#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 3.07 -0.37 1.12 -7.23 -1.26 -4.91 120.40 110.82 3hri s VAL 48 Ca 0.00 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 3hri s VAL 48 Cb 0.00 -2.80 -0.08 0.00 0.56 0.00 0.00 36.38 34.06 3hri s VAL 48 CO 0.00 -0.46 2.30 -1.84 -0.31 0.00 0.00 175.10 174.79 3hri n GLU 49 N -3.67 1.36 0.12 4.82 0.28 -1.26 -4.80 120.64 117.49 3hri n GLU 49 Ca 0.09 0.29 0.13 0.00 -0.16 0.00 0.00 57.16 57.51 3hri n GLU 49 Cb 0.53 -2.98 0.42 0.00 1.43 0.00 0.00 31.44 30.85 3hri n GLU 49 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3hri h THR 50 N 7.34 0.00 -3.75 3.84 1.35 -2.09 -3.45 112.91 116.15 3hri h THR 50 Ca -0.31 -0.44 -0.49 0.00 -0.55 0.00 0.00 66.41 64.62 3hri h THR 50 Cb 1.27 1.37 0.02 0.00 -1.73 0.00 0.00 68.15 69.08 3hri h THR 50 CO 1.05 0.00 0.16 -1.61 -0.25 0.00 0.00 175.52 174.87 3hri s GLU 51 N -3.18 3.71 0.76 4.72 2.02 -1.26 -5.08 118.70 120.39 3hri s GLU 51 Ca 0.09 0.45 -0.11 0.00 0.02 0.00 0.00 54.97 55.41 3hri s GLU 51 Cb 0.11 -2.35 0.05 0.00 0.10 0.00 0.00 34.13 32.04 3hri s GLU 51 CO 0.55 -0.14 1.10 -1.25 0.02 0.00 0.00 175.26 175.53 3hri s PRO 52 N -4.21 2.39 -0.13 0.39 0.04 -1.26 -4.95 135.00 127.26 3hri s PRO 52 Ca 0.51 0.60 -0.41 0.00 0.04 0.00 0.00 61.00 61.73 3hri s PRO 52 Cb -0.10 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.29 3hri s PRO 52 CO 0.37 -1.40 1.31 0.28 0.04 0.00 0.00 177.00 177.60 3hri n VAL 53 N -3.28 0.03 -1.54 -0.36 0.31 -1.26 -4.70 118.33 107.53 3hri n VAL 53 Ca 0.07 -0.01 -0.60 0.00 -0.01 0.00 0.00 64.34 63.79 3hri n VAL 53 Cb 0.56 -0.38 -0.08 0.00 -0.91 0.00 0.00 33.84 33.03 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 2.64 0.00 -0.42 5.55 -0.06 -1.26 -0.57 117.38 123.26 3hri n GLN 54 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 3hri n GLN 54 Cb 0.07 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 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 2.16 1.42 3.74 1.69 0.00 -1.26 -4.95 105.19 107.99 3hri n GLY 55 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.83 3.43 0.51 0.00 0.52 -1.26 -4.73 118.95 114.59 3hri s ARG 57 Ca 0.29 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 3hri s ARG 57 Cb -0.10 -2.87 -0.07 0.00 0.52 0.00 0.00 34.95 32.42 3hri s ARG 57 CO 0.21 0.40 1.01 -0.51 0.02 0.00 0.00 175.30 176.43 3hri s ASP 58 N -0.05 6.38 -0.61 0.23 1.01 -1.26 -5.04 116.67 117.33 3hri s ASP 58 Ca 0.02 1.75 0.05 0.00 0.71 0.00 0.00 52.55 55.08 3hri s ASP 58 Cb -0.13 -2.53 0.20 0.00 1.01 0.00 0.00 42.92 41.46 3hri s ASP 58 CO 0.02 -0.75 0.53 0.49 0.21 0.00 0.00 175.17 175.67 3hri n PHE 59 N -1.38 2.30 -0.96 4.23 3.01 -1.26 -4.96 117.46 118.43 3hri n PHE 59 Ca 0.08 -4.03 -0.28 0.00 1.01 0.00 0.00 57.45 54.22 3hri n PHE 59 Cb 0.53 -0.43 0.20 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.42 -0.08 0.21 -1.08 0.04 -1.26 -4.37 135.00 127.05 3hri s PRO 60 Ca 0.31 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.86 3hri s PRO 60 Cb 0.04 -1.67 0.27 0.00 0.04 0.00 0.00 34.50 33.17 3hri s PRO 60 CO -0.13 -3.10 1.78 -1.35 0.04 0.00 0.00 177.00 174.23 3hri h PRO 61 N -2.16 0.53 -0.57 0.56 0.11 -1.99 0.31 132.00 128.79 3hri h PRO 61 Ca -0.57 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.62 3hri h PRO 61 Cb 1.33 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 3hri h PRO 61 CO 0.55 0.35 -0.18 1.05 -0.21 0.00 0.00 178.00 179.56 3hri h GLU 62 N 0.54 -0.04 0.07 1.05 4.11 -1.98 -2.31 114.58 116.02 3hri h GLU 62 Ca 0.31 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.50 3hri h GLU 62 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hri h GLU 62 CO -0.24 -0.03 -1.12 1.15 0.07 0.00 0.00 179.01 178.85 3hri h THR 63 N -0.04 1.59 0.00 -1.06 2.02 -1.37 -3.24 112.91 110.81 3hri h THR 63 Ca 0.27 -3.18 -0.08 0.00 0.77 0.00 0.00 66.41 64.20 3hri h THR 63 Cb 0.46 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 3hri h THR 63 CO -0.61 0.92 -0.37 -0.03 0.37 0.00 0.00 175.52 175.81 3hri h MET 64 N 0.05 0.00 -0.90 6.66 -1.53 -0.37 -2.55 114.93 116.30 3hri h MET 64 Ca -0.08 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 3hri h MET 64 Cb 1.85 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.86 3hri h MET 64 CO 0.17 0.37 0.48 -0.09 0.14 0.00 0.00 176.91 177.97 3hri h ARG 65 N 0.00 1.26 -0.12 0.39 2.43 -1.44 0.11 114.38 117.01 3hri h ARG 65 Ca -0.00 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 58.85 3hri h ARG 65 Cb 0.76 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3hri h ARG 65 CO 0.05 0.93 -0.62 1.25 -1.51 0.00 0.00 179.97 180.06 3hri h LEU 66 N 1.26 0.48 -0.22 3.80 5.85 -1.61 -1.55 115.31 123.32 3hri h LEU 66 Ca 0.31 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3hri h LEU 66 Cb 0.05 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3hri h LEU 66 CO -0.05 0.98 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.91 3hri h ARG 67 N 0.31 0.41 0.00 1.25 2.43 -1.20 -2.47 114.38 115.11 3hri h ARG 67 Ca -0.01 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hri h ARG 67 Cb 1.16 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3hri h ARG 67 CO 0.11 0.63 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.91 3hri h LYS 68 N 0.15 0.00 -0.12 0.20 3.64 -0.72 -1.25 116.57 118.47 3hri h LYS 68 Ca 0.06 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 3hri h LYS 68 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3hri h LYS 68 CO 0.02 0.07 -0.75 -0.92 -2.27 0.00 0.00 179.45 175.60 3hri h TYR 69 N 0.00 0.99 -0.05 1.91 3.20 -1.14 -1.90 116.97 119.97 3hri h TYR 69 Ca -0.00 -0.45 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 3hri h TYR 69 Cb 0.13 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 3hri h TYR 69 CO 0.00 1.28 -0.03 1.25 -1.64 0.00 0.00 178.16 179.02 3hri h LEU 70 N 0.43 0.12 -2.04 2.82 5.85 -1.11 -3.07 115.31 118.31 3hri h LEU 70 Ca -0.06 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3hri h LEU 70 Cb 1.39 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 3hri h LEU 70 CO 0.15 0.52 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.44 3hri h PHE 71 N -0.28 0.00 -0.06 1.25 -1.00 -1.30 -0.76 116.94 114.80 3hri h PHE 71 Ca 0.01 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.65 3hri h PHE 71 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 3hri h PHE 71 CO 0.07 0.08 -0.59 -0.44 -1.61 0.00 0.00 178.31 175.82 3hri h ASP 72 N 0.00 0.20 -0.01 2.17 5.19 -1.27 0.54 116.42 123.25 3hri h ASP 72 Ca -0.00 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 56.16 3hri h ASP 72 Cb 0.30 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3hri h ASP 72 CO 0.01 0.75 -0.41 0.58 -3.12 0.00 0.00 179.24 177.05 3hri h VAL 73 N 0.14 1.30 0.12 -1.35 2.07 -1.07 -0.14 116.25 117.32 3hri h VAL 73 Ca -0.00 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3hri h VAL 73 Cb 1.07 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3hri h VAL 73 CO 0.09 0.49 -0.06 -0.26 0.02 0.00 0.00 177.57 177.85 3hri h PHE 74 N 0.43 -0.16 -0.36 1.57 0.04 -0.99 -1.68 116.94 115.80 3hri h PHE 74 Ca 0.04 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hri h PHE 74 Cb 0.90 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 3hri h PHE 74 CO 0.03 0.15 0.24 0.45 -0.60 0.00 0.00 178.31 178.58 3hri h HIS 75 N -0.47 0.45 0.00 -0.55 3.86 -0.94 -0.60 115.15 116.91 3hri h HIS 75 Ca -0.02 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3hri h HIS 75 Cb 0.38 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3hri h HIS 