.02 0.00 0.00 56.01 51.96 3hri n LEU 454 Cb 0.50 -1.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.03 3hri n LEU 454 CO 0.45 1.66 0.43 0.03 -1.22 0.00 0.00 177.39 178.74 3hri h ARG 455 N 2.81 0.88 -7.30 3.23 3.08 -1.94 -3.46 114.38 111.69 3hri h ARG 455 Ca 0.35 -0.56 -0.50 0.00 0.07 0.00 0.00 59.98 59.34 3hri h ARG 455 Cb 0.84 0.07 0.06 0.00 0.08 0.00 0.00 29.97 31.02 3hri h ARG 455 CO 0.78 1.20 0.36 0.20 -1.07 0.00 0.00 179.97 181.44 3hri s GLY 468 N -3.96 1.63 -0.30 0.04 0.00 -1.26 -5.16 107.32 98.31 3hri s GLY 468 Ca -0.11 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.26 3hri s GLY 468 CO 0.89 0.04 0.82 -0.26 0.00 0.00 0.00 173.10 174.59 3hri s ILE 469 N -3.13 -0.75 0.24 0.90 -5.25 -1.24 -4.90 121.20 107.08 3hri s ILE 469 Ca 0.54 0.00 -0.30 0.00 -0.99 0.00 0.00 60.65 59.90 3hri s ILE 469 Cb -0.11 -1.00 -0.09 0.00 2.95 0.00 0.00 42.46 44.21 3hri s ILE 469 CO 0.52 0.00 1.07 -0.69 -1.79 0.00 0.00 174.94 174.04 3hri s VAL 470 N 2.68 3.71 -0.01 8.37 1.01 -1.26 -1.70 120.40 133.20 3hri s VAL 470 Ca -0.04 1.65 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 3hri s VAL 470 Cb -0.09 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.27 3hri s VAL 470 CO -0.18 0.36 0.37 -0.76 0.00 0.00 0.00 175.10 174.89 3hri s LEU 471 N -1.09 0.61 0.04 3.92 1.43 -0.56 -4.97 118.68 118.05 3hri s LEU 471 Ca 0.45 0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.43 3hri s LEU 471 Cb -0.30 1.49 -0.17 0.00 0.03 0.00 0.00 46.19 47.24 3hri s LEU 471 CO 0.38 -0.51 1.45 -0.65 0.23 0.00 0.00 176.35 177.25 3hri h PRO 472 N 3.61 -0.31 0.00 1.29 0.11 -1.88 -0.61 132.00 134.21 3hri h PRO 472 Ca -0.30 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hri h PRO 472 Cb 1.18 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hri h PRO 472 CO 0.41 -0.06 -0.84 0.28 -0.21 0.00 0.00 178.00 177.58 3hri n VAL 473 N -5.14 0.00 0.00 3.15 0.31 -1.26 -4.69 118.33 110.70 3hri n VAL 473 Ca -0.09 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3hri n VAL 473 Cb 0.21 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 3hri n VAL 473 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98