75 CO 0.02 0.29 -0.43 1.03 0.86 0.00 0.00 177.93 179.70 3hri h SER 76 N 0.49 0.00 0.13 2.45 0.87 -1.04 -1.32 113.55 115.13 3hri h SER 76 Ca 0.13 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.50 3hri h SER 76 Cb -0.05 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3hri h SER 76 CO -0.03 0.43 -0.85 0.74 -0.53 0.00 0.00 176.83 176.59 3hri h THR 77 N 0.00 1.47 -0.68 2.23 2.02 -1.14 -2.95 112.91 113.85 3hri h THR 77 Ca -0.00 -2.47 0.14 0.00 0.77 0.00 0.00 66.41 64.85 3hri h THR 77 Cb 0.78 3.06 -0.10 0.00 -1.74 0.00 0.00 68.15 70.16 3hri h THR 77 CO 0.06 0.71 0.18 0.00 0.37 0.00 0.00 175.52 176.83 3hri h ALA 78 N 0.14 0.87 -0.13 6.16 0.00 -0.88 -1.75 119.26 123.67 3hri h ALA 78 Ca -0.14 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hri h ALA 78 Cb 1.64 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3hri h ALA 78 CO 0.16 -0.30 0.01 -0.09 0.00 0.00 0.00 179.25 179.04 3hri h ARG 79 N 0.30 0.23 0.00 0.00 2.43 -1.32 0.65 114.38 116.66 3hri h ARG 79 Ca 0.37 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3hri h ARG 79 Cb 0.59 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3hri h ARG 79 CO -0.45 0.44 -0.34 0.87 -1.51 0.00 0.00 179.97 178.98 3hri h LYS 80 N -0.01 0.00 -0.04 0.20 1.57 -1.31 -0.44 116.57 116.54 3hri h LYS 80 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hri h LYS 80 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hri h LYS 80 CO 0.00 0.34 0.00 1.19 -0.57 0.00 0.00 179.45 180.42 3hri n PHE 81 N -4.05 0.04 -2.25 -1.35 0.99 -0.68 -4.94 117.46 105.22 3hri n PHE 81 Ca -0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.45 57.37 3hri n PHE 81 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.87 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 1.14 0.32 3.85 1.37 0.00 -0.17 -5.04 105.19 106.66 3hri n GLY 82 Ca 0.19 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.44 3.55 -0.15 1.61 0.40 0.21 -4.78 117.98 116.38 3hri s PHE 83 Ca 0.03 1.04 -0.06 0.00 -0.60 0.00 0.00 56.93 57.33 3hri s PHE 83 Cb -0.01 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 3hri s PHE 83 CO 0.04 0.36 0.08 -1.21 0.70 0.00 0.00 175.22 175.19 3hri s GLU 84 N -2.25 3.66 0.34 0.44 2.02 0.25 -4.41 118.70 118.76 3hri s GLU 84 Ca 0.42 -0.28 -0.27 0.00 0.02 0.00 0.00 54.97 54.85 3hri s GLU 84 Cb -0.14 -3.15 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 3hri s GLU 84 CO 0.20 0.50 1.09 -2.00 0.02 0.00 0.00 175.26 175.07 3hri s GLU 85 N -0.27 4.39 0.32 1.61 2.12 -1.26 -0.58 118.70 125.04 3hri s GLU 85 Ca 0.09 1.69 0.03 0.00 0.36 0.00 0.00 54.97 57.15 3hri s GLU 85 Cb -0.12 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 3hri s GLU 85 CO 0.01 0.02 0.13 1.52 -0.54 0.00 0.00 175.26 176.40 3hri s TYR 86 N -1.38 1.69 0.09 5.30 -0.85 0.50 -4.86 117.35 117.84 3hri s TYR 86 Ca 0.51 -1.27 -0.26 0.00 -0.52 0.00 0.00 57.07 55.54 3hri s TYR 86 Cb -0.28 -0.99 0.08 0.00 0.38 0.00 0.00 41.96 41.15 3hri s TYR 86 CO 0.36 -0.37 0.76 0.34 -1.52 0.00 0.00 175.55 175.12 3hri s ASP 87 N -3.44 -0.43 0.30 -0.18 2.15 -1.26 -4.50 116.67 109.32 3hri s ASP 87 Ca 0.33 -0.07 -0.10 0.00 0.43 0.00 0.00 52.55 53.14 3hri s ASP 87 Cb 0.05 0.50 0.01 0.00 -0.30 0.00 0.00 42.92 43.18 3hri s ASP 87 CO 0.16 -0.84 0.52 -0.94 -0.17 0.00 0.00 175.17 173.90 3hri s SER 88 N -2.66 0.25 0.36 -0.34 1.04 -1.26 -5.12 113.70 105.97 3hri s SER 88 Ca 0.04 -1.14 -0.28 0.00 0.48 0.00 0.00 55.95 55.05 3hri s SER 88 Cb -0.01 0.65 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 3hri s SER 88 CO -0.09 -1.27 1.31 -2.84 0.98 0.00 0.00 173.24 171.33 3hri s PRO 89 N -3.47 4.20 0.52 4.02 0.02 -1.26 -4.89 135.00 134.14 3hri s PRO 89 Ca 0.24 2.20 0.16 0.00 0.02 0.00 0.00 61.00 63.63 3hri s PRO 89 Cb -0.01 -2.94 1.26 0.00 0.02 0.00 0.00 34.50 32.83 3hri s PRO 89 CO 0.13 -0.32 2.14 -0.39 -0.33 0.00 0.00 177.00 178.24 3hri h VAL 90 N 2.81 1.00 -3.48 3.83 -1.51 -1.94 -3.39 116.25 113.57 3hri h VAL 90 Ca -0.49 -0.03 -0.61 0.00 -1.23 0.00 0.00 66.70 64.34 3hri h VAL 90 Cb 1.23 1.02 -0.12 0.00 -2.13 0.00 0.00 31.29 31.30 3hri h VAL 90 CO 0.64 0.01 0.54 -0.22 -1.23 0.00 0.00 177.57 177.31 3hri s LEU 91 N -9.03 4.08 0.40 4.19 2.96 -1.26 -1.55 118.68 118.47 3hri s LEU 91 Ca -0.05 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3hri s LEU 91 Cb 0.17 -3.02 -0.08 0.00 0.50 0.00 0.00 46.19 43.76 3hri s LEU 91 CO 0.67 -1.10 -0.00 -1.61 -1.32 0.00 0.00 176.35 172.99 3hri s GLU 92 N 3.76 1.94 0.29 1.98 0.41 -0.36 -4.92 118.70 121.79 3hri s GLU 92 Ca 0.33 -2.08 -0.29 0.00 -0.41 0.00 0.00 54.97 52.52 3hri s GLU 92 Cb -0.11 -1.65 -0.10 0.00 -1.78 0.00 0.00 34.13 30.49 3hri s GLU 92 CO 0.23 -0.02 1.22 0.45 -0.49 0.00 0.00 175.26 176.64 3hri s SER 93 N -3.70 7.00 0.14 -0.19 0.15 -1.26 -0.12 113.70 115.72 3hri s SER 93 Ca 0.35 2.46 -0.19 0.00 0.70 0.00 0.00 55.95 59.27 3hri s SER 93 Cb 0.09 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3hri s SER 93 CO 0.18 -0.37 1.73 -0.08 1.20 0.00 0.00 173.24 175.90 3hri h GLU 94 N 3.91 0.11 -1.16 5.44 4.81 -1.78 -2.52 114.58 123.39 3hri h GLU 94 Ca -0.47 -0.01 0.38 0.00 -0.13 0.00 0.00 59.36 59.13 3hri h GLU 94 Cb 1.22 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.44 3hri h GLU 94 CO 0.68 0.07 0.71 0.93 -0.73 0.00 0.00 179.01 180.68 3hri h GLU 95 N 0.12 0.17 -0.69 1.92 5.08 -1.93 0.13 114.58 119.38 3hri h GLU 95 Ca 0.12 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3hri h GLU 95 Cb 0.13 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3hri h GLU 95 CO -0.17 0.11 0.45 1.25 -1.00 0.00 0.00 179.01 179.65 3hri h LEU 96 N 0.17 0.76 0.15 1.33 5.85 -1.84 -1.95 115.31 119.78 3hri h LEU 96 Ca 0.78 -0.01 -0.35 0.00 0.84 0.00 0.00 57.88 59.13 3hri h LEU 96 Cb 2.16 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 3hri h LEU 96 CO -0.50 0.54 -1.84 1.88 -0.34 0.00 0.00 178.44 178.18 3hri h TYR 97 N 0.90 0.58 -0.11 1.25 0.05 -1.11 -3.25 116.97 115.29 3hri h TYR 97 Ca 0.26 -0.42 0.01 0.00 0.05 0.00 0.00 58.73 58.64 3hri h TYR 97 Cb -0.06 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 3hri h TYR 97 CO -0.03 1.72 0.07 0.97 -1.05 0.00 0.00 178.16 179.84 3hri h ILE 98 N 0.04 1.00 0.00 -2.88 2.10 -1.46 0.20 117.51 116.51 3hri h ILE 98 Ca -0.38 -0.03 -0.04 0.00 1.08 0.00 0.00 64.86 65.49 3hri h ILE 98 Cb 2.03 0.90 -0.01 0.00 -1.09 0.00 0.00 36.82 38.65 3hri h ILE 98 CO 0.12 0.02 -0.18 -0.09 -1.08 0.00 0.00 178.15 176.93 3hri h ARG 99 N 0.09 0.00 0.41 2.19 2.43 -1.44 -0.84 114.38 117.23 3hri h ARG 99 Ca 0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3hri h ARG 99 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3hri h ARG 99 CO -0.01 0.18 -0.20 0.87 -1.51 0.00 0.00 179.97 179.31 3hri h LYS 100 N 0.00 -0.54 0.00 0.20 1.57 -0.64 -3.44 116.57 113.72 3hri h LYS 100 Ca -0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hri h LYS 100 Cb 0.74 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3hri h LYS 100 CO 0.02 -0.31 0.00 0.00 -0.57 0.00 0.00 179.45 178.59 3hri n ALA 101 N -2.71 2.03 0.00 3.86 0.00 -0.88 -5.13 120.51 117.69 3hri n ALA 101 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3hri n ALA 101 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.05 1.16 0.32 0.00 0.00 -0.32 -4.73 105.19 101.57 3hri n GLY 102 Ca 0.00 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 0.12 -1.12 1.61 5.08 -1.96 -3.14 114.58 115.17 3hri h GLU 103 Ca 0.00 -0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.67 3hri h GLU 103 Cb 0.00 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 3hri h GLU 103 CO 0.00 0.08 0.72 1.05 -1.00 0.00 0.00 179.01 179.86 3hri h GLU 104 N 0.13 0.29 0.00 2.33 4.11 -1.96 -0.18 114.58 119.29 3hri h GLU 104 Ca 0.15 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 3hri h GLU 104 Cb 0.44 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hri h GLU 104 CO -0.02 0.19 -0.08 -0.84 0.07 0.00 0.00 179.01 178.34 3hri h ILE 105 N 0.30 0.19 0.00 -1.06 3.07 -1.87 -2.52 117.51 115.63 3hri h ILE 105 Ca 0.66 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 66.32 3hri h ILE 105 Cb 1.82 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.99 3hri h ILE 105 CO -0.33 0.07 0.09 0.35 -1.05 0.00 0.00 178.15 177.28 3hri n THR 106 N -3.20 1.35 -0.08 0.16 -2.24 -0.08 -0.37 114.28 109.82 3hri n THR 106 Ca 0.01 0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 62.29 3hri n THR 106 Cb 0.36 -1.60 -0.16 0.00 -2.10 0.00 0.00 70.33 66.83 3hri n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hri n GLU 107 N -1.74 0.68 -0.84 -0.78 1.02 -0.95 -4.50 120.64 113.53 3hri n GLU 107 Ca -0.01 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 3hri n GLU 107 Cb 0.10 -1.58 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 3hri n GLU 107 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hri n GLN 108 N -2.81 1.86 -3.81 3.49 6.02 0.50 -4.89 117.38 117.74 3hri n GLN 108 Ca -0.30 -1.95 -0.08 0.00 -0.01 0.00 0.00 57.00 54.66 3hri n GLN 108 Cb 1.14 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 30.60 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 -2.17 1.62 -0.71 -1.09 0.23 -1.15 -3.18 119.30 112.85 3hri s MET 109 Ca 0.37 -0.94 -0.24 0.00 -1.03 0.00 0.00 55.69 53.85 3hri s MET 109 Cb 0.31 0.57 0.05 0.00 -1.53 0.00 0.00 34.83 34.23 3hri s MET 109 CO 0.05 -0.72 1.11 -0.06 -2.03 0.00 0.00 175.02 173.37 3hri s PHE 110 N -3.91 2.51 0.24 3.16 0.40 -1.26 -4.79 117.98 114.33 3hri s PHE 110 Ca 0.11 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3hri s PHE 110 Cb -0.04 -4.45 -0.04 0.00 0.51 0.00 0.00 43.02 39.00 3hri s PHE 110 CO 0.03 -1.84 0.45 -0.80 0.70 0.00 0.00 175.22 173.76 3hri s ASN 111 N 3.73 6.38 0.06 1.36 0.01 -1.26 -2.36 114.94 122.86 3hri s ASN 111 Ca 0.28 0.46 -0.28 0.00 -0.71 0.00 0.00 52.86 52.61 3hri s ASN 111 Cb -0.12 -2.03 0.09 0.00 0.41 0.00 0.00 41.25 39.59 3hri s ASN 111 CO 0.11 -0.11 1.04 0.72 -1.51 0.00 0.00 177.10 177.35 3hri s PHE 112 N -1.99 -0.15 0.16 2.20 -0.12 -0.72 -5.01 117.98 112.36 3hri s PHE 112 Ca 0.40 -0.06 0.08 0.00 -0.05 0.00 0.00 56.93 57.29 3hri s PHE 112 Cb -0.11 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 3hri s PHE 112 CO 0.30 -0.60 -0.06 0.42 -0.05 0.00 0.00 175.22 175.24 3hri s ILE 113 N -2.99 3.47 0.00 -4.49 1.09 -1.26 -1.71 121.20 115.30 3hri s ILE 113 Ca 0.11 -1.46 0.00 0.00 -1.10 0.00 0.00 60.65 58.20 3hri s ILE 113 Cb 0.00 -2.71 0.00 0.00 -1.06 0.00 0.00 42.46 38.70 3hri s ILE 113 CO -0.02 -0.06 0.00 0.35 -0.10 0.00 0.00 174.94 175.12 3hri n THR 114 N 0.13 0.00 -1.25 2.92 -2.24 -1.26 -5.01 114.28 107.57 3hri n THR 114 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3hri n THR 114 Cb 0.55 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.91 -1.40 -4.21 4.78 -0.00 -1.26 -5.21 115.22 106.01 3hri n HIS 118 Ca 0.00 0.83 -0.35 0.00 -0.00 0.00 0.00 57.72 58.20 3hri n HIS 118 Cb 0.27 -2.52 -0.09 0.00 -0.00 0.00 0.00 29.99 27.66 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 -1.83 3.38 0.10 1.57 0.52 -1.26 -5.02 118.95 116.41 3hri s ARG 119 Ca 0.00 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 3hri s ARG 119 Cb 0.00 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 3hri s ARG 119 CO 0.00 0.56 0.05 0.14 0.02 0.00 0.00 175.30 176.06 3hri s VAL 120 N -0.45 0.15 -0.00 3.52 -7.23 -0.70 -2.46 120.40 113.23 3hri s VAL 120 Ca 0.09 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 3hri s VAL 120 Cb -0.12 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.06 3hri s VAL 120 CO 0.02 -0.68 0.17 0.00 -0.31 0.00 0.00 175.10 174.30 3hri s ALA 121 N -3.98 -0.42 -0.19 1.32 0.00 0.83 -1.75 121.76 117.58 3hri s ALA 121 Ca 0.15 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3hri s ALA 121 Cb 0.07 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3hri s ALA 121 CO -0.04 -0.21 1.04 -0.51 0.00 0.00 0.00 175.76 176.03 3hri s LEU 122 N -1.32 4.15 0.32 0.00 1.43 -0.99 -1.22 118.68 121.05 3hri s LEU 122 Ca -0.14 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 3hri s LEU 122 Cb -0.07 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.50 3hri s LEU 122 CO 0.02 -0.61 1.52 0.00 0.23 0.00 0.00 176.35 177.51 3hri s ARG 123 N 2.84 4.15 0.15 1.70 1.70 -0.60 -4.42 118.95 124.47 3hri s ARG 123 Ca 0.46 2.52 0.23 0.00 -0.47 0.00 0.00 55.73 58.46 3hri s ARG 123 Cb -0.16 -3.02 0.02 0.00 -0.57 0.00 0.00 34.95 31.22 3hri s ARG 123 CO 0.10 -0.54 1.02 -0.35 -1.08 0.00 0.00 175.30 174.45 3hri n PRO 124 N 1.49 0.53 -3.69 3.89 -0.04 -1.11 0.11 135.00 136.18 3hri n PRO 124 Ca 0.05 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 3hri n PRO 124 Cb 0.39 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 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 -3.34 1.20 -0.05 0.54 -1.05 -1.26 -4.55 118.70 110.19 3hri s GLU 125 Ca 0.00 -0.80 0.07 0.00 -0.15 0.00 0.00 54.97 54.09 3hri s GLU 125 Cb 0.11 0.48 -0.24 0.00 -0.44 0.00 0.00 34.13 34.04 3hri s GLU 125 CO 0.79 -0.48 0.63 1.98 0.95 0.00 0.00 175.26 179.13 3hri h MET 126 N 2.31 0.08 -0.94 -4.83 1.85 -1.96 -3.41 114.93 108.03 3hri h MET 126 Ca -0.32 -0.14 0.15 0.00 -0.61 0.00 0.00 59.70 58.78 3hri h MET 126 Cb 1.26 0.05 -0.09 0.00 0.43 0.00 0.00 31.60 33.25 3hri h MET 126 CO 0.43 0.72 0.55 1.15 -0.40 0.00 0.00 176.91 179.37 3hri h THR 127 N 0.02 0.79 0.00 -0.77 2.02 -2.00 0.19 112.91 113.17 3hri h THR 127 Ca -0.31 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3hri h THR 127 Cb 2.01 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3hri h THR 127 CO 0.09 0.14 -0.03 -0.65 0.37 0.00 0.00 175.52 175.44 3hri h PRO 128 N 0.79 0.00 -0.04 6.66 0.11 -1.96 -1.36 132.00 136.20 3hri h PRO 128 Ca 0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.48 3hri h PRO 128 Cb 0.65 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.77 3hri h PRO 128 CO -0.33 0.03 -0.49 0.77 -0.21 0.00 0.00 178.00 177.77 3hri h SER 129 N 0.00 0.51 -0.26 -2.05 0.02 -0.91 -2.61 113.55 108.26 3hri h SER 129 Ca -0.00 -0.70 0.05 0.00 -0.84 0.00 0.00 61.79 60.30 3hri h SER 129 Cb 0.17 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.48 3hri h SER 129 CO 0.00 1.14 -0.46 0.25 -1.14 0.00 0.00 176.83 176.63 3hri h LEU 130 N -0.08 -1.48 -0.60 5.07 5.85 -1.16 0.14 115.31 123.06 3hri h LEU 130 Ca -0.05 0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.99 3hri h LEU 130 Cb 1.18 0.61 -0.11 0.00 0.37 0.00 0.00 40.66 42.71 3hri h LEU 130 CO 0.10 -0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 177.67 3hri h ALA 131 N 0.15 0.44 -0.35 1.25 0.00 -1.38 0.71 119.26 120.07 3hri h ALA 131 Ca 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3hri h ALA 131 Cb 0.62 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3hri h ALA 131 CO -0.49 -0.42 0.08 -0.09 0.00 0.00 0.00 179.25 178.33 3hri h ARG 132 N 0.02 0.51 0.00 0.00 2.43 -0.71 -1.43 114.38 115.21 3hri h ARG 132 Ca 0.29 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3hri h ARG 132 Cb 0.45 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hri h ARG 132 CO -0.59 0.47 -0.21 1.96 -1.51 0.00 0.00 179.97 180.09 3hri h GLN 133 N 0.50 0.14 -0.35 0.20 4.20 0.39 -2.72 115.11 117.47 3hri h GLN 133 Ca 0.12 -0.15 0.06 0.00 0.06 0.00 0.00 58.65 58.73 3hri h GLN 133 Cb 0.20 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 3hri h GLN 133 CO -0.00 0.92 0.02 -0.07 -0.67 0.00 0.00 178.83 179.03 3hri h LEU 134 N -0.58 -0.09 -0.90 1.46 3.38 -0.81 -2.00 115.31 115.76 3hri h LEU 134 Ca -0.03 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hri h LEU 134 Cb 1.00 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 3hri h LEU 134 CO 0.04 -0.01 0.56 -0.07 0.09 0.00 0.00 178.44 179.05 3hri h LEU 135 N 0.13 0.86 -0.92 1.67 3.38 -1.35 -1.77 115.31 117.31 3hri h LEU 135 Ca 0.17 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3hri h LEU 135 Cb 0.22 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3hri h LEU 135 CO -0.26 0.53 0.56 0.00 0.09 0.00 0.00 178.44 179.37 3hri h ALA 136 N 1.44 1.33 0.00 1.53 0.00 -1.04 -1.43 119.26 121.09 3hri h ALA 136 Ca 0.40 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3hri h ALA 136 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hri h ALA 136 CO -0.19 0.22 -0.49 0.87 0.00 0.00 0.00 179.25 179.66 3hri h LYS 137 N 0.95 0.00 0.00 0.00 1.57 -0.88 -3.49 116.57 114.72 3hri h LYS 137 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3hri h LYS 137 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hri h LYS 137 CO -0.23 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 3hri n GLY 138 N 0.03 2.08 0.29 3.86 0.00 -0.54 -2.43 105.19 108.49 3hri n GLY 138 Ca -0.01 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.66 3hri n GLY 138 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hri h ARG 139 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -2.79 114.38 111.30 3hri h ARG 139 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 3hri h ARG 139 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 3hri h ARG 139 CO 0.00 0.04 0.00 0.66 -0.00 0.00 0.00 179.97 180.67 3hri h SER 140 N 0.00 0.00 -2.65 0.08 4.64 -1.88 -3.42 113.55 110.31 3hri h SER 140 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hri h SER 140 Cb 0.14 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3hri h SER 140 CO 0.01 0.00 1.02 -0.22 -0.87 0.00 0.00 176.83 176.76 3hri s LEU 141 N -5.54 4.38 -0.33 5.97 1.98 -1.06 -4.95 118.68 119.13 3hri s LEU 141 Ca 0.01 2.72 -0.22 0.00 -2.89 0.00 0.00 54.13 53.75 3hri s LEU 141 Cb 0.09 -3.58 -0.00 0.00 0.66 0.00 0.00 46.19 43.36 3hri s LEU 141 CO 0.46 -0.94 0.70 -1.48 -1.89 0.00 0.00 176.35 173.20 3hri s LEU 142 N 1.97 4.15 -0.10 -0.68 2.34 -1.26 -5.04 118.68 120.06 3hri s LEU 142 Ca 0.76 0.40 -0.07 0.00 0.06 0.00 0.00 54.13 55.28 3hri s LEU 142 Cb -0.46 -2.91 -0.04 0.00 -0.56 0.00 0.00 46.19 42.22 3hri s LEU 142 CO 0.33 -0.59 0.16 -0.76 -1.06 0.00 0.00 176.35 174.43 3hri s LEU 143 N 2.82 4.39 0.32 1.48 1.43 -1.26 -3.57 118.68 124.28 3hri s LEU 143 Ca 0.28 0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 3hri s LEU 143 Cb -0.14 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 3hri s LEU 143 CO 0.14 0.38 1.03 -2.16 0.23 0.00 0.00 176.35 175.97 3hri s PRO 144 N -1.17 4.53 -0.16 1.29 0.04 -1.26 -5.09 135.00 133.18 3hri s PRO 144 Ca 0.17 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 3hri s PRO 144 Cb -0.12 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 3hri s PRO 144 CO 0.07 0.17 -0.07 0.00 0.04 0.00 0.00 177.00 177.21 3hri s ALA 145 N -1.40 2.82 -0.49 8.56 0.00 -0.95 -4.99 121.76 125.32 3hri s ALA 145 Ca 0.49 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3hri s ALA 145 Cb -0.25 -1.47 0.13 0.00 0.00 0.00 0.00 23.12 21.52 3hri s ALA 145 CO 0.32 0.07 0.33 0.15 0.00 0.00 0.00 175.76 176.63 3hri s LYS 146 N 0.64 2.39 -0.16 0.00 1.02 -1.26 -1.96 119.74 120.41 3hri s LYS 146 Ca -0.04 -1.91 -0.04 0.00 0.02 0.00 0.00 55.97 53.99 3hri s LYS 146 Cb -0.15 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3hri s LYS 146 CO 0.03 -1.16 -0.02 -1.58 -0.92 0.00 0.00 175.35 171.70 3hri s TRP 147 N 1.07 3.07 0.18 3.18 0.52 -0.61 0.88 118.94 127.23 3hri s TRP 147 Ca 0.08 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 56.03 3hri s TRP 147 Cb -0.24 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.05 3hri s TRP 147 CO -0.02 -0.01 -0.11 1.52 0.02 0.00 0.00 176.95 178.35 3hri s TYR 148 N 0.39 1.50 0.22 -1.98 1.13 0.25 -0.94 117.35 117.92 3hri s TYR 148 Ca -0.02 -0.69 -0.23 0.00 -1.41 0.00 0.00 57.07 54.72 3hri s TYR 148 Cb -0.14 -0.74 0.04 0.00 -1.10 0.00 0.00 41.96 40.02 3hri s TYR 148 CO 0.02 0.20 0.77 -1.54 -2.51 0.00 0.00 175.55 172.49 3hri s SER 149 N -3.25 -0.29 -0.50 -0.18 1.04 -1.21 -0.37 113.70 108.94 3hri s SER 149 Ca 0.20 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.26 3hri s SER 149 Cb 0.01 0.64 0.33 0.00 0.10 0.00 0.00 66.02 67.11 3hri s SER 149 CO 0.04 -1.16 0.84 -0.38 0.98 0.00 0.00 173.24 173.57 3hri n ILE 150 N -0.44 1.75 -2.33 -1.02 5.41 -1.26 -0.94 119.36 120.53 3hri n ILE 150 Ca -0.07 -5.16 -0.37 0.00 1.00 0.00 0.00 62.75 58.16 3hri n ILE 150 Cb 0.60 -1.06 -0.02 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.96 3.95 0.24 0.38 0.04 -1.22 -4.52 135.00 130.91 3hri s PRO 151 Ca 0.45 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.99 3hri s PRO 151 Cb 0.29 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3hri s PRO 151 CO -0.11 -0.38 0.82 -1.14 0.04 0.00 0.00 177.00 176.23 3hri s GLN 152 N -2.52 4.46 0.04 4.56 0.74 -1.26 -2.68 119.66 122.99 3hri s GLN 152 Ca 0.60 1.11 0.01 0.00 0.05 0.00 0.00 55.36 57.13 3hri s GLN 152 Cb -0.28 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 3hri s GLN 152 CO 0.34 0.40 -0.05 0.00 -0.55 0.00 0.00 175.29 175.43 3hri s TRP 154 N -1.78 1.90 -0.06 0.00 0.52 0.29 -2.20 118.94 117.62 3hri s TRP 154 Ca -0.09 -0.75 -0.00 0.00 0.02 0.00 0.00 56.10 55.27 3hri s TRP 154 Cb -0.07 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 30.94 3hri s TRP 154 CO -0.01 -0.34 -0.02 0.50 0.02 0.00 0.00 176.95 177.09 3hri s ARG 155 N 0.56 0.69 -0.95 4.98 3.52 -0.84 -2.75 118.95 124.17 3hri s ARG 155 Ca -0.16 0.00 -0.24 0.00 -0.13 0.00 0.00 55.73 55.21 3hri s ARG 155 Cb -0.17 -0.87 0.05 0.00 -1.56 0.00 0.00 34.95 32.40 3hri s ARG 155 CO 0.05 -0.19 1.40 -0.47 -0.81 0.00 0.00 175.30 175.28 3hri s TYR 156 N 1.40 2.48 0.40 5.12 5.04 -1.19 -4.15 117.35 126.45 3hri s TYR 156 Ca -0.04 -0.66 0.05 0.00 -2.44 0.00 0.00 57.07 53.99 3hri s TYR 156 Cb -0.13 -4.67 -0.02 0.00 0.35 0.00 0.00 41.96 37.49 3hri s TYR 156 CO -0.03 -1.96 0.19 -1.21 -1.34 0.00 0.00 175.55 171.20 3hri s GLU 157 N 5.11 1.92 0.71 4.97 0.41 -1.26 -4.61 118.70 125.95 3hri s GLU 157 Ca 0.43 -2.16 -0.11 0.00 -0.41 0.00 0.00 54.97 52.71 3hri s GLU 157 Cb -0.02 -0.28 0.02 0.00 -1.78 0.00 0.00 34.13 32.07 3hri s GLU 157 CO -0.04 -0.57 1.08 0.00 -0.49 0.00 0.00 175.26 175.24 3hri s ALA 158 N -3.26 2.77 -0.12 5.21 0.00 -1.26 -4.79 121.76 120.30 3hri s ALA 158 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 3hri s ALA 158 Cb 0.02 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 3hri s ALA 158 CO 0.19 -1.20 -0.13 -0.89 0.00 0.00 0.00 175.76 173.73 3hri n ILE 159 N -3.07 0.69 0.90 0.00 -0.00 -1.26 -4.40 119.36 112.22 3hri n ILE 159 Ca 0.07 -0.23 0.03 0.00 -0.00 0.00 0.00 62.75 62.62 3hri n ILE 159 Cb 0.56 -1.24 0.12 0.00 -0.00 0.00 0.00 39.64 39.08 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 -3.16 0.55 -3.49 1.39 -2.24 -1.26 -4.18 114.28 101.89 3hri n THR 160 Ca -0.23 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 3hri n THR 160 Cb 0.71 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.21 2.18 0.00 -0.78 3.00 -1.26 -5.04 116.66 114.97 3hri n ARG 161 Ca 0.09 -4.48 0.00 0.00 -0.01 0.00 0.00 57.85 53.45 3hri n ARG 161 Cb 0.34 -2.16 0.00 0.00 0.00 0.00 0.00 32.46 30.64 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 1.16 1.92 3.69 -0.13 0.00 -1.26 -4.85 105.19 105.72 3hri n GLY 162 Ca 0.27 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 0.37 -0.20 1.61 0.52 -1.26 -4.98 118.95 115.00 3hri s ARG 163 Ca 0.00 0.37 0.21 0.00 -0.52 0.00 0.00 55.73 55.79 3hri s ARG 163 Cb 0.00 -1.74 0.48 0.00 0.52 0.00 0.00 34.95 34.21 3hri s ARG 163 CO 0.00 -2.74 1.14 2.89 0.02 0.00 0.00 175.30 176.61 3hri n ARG 164 N -4.16 1.56 0.00 3.54 1.85 -1.26 -4.18 116.66 114.01 3hri n ARG 164 Ca 0.06 -3.23 0.00 0.00 -1.00 0.00 0.00 57.85 53.68 3hri n ARG 164 Cb 0.58 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.67 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 -0.39 0.00 -3.80 2.89 1.74 -1.26 -4.40 116.66 111.45 3hri n ARG 165 Ca 0.12 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.07 3hri n ARG 165 Cb 0.90 -2.04 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.04 -0.18 5.56 -6.30 -1.26 -1.98 118.70 114.59 3hri s GLU 166 Ca 0.00 0.20 -0.27 0.00 -2.50 0.00 0.00 54.97 52.40 3hri s GLU 166 Cb 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 34.13 34.08 3hri s GLU 166 CO 0.00 -0.10 0.68 -3.38 0.02 0.00 0.00 175.26 172.48 3hri s HIS 167 N 0.68 -0.71 0.24 5.30 -3.43 -0.93 -4.95 115.29 111.49 3hri s HIS 167 Ca -0.05 1.56 -0.05 0.00 -0.80 0.00 0.00 55.06 55.72 3hri s HIS 167 Cb -0.08 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.34 3hri s HIS 167 CO -0.03 -0.46 0.50 0.71 -2.00 0.00 0.00 174.74 173.46 3hri s TYR 168 N -0.26 3.47 -0.23 0.38 2.02 -1.26 -0.40 117.35 121.07 3hri s TYR 168 Ca -0.04 0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 57.20 3hri s TYR 168 Cb -0.03 -2.06 0.11 0.00 -0.40 0.00 0.00 41.96 39.58 3hri s TYR 168 CO 0.04 0.26 0.46 -1.14 -1.57 0.00 0.00 175.55 173.61 3hri s GLN 169 N -3.27 0.39 -0.35 -0.62 0.74 -1.09 -2.10 119.66 113.34 3hri s GLN 169 Ca 0.43 0.99 -0.29 0.00 0.05 0.00 0.00 55.36 56.54 3hri s GLN 169 Cb -0.11 0.26 -0.01 0.00 1.10 0.00 0.00 33.01 34.25 3hri s GLN 169 CO 0.28 -0.36 1.58 -0.46 -0.55 0.00 0.00 175.29 175.78 3hri s TRP 170 N 2.66 2.15 0.52 1.67 -0.00 -0.51 -3.45 118.94 121.99 3hri s TRP 170 Ca 0.03 0.64 0.00 0.00 -0.00 0.00 0.00 56.10 56.77 3hri s TRP 170 Cb -0.13 -4.19 0.02 0.00 -0.00 0.00 0.00 33.47 29.17 3hri s TRP 170 CO -0.15 -2.46 0.75 -0.80 -0.00 0.00 0.00 176.95 174.29 3hri s ASN 171 N 4.76 5.47 -0.30 5.86 0.01 -0.12 -0.84 114.94 129.79 3hri s ASN 171 Ca 0.70 0.15 -0.15 0.00 -0.71 0.00 0.00 52.86 52.85 3hri s ASN 171 Cb -0.19 -1.17 0.15 0.00 0.41 0.00 0.00 41.25 40.46 3hri s ASN 171 CO 0.32 -1.00 0.96 -0.32 -1.51 0.00 0.00 177.10 175.56 3hri s MET 172 N -4.72 0.35 -0.09 -0.60 1.75 -1.01 -3.28 119.30 111.70 3hri s MET 172 Ca 0.54 0.76 -0.04 0.00 -1.25 0.00 0.00 55.69 55.69 3hri s MET 172 Cb -0.10 0.33 0.05 0.00 2.84 0.00 0.00 34.83 37.94 3hri s MET 172 CO 0.39 -0.10 0.20 -0.51 -0.65 0.00 0.00 175.02 174.35 3hri s ASP 173 N 2.06 -0.01 -0.21 1.11 1.11 -0.12 -1.01 116.67 119.60 3hri s ASP 173 Ca -0.05 0.42 -0.06 0.00 0.18 0.00 0.00 52.55 53.04 3hri s ASP 173 Cb -0.05 0.33 -0.03 0.00 1.07 0.00 0.00 42.92 44.25 3hri s ASP 173 CO -0.17 -0.18 0.02 -0.63 1.18 0.00 0.00 175.17 175.39 3hri s ILE 174 N 1.49 4.05 0.01 0.77 1.01 0.52 -1.57 121.20 127.48 3hri s ILE 174 Ca -0.07 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.39 3hri s ILE 174 Cb -0.11 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3hri s ILE 174 CO -0.07 0.41 -0.24 0.27 0.00 0.00 0.00 174.94 175.31 3hri s ILE 175 N 1.16 1.88 0.00 2.92 -4.36 -0.83 -1.98 121.20 119.99 3hri s ILE 175 Ca 0.03 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 3hri s ILE 175 Cb -0.14 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 41.98 3hri s ILE 175 CO 0.02 0.43 0.00 0.61 0.24 0.00 0.00 174.94 176.24 3hri n GLY 176 N 2.21 0.76 3.48 6.27 0.00 -0.82 -2.24 105.19 114.85 3hri n GLY 176 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.28 4.72 0.21 1.61 1.01 -1.26 -4.69 120.40 119.72 3hri s VAL 177 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.85 3hri s VAL 177 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 3hri s VAL 177 CO 0.00 0.17 1.48 0.11 0.00 0.00 0.00 175.10 176.86 3hri h LYS 178 N 8.33 0.01 -7.02 2.72 1.79 -1.97 -3.43 116.57 117.00 3hri h LYS 178 Ca -0.34 -0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 57.66 3hri h LYS 178 Cb 1.16 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.88 3hri h LYS 178 CO 0.59 0.78 0.06 -1.54 -1.08 0.00 0.00 179.45 178.27 3hri s SER 179 N -6.80 4.84 0.00 0.86 1.04 -1.26 -4.98 113.70 107.40 3hri s SER 179 Ca -0.01 -0.06 0.29 0.00 0.48 0.00 0.00 55.95 56.65 3hri s SER 179 Cb 0.12 -0.60 1.61 0.00 0.10 0.00 0.00 66.02 67.25 3hri s SER 179 CO 0.79 -1.50 2.03 0.55 0.98 0.00 0.00 173.24 176.09 3hri n VAL 180 N -2.63 0.04 -0.02 5.02 3.14 -1.26 -3.31 118.33 119.31 3hri n VAL 180 Ca 0.11 0.01 -0.03 0.00 -2.96 0.00 0.00 64.34 61.46 3hri n VAL 180 Cb 0.60 -0.55 0.21 0.00 -1.06 0.00 0.00 33.84 33.04 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 0.00 0.55 -0.28 6.55 4.64 -1.96 -2.16 113.55 120.89 3hri h SER 181 Ca 0.00 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 3hri h SER 181 Cb 0.10 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3hri h SER 181 CO 0.00 0.72 -0.17 0.77 -0.87 0.00 0.00 176.83 177.29 3hri h SER 182 N 0.51 0.72 -0.38 4.97 4.64 -1.91 -1.44 113.55 120.67 3hri h SER 182 Ca 0.09 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3hri h SER 182 Cb 0.55 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3hri h SER 182 CO 0.04 0.90 0.18 -0.33 -0.87 0.00 0.00 176.83 176.74 3hri h GLU 183 N 0.65 0.36 -0.59 4.77 3.07 -1.74 -2.76 114.58 118.33 3hri h GLU 183 Ca 0.10 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.01 3hri h GLU 183 Cb 0.65 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 3hri h GLU 183 CO 0.05 0.24 0.27 0.28 -1.40 0.00 0.00 179.01 178.45 3hri h VAL 184 N 0.37 0.87 -0.04 3.13 2.07 -0.73 -2.80 116.25 119.12 3hri h VAL 184 Ca 0.16 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3hri h VAL 184 Cb 0.08 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3hri h VAL 184 CO -0.12 0.09 -0.34 -0.08 0.02 0.00 0.00 177.57 177.14 3hri h GLU 185 N 0.50 0.30 -0.90 1.57 4.81 -1.13 -1.86 114.58 117.87 3hri h GLU 185 Ca 0.28 -0.27 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 3hri h GLU 185 Cb 0.26 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.61 3hri h GLU 185 CO -0.23 0.94 0.50 -0.07 -0.73 0.00 0.00 179.01 179.42 3hri h LEU 186 N -0.25 0.65 -0.50 1.64 3.38 -1.47 0.85 115.31 119.61 3hri h LEU 186 Ca -0.03 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3hri h LEU 186 Cb 1.03 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3hri h LEU 186 CO 0.07 0.28 0.13 0.58 0.09 0.00 0.00 178.44 179.59 3hri h VAL 187 N 0.71 1.24 -0.53 1.22 2.07 -1.46 0.43 116.25 119.92 3hri h VAL 187 Ca 0.49 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3hri h VAL 187 Cb 0.68 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3hri h VAL 187 CO -0.35 0.30 0.35 0.00 0.02 0.00 0.00 177.57 177.89 3hri h ALA 189 N 1.20 0.13 0.19 0.00 0.00 0.87 0.63 119.26 122.28 3hri h ALA 189 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hri h ALA 189 Cb -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hri h ALA 189 CO -0.05 -0.48 -0.41 0.00 0.00 0.00 0.00 179.25 178.31 3hri h ALA 190 N 1.19 -0.96 -0.81 0.00 0.00 0.46 -1.21 119.26 117.93 3hri h ALA 190 Ca 0.10 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3hri h ALA 190 Cb 0.16 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3hri h ALA 190 CO -0.21 -1.03 0.53 0.00 0.00 0.00 0.00 179.25 178.53 3hri h THR 192 N 0.74 1.27 -0.45 0.00 2.02 0.62 0.41 112.91 117.52 3hri h THR 192 Ca 0.38 -1.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.18 3hri h THR 192 Cb 0.46 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3hri h THR 192 CO -0.15 0.44 -0.17 0.00 0.37 0.00 0.00 175.52 176.01 3hri h ALA 193 N 0.89 0.86 -0.51 6.16 0.00 -0.67 0.64 119.26 126.63 3hri h ALA 193 Ca 0.12 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3hri h ALA 193 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hri h ALA 193 CO 0.05 0.64 -0.01 0.52 0.00 0.00 0.00 179.25 180.44 3hri h MET 194 N 0.76 0.90 -0.33 0.00 2.86 -1.18 -2.78 114.93 115.15 3hri h MET 194 Ca 0.11 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 3hri h MET 194 Cb 0.69 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3hri h MET 194 CO 0.05 0.94 -0.03 0.37 1.06 0.00 0.00 176.91 179.30 3hri h GLN 195 N 0.77 0.53 0.00 1.72 4.15 0.18 -2.10 115.11 120.35 3hri h GLN 195 Ca 0.14 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3hri h GLN 195 Cb 0.54 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3hri h GLN 195 CO 0.03 0.57 0.00 0.77 -1.93 0.00 0.00 178.83 178.27 3hri h SER 196 N 0.50 0.00 0.97 -0.69 0.02 -0.79 -2.93 113.55 110.63 3hri h SER 196 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hri h SER 196 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3hri h SER 196 CO 0.01 0.00 -0.21 0.18 -1.14 0.00 0.00 176.83 175.67 3hri n LEU 197 N -2.31 0.41 0.00 5.07 4.77 -0.88 -4.93 117.00 119.13 3hri n LEU 197 Ca 0.04 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3hri n LEU 197 Cb 0.37 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hri n LEU 197 CO 0.27 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3hri n GLY 198 N 1.43 0.99 3.73 -0.72 0.00 -1.11 -4.90 105.19 104.62 3hri n GLY 198 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 4.53 0.00 0.99 1.43 -0.84 -5.00 118.68 119.79 3hri s LEU 199 Ca 0.00 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.00 3hri s LEU 199 Cb 0.00 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.70 3hri s LEU 199 CO 0.00 -0.02 0.61 -1.54 0.23 0.00 0.00 176.35 175.63 3hri n SER 200 N 2.53 1.58 0.03 2.29 3.41 -1.26 -3.98 113.62 118.22 3hri n SER 200 Ca 0.01 -2.15 0.11 0.00 -0.26 0.00 0.00 58.87 56.58 3hri n SER 200 Cb 0.49 -0.32 0.45 0.00 -0.26 0.00 0.00 64.21 64.57 3hri n SER 200 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hri n SER 201 N -2.51 0.22 0.11 4.04 3.41 -1.26 -2.06 113.62 115.57 3hri n SER 201 Ca 0.12 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.26 3hri n SER 201 Cb 0.45 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3hri n SER 201 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hri h LYS 202 N 0.00 0.00 0.00 4.33 6.56 -1.94 -3.39 116.57 122.13 3hri h LYS 202 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hri h LYS 202 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 3hri h LYS 202 CO 0.00 0.71 -0.16 -0.44 -2.06 0.00 0.00 179.45 177.50 3hri h ASP 203 N 0.00 0.00 -0.53 0.86 3.32 -1.86 -3.44 116.42 114.76 3hri h ASP 203 Ca -0.01 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.42 3hri h ASP 203 Cb 1.51 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.98 3hri h ASP 203 CO 0.09 0.44 -0.40 0.68 -1.72 0.00 0.00 179.24 178.34 3hri s VAL 204 N -1.61 1.49 0.25 -1.35 -7.23 -0.87 -0.12 120.40 110.95 3hri s VAL 204 Ca -0.05 -1.70 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 3hri s VAL 204 Cb 0.01 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 34.82 3hri s VAL 204 CO 0.07 0.00 0.91 -0.83 -0.31 0.00 0.00 175.10 174.94 3hri s GLY 205 N -4.10 0.10 -0.08 2.32 0.00 0.55 -4.39 107.32 101.72 3hri s GLY 205 Ca 0.23 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.62 3hri s GLY 205 CO 0.14 0.81 -0.20 0.14 0.00 0.00 0.00 173.10 173.99 3hri s VAL 206 N -2.63 1.76 0.25 1.40 1.01 0.11 -1.17 120.40 121.12 3hri s VAL 206 Ca 0.17 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3hri s VAL 206 Cb -0.03 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.73 3hri s VAL 206 CO 0.07 0.49 0.70 -0.54 0.00 0.00 0.00 175.10 175.82 3hri s LYS 207 N 0.33 4.11 0.07 2.72 1.02 -0.90 -0.74 119.74 126.34 3hri s LYS 207 Ca -0.14 0.72 0.05 0.00 0.02 0.00 0.00 55.97 56.62 3hri s LYS 207 Cb -0.16 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 3hri s LYS 207 CO 0.06 0.32 -0.15 0.42 -0.92 0.00 0.00 175.35 175.09 3hri s ILE 208 N -1.69 1.15 0.27 2.17 1.09 -0.05 -2.34 121.20 121.81 3hri s ILE 208 Ca 0.46 -1.29 -0.21 0.00 -1.10 0.00 0.00 60.65 58.52 3hri s ILE 208 Cb -0.14 -1.10 0.05 0.00 -1.06 0.00 0.00 42.46 40.21 3hri s ILE 208 CO 0.20 -0.19 0.83 0.21 -0.10 0.00 0.00 174.94 175.89 3hri s ASN 209 N -1.69 -0.14 -0.01 3.58 2.47 -1.06 -0.70 114.94 117.39 3hri s ASN 209 Ca -0.01 -0.71 -0.01 0.00 0.42 0.00 0.00 52.86 52.55 3hri s ASN 209 Cb -0.10 0.68 0.00 0.00 -1.45 0.00 0.00 41.25 40.38 3hri s ASN 209 CO 0.02 -1.29 0.02 -0.55 -3.72 0.00 0.00 177.10 171.58 3hri s SER 210 N -3.02 -0.01 0.44 -4.21 0.15 -1.26 -1.88 113.70 103.91 3hri s SER 210 Ca 0.14 0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.08 3hri s SER 210 Cb -0.04 0.03 0.68 0.00 -1.71 0.00 0.00 66.02 64.97 3hri s SER 210 CO 0.07 -0.01 1.73 0.08 1.20 0.00 0.00 173.24 176.31 3hri h ARG 211 N 6.16 0.00 -0.23 5.44 0.11 -1.78 -3.14 114.38 120.94 3hri h ARG 211 Ca -0.25 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.80 3hri h ARG 211 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3hri h ARG 211 CO 0.50 0.00 0.02 0.87 0.10 0.00 0.00 179.97 181.46 3hri h LYS 212 N 0.00 0.33 -0.05 0.08 1.57 -1.81 0.06 116.57 116.75 3hri h LYS 212 Ca 0.00 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3hri h LYS 212 Cb 0.82 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 3hri h LYS 212 CO 0.00 0.35 -0.22 0.82 -0.57 0.00 0.00 179.45 179.83 3hri h ILE 213 N 0.33 0.48 0.02 1.86 2.04 -1.94 -1.84 117.51 118.46 3hri h ILE 213 Ca 0.08 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.67 3hri h ILE 213 Cb 0.20 0.48 0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3hri h ILE 213 CO 0.00 0.00 -1.07 0.25 0.00 0.00 0.00 178.15 177.33 3hri h LEU 214 N -0.32 0.83 -0.47 1.44 7.12 -1.59 -2.93 115.31 119.38 3hri h LEU 214 Ca 0.08 -0.69 -0.12 0.00 0.13 0.00 0.00 57.88 57.28 3hri h LEU 214 Cb 0.43 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 3hri h LEU 214 CO -0.24 1.49 -0.17 0.06 -0.13 0.00 0.00 178.44 179.46 3hri h GLN 215 N 0.34 0.94 -0.18 1.25 3.07 -0.98 -3.22 115.11 116.33 3hri h GLN 215 Ca -0.13 -0.38 -0.19 0.00 0.09 0.00 0.00 58.65 58.04 3hri h GLN 215 Cb 1.72 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 29.24 3hri h GLN 215 CO 0.20 1.05 -0.65 1.79 0.09 0.00 0.00 178.83 181.31 3hri h THR 216 N 0.79 1.31 -1.23 1.86 1.35 -1.39 -2.21 112.91 113.39 3hri h THR 216 Ca 0.11 -1.90 0.38 0.00 -0.55 0.00 0.00 66.41 64.45 3hri h THR 216 Cb 0.73 1.87 -0.11 0.00 -1.73 0.00 0.00 68.15 68.91 3hri h THR 216 CO 0.06 0.60 0.80 0.58 -0.25 0.00 0.00 175.52 177.30 3hri h VAL 217 N 0.48 0.26 -3.54 6.82 2.07 -1.56 -3.33 116.25 117.45 3hri h VAL 217 Ca -0.01 -0.06 -0.60 0.00 0.82 0.00 0.00 66.70 66.85 3hri h VAL 217 Cb 1.23 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3hri h VAL 217 CO 0.13 0.03 0.58 -0.69 0.02 0.00 0.00 177.57 177.64 3hri s VAL 218 N -5.34 4.57 -0.46 2.57 1.01 -0.83 -5.04 120.40 116.87 3hri s VAL 218 Ca -0.08 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.00 3hri s VAL 218 Cb 0.28 -4.35 0.27 0.00 0.00 0.00 0.00 36.38 32.58 3hri s VAL 218 CO 0.81 -0.61 1.01 -0.62 0.00 0.00 0.00 175.10 175.69 3hri n GLU 219 N 6.85 0.78 0.01 2.72 1.02 -1.25 -4.96 120.64 125.81 3hri n GLU 219 Ca 0.06 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 3hri n GLU 219 Cb 0.48 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.20 0.26 -4.13 1.62 8.00 -1.26 -5.21 116.55 117.03 3hri n ASP 226 Ca 0.07 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 3hri n ASP 226 Cb 0.66 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3hri n ASP 226 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3hri n LYS 227 N -3.10 3.01 -0.08 -1.24 0.00 -1.26 -4.54 118.16 110.95 3hri n LYS 227 Ca 0.00 -2.92 -0.15 0.00 -0.00 0.00 0.00 58.31 55.24 3hri n LYS 227 Cb 0.35 -3.39 -0.07 0.00 -0.00 0.00 0.00 35.03 31.92 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 7.20 0.00 -0.39 5.58 7.35 -1.26 -4.70 117.46 131.23 3hri n PHE 228 Ca 0.51 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 57.52 3hri n PHE 228 Cb 0.42 -0.61 0.64 0.00 0.35 0.00 0.00 39.48 40.28 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 -0.34 2.75 -0.65 3.13 0.00 -1.97 0.61 119.26 122.80 3hri h ALA 229 Ca -0.40 0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.72 3hri h ALA 229 Cb 1.46 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3hri h ALA 229 CO -0.17 -1.22 0.46 -1.35 0.00 0.00 0.00 179.25 176.97 3hri h PRO 230 N 0.17 0.12 -0.14 0.00 0.11 -1.96 -2.95 132.00 127.35 3hri h PRO 230 Ca 0.69 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.60 3hri h PRO 230 Cb 2.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 33.30 3hri h PRO 230 CO -0.24 0.08 -0.69 0.28 -0.21 0.00 0.00 178.00 177.23 3hri h VAL 231 N 0.13 1.32 -0.83 3.15 2.07 -1.19 -3.27 116.25 117.63 3hri h VAL 231 Ca 0.31 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.88 3hri h VAL 231 Cb 1.07 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3hri h VAL 231 CO -0.04 0.61 0.54 0.00 0.02 0.00 0.00 177.57 178.71 3hri h VAL 233 N 1.10 0.52 0.00 0.00 2.07 -1.62 -3.00 116.25 115.32 3hri h VAL 233 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 3hri h VAL 233 Cb -0.09 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3hri h VAL 233 CO -0.08 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.13 3hri n ILE 234 N -3.86 0.00 -2.64 4.57 5.41 -1.19 -4.93 119.36 116.72 3hri n ILE 234 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3hri n ILE 234 Cb 0.21 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 3hri n ILE 234 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hri n VAL 235 N -0.82 0.00 0.00 1.39 0.31 -1.14 -5.09 118.33 112.99 3hri n VAL 235 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3hri n VAL 235 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3hri n VAL 235 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3hri n PRO 242 N 0.00 0.00 0.06 5.55 -0.04 -1.26 -5.13 135.00 134.18 3hri n PRO 242 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3hri n PRO 242 Cb 0.00 0.00 0.46 0.00 -0.04 0.00 0.00 33.50 33.92 3hri n PRO 242 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hri n ARG 243 N 0.16 0.16 0.04 0.54 1.74 -1.26 -3.79 116.66 114.26 3hri n ARG 243 Ca 0.00 0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 3hri n ARG 243 Cb 0.00 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.62 3hri n ARG 243 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 3hri h GLU 244 N 0.00 0.32 -0.18 5.56 4.11 -2.06 -3.28 114.58 119.04 3hri h GLU 244 Ca 0.00 -0.54 0.05 0.00 0.07 0.00 0.00 59.36 58.94 3hri h GLU 244 Cb 0.65 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3hri h GLU 244 CO 0.00 1.26 0.45 0.93 0.07 0.00 0.00 179.01 181.72 3hri h GLU 245 N -0.10 0.00 0.02 1.06 4.39 -2.03 0.79 114.58 118.71 3hri h GLU 245 Ca -0.32 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 3hri h GLU 245 Cb 1.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 3hri h GLU 245 CO 0.12 0.00 -0.01 0.28 -1.16 0.00 0.00 179.01 178.24 3hri h VAL 246 N 0.00 1.14 -1.01 3.13 2.07 -1.73 -3.37 116.25 116.48 3hri h VAL 246 Ca 0.09 -1.76 0.34 0.00 0.82 0.00 0.00 66.70 66.19 3hri h VAL 246 Cb 0.98 2.12 -0.16 0.00 -1.52 0.00 0.00 31.29 32.71 3hri h VAL 246 CO -0.00 0.37 0.57 0.58 0.02 0.00 0.00 177.57 179.11 3hri h VAL 247 N -0.97 0.24 -0.05 2.57 2.07 0.55 0.70 116.25 121.36 3hri h VAL 247 Ca -0.00 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 67.24 3hri h VAL 247 Cb 0.63 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3hri h VAL 247 CO 0.00 0.05 -0.78 0.00 0.02 0.00 0.00 177.57 176.86 3hri h ALA 248 N 1.88 0.56 0.00 1.67 0.00 -1.72 -0.96 119.26 120.69 3hri h ALA 248 Ca 0.76 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hri h ALA 248 Cb 1.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3hri h ALA 248 CO -0.64 0.79 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3hri n GLN 249 N -3.80 0.09 -0.09 0.00 0.00 0.23 -0.58 117.38 113.22 3hri n GLN 249 Ca -0.05 0.27 -0.18 0.00 0.00 0.00 0.00 57.00 57.05 3hri n GLN 249 Cb 0.74 -1.66 -0.09 0.00 0.00 0.00 0.00 30.24 29.22 3hri n GLN 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3hri h LEU 250 N 0.00 0.00 -0.98 2.61 3.38 -0.73 -3.41 115.31 116.18 3hri h LEU 250 Ca 0.00 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3hri h LEU 250 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hri h LEU 250 CO 0.00 1.30 -0.30 0.00 0.09 0.00 0.00 178.44 179.53 3hri h ALA 251 N -0.57 1.14 0.00 1.53 0.00 -1.17 -3.23 119.26 116.97 3hri h ALA 251 Ca -0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3hri h ALA 251 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hri h ALA 251 CO -0.15 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3hri n ALA 252 N -2.48 2.05 -1.04 0.00 0.00 0.25 -2.35 120.51 116.94 3hri n ALA 252 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.43 3hri n ALA 252 Cb 0.42 -1.29 0.18 0.00 0.00 0.00 0.00 19.45 18.76 3hri n ALA 252 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hri n ILE 253 N -1.17 2.01 -0.68 0.00 5.41 -1.22 -4.99 119.36 118.73 3hri n ILE 253 Ca 0.11 -2.14 0.00 0.00 1.00 0.00 0.00 62.75 61.72 3hri n ILE 253 Cb 0.11 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 3hri n ILE 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hri n GLY 254 N -1.14 0.67 2.92 7.39 0.00 -0.99 -5.11 105.19 108.93 3hri n GLY 254 Ca 0.18 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.93 1.87 0.69 0.99 1.02 -1.23 -5.07 118.68 116.02 3hri s LEU 255 Ca 0.00 -0.07 -0.11 0.00 0.02 0.00 0.00 54.13 53.97 3hri s LEU 255 Cb 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 46.19 45.99 3hri s LEU 255 CO 0.00 0.03 1.06 -0.70 0.02 0.00 0.00 176.35 176.76 3hri s GLU 256 N 0.10 2.99 0.20 1.70 2.56 -1.26 -4.44 118.70 120.56 3hri s GLU 256 Ca -0.01 0.75 -0.15 0.00 0.00 0.00 0.00 54.97 55.56 3hri s GLU 256 Cb -0.04 -2.01 0.21 0.00 2.00 0.00 0.00 34.13 34.29 3hri s GLU 256 CO -0.00 -1.00 1.62 1.03 -0.56 0.00 0.00 175.26 176.34 3hri h SER 257 N -0.64 -0.71 -1.07 -1.70 0.87 -2.00 -2.76 113.55 105.54 3hri h SER 257 Ca -0.45 0.20 0.33 0.00 -1.23 0.00 0.00 61.79 60.64 3hri h SER 257 Cb 1.22 0.43 -0.13 0.00 -0.44 0.00 0.00 62.40 63.47 3hri h SER 257 CO 0.60 -0.23 0.65 0.78 -0.53 0.00 0.00 176.83 178.09 3hri h ASN 258 N -0.04 0.46 0.71 6.23 4.21 -2.01 -0.33 115.58 124.81 3hri h ASN 258 Ca 0.29 0.16 -0.26 0.00 1.21 0.00 0.00 56.30 57.69 3hri h ASN 258 Cb 0.48 0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.79 3hri h ASN 258 CO -0.65 -0.10 -1.20 1.62 -1.29 0.00 0.00 177.43 175.81 3hri h VAL 259 N 0.30 1.53 -0.15 2.81 3.04 -1.87 -3.17 116.25 118.74 3hri h VAL 259 Ca 0.72 -3.14 -0.02 0.00 -1.01 0.00 0.00 66.70 63.26 3hri h VAL 259 Cb 1.81 2.91 -0.01 0.00 -2.01 0.00 0.00 31.29 33.99 3hri h VAL 259 CO -0.51 0.91 0.01 0.58 -1.01 0.00 0.00 177.57 177.55 3hri h VAL 260 N 0.06 1.09 -0.10 1.51 2.07 -1.04 -1.50 116.25 118.33 3hri h VAL 260 Ca -0.11 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 3hri h VAL 260 Cb 1.93 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3hri h VAL 260 CO 0.18 0.12 -0.54 -0.78 0.02 0.00 0.00 177.57 176.58 3hri h ASP 261 N 0.21 0.31 0.58 0.57 1.82 -1.40 -1.82 116.42 116.70 3hri h ASP 261 Ca 0.05 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 3hri h ASP 261 Cb 0.13 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.06 3hri h ASP 261 CO 0.00 0.79 -0.28 0.00 -1.61 0.00 0.00 179.24 178.14 3hri h ALA 262 N 1.22 -0.78 -0.53 -0.78 0.00 -1.32 -2.45 119.26 114.62 3hri h ALA 262 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3hri h ALA 262 Cb 1.01 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3hri h ALA 262 CO 0.09 -0.77 0.20 0.82 0.00 0.00 0.00 179.25 179.59 3hri h ILE 263 N -1.13 0.83 -0.41 0.00 2.04 -1.33 -1.65 117.51 115.86 3hri h ILE 263 Ca -0.08 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3hri h ILE 263 Cb 0.64 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3hri h ILE 263 CO 0.13 0.07 0.09 0.74 0.00 0.00 0.00 178.15 179.19 3hri h THR 264 N 0.39 1.23 0.00 -0.27 2.02 -1.43 -2.85 112.91 112.00 3hri h THR 264 Ca 0.26 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3hri h THR 264 Cb 0.27 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3hri h THR 264 CO -0.25 0.28 0.00 -1.54 0.37 0.00 0.00 175.52 174.38 3hri n SER 265 N -4.54 0.68 0.01 4.18 3.41 -0.92 -2.70 113.62 113.74 3hri n SER 265 Ca -0.00 0.59 -0.22 0.00 -0.26 0.00 0.00 58.87 58.98 3hri n SER 265 Cb 0.21 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.26 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 0.00 0.78 -0.61 6.66 1.35 -1.26 -3.30 112.91 116.53 3hri h THR 266 Ca 0.00 -2.37 0.17 0.00 -0.55 0.00 0.00 66.41 63.66 3hri h THR 266 Cb 0.62 2.56 -0.03 0.00 -1.73 0.00 0.00 68.15 69.57 3hri h THR 266 CO 0.00 0.80 0.43 -0.07 -0.25 0.00 0.00 175.52 176.44 3hri h LEU 267 N -0.09 0.04 -3.59 3.87 4.07 -1.52 -2.71 115.31 115.38 3hri h LEU 267 Ca -0.38 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.26 3hri h LEU 267 Cb 1.93 -0.01 -0.13 0.00 1.08 0.00 0.00 40.66 43.54 3hri h LEU 267 CO 0.07 0.02 0.36 -1.54 -1.08 0.00 0.00 178.44 176.27 3hri n SER 268 N -4.37 6.35 -4.13 -0.43 3.41 -1.10 -3.71 113.62 109.64 3hri n SER 268 Ca 0.11 -3.01 -0.25 0.00 -0.26 0.00 0.00 58.87 55.46 3hri n SER 268 Cb 0.65 -1.10 -0.16 0.00 -0.26 0.00 0.00 64.21 63.34 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 -1.66 1.93 0.00 1.04 1.43 -1.02 -5.00 118.68 115.39 3hri s LEU 269 Ca 0.33 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3hri s LEU 269 Cb 0.24 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3hri s LEU 269 CO -0.03 0.16 0.95 0.29 0.23 0.00 0.00 176.35 177.94 3hri n LYS 270 N 3.06 2.65 -4.05 1.70 4.01 -1.26 -2.64 118.16 121.63 3hri n LYS 270 Ca -0.17 -1.40 -0.13 0.00 -0.51 0.00 0.00 58.31 56.10 3hri n LYS 270 Cb 0.53 -0.97 -0.13 0.00 -0.51 0.00 0.00 35.03 33.95 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 -0.90 0.33 0.22 -0.18 -4.23 -1.26 -4.61 115.64 105.00 3hri s THR 271 Ca 0.00 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 3hri s THR 271 Cb 0.00 -0.36 0.18 0.00 1.34 0.00 0.00 72.50 73.66 3hri s THR 271 CO 0.00 -0.17 1.86 0.40 -0.54 0.00 0.00 174.62 176.17 3hri h ILE 272 N 4.81 1.23 -0.88 2.99 2.04 -1.95 -2.43 117.51 123.31 3hri h ILE 272 Ca -0.30 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.19 3hri h ILE 272 Cb 1.20 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3hri h ILE 272 CO 0.46 0.24 0.57 0.44 0.00 0.00 0.00 178.15 179.86 3hri h ASP 273 N 1.13 0.64 0.16 1.72 5.19 -1.98 0.18 116.42 123.46 3hri h ASP 273 Ca 0.29 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.68 3hri h ASP 273 Cb -0.04 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 3hri h ASP 273 CO -0.05 0.33 -0.24 -0.33 -3.12 0.00 0.00 179.24 175.82 3hri h GLU 274 N 0.68 0.16 0.01 3.56 5.08 -1.82 -0.12 114.58 122.13 3hri h GLU 274 Ca 0.44 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.49 3hri h GLU 274 Cb 0.72 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.98 3hri h GLU 274 CO -0.20 0.39 -1.06 0.82 -1.00 0.00 0.00 179.01 177.96 3hri h ILE 275 N 0.14 1.28 0.00 3.13 1.08 -0.63 -3.30 117.51 119.21 3hri h ILE 275 Ca 0.02 -2.26 -0.18 0.00 -0.39 0.00 0.00 64.86 62.05 3hri h ILE 275 Cb 0.51 2.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.65 3hri h ILE 275 CO 0.04 0.70 -0.83 0.00 -0.69 0.00 0.00 178.15 177.36 3hri h ALA 276 N 0.39 0.62 0.00 1.87 0.00 -1.07 -3.08 119.26 117.99 3hri h ALA 276 Ca -0.14 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3hri h ALA 276 Cb 1.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3hri h ALA 276 CO 0.21 1.00 0.00 0.94 0.00 0.00 0.00 179.25 181.40 3hri n GLN 277 N -3.58 0.92 0.00 0.00 7.27 -0.07 -4.88 117.38 117.04 3hri n GLN 277 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 3hri n GLN 277 Cb 0.79 -1.04 0.00 0.00 2.41 0.00 0.00 30.24 32.40 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 1.18 0.00 -0.18 3.69 5.12 -1.17 -4.98 116.66 120.32 3hri n ARG 278 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hri n ARG 278 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 3hri n ARG 278 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3hri n GLU 282 N 0.00 0.00 -2.70 5.56 -0.00 -1.26 -5.08 120.64 117.15 3hri n GLU 282 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.85 3hri n GLU 282 Cb 0.00 -2.42 -0.04 0.00 -0.00 0.00 0.00 31.44 28.98 3hri n GLU 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3hri s HIS 283 N -0.45 3.44 0.26 -1.84 5.04 -1.26 -4.86 115.29 115.62 3hri s HIS 283 Ca 0.00 1.27 -0.04 0.00 -1.54 0.00 0.00 55.06 54.74 3hri s HIS 283 Cb 0.00 -2.62 0.52 0.00 0.04 0.00 0.00 32.58 30.53 3hri s HIS 283 CO 0.00 -0.19 1.62 0.93 -2.34 0.00 0.00 174.74 174.76 3hri h GLU 284 N 1.27 0.09 -0.66 2.88 5.08 -2.00 0.14 114.58 121.38 3hri h GLU 284 Ca -0.47 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3hri h GLU 284 Cb 1.18 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 3hri h GLU 284 CO 0.63 0.06 0.43 0.00 -1.00 0.00 0.00 179.01 179.13 3hri h ALA 285 N 1.78 0.85 0.00 3.43 0.00 -1.93 -1.27 119.26 122.11 3hri h ALA 285 Ca 0.46 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.15 3hri h ALA 285 Cb 0.85 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3hri h ALA 285 CO -0.72 0.22 -1.23 -0.39 0.00 0.00 0.00 179.25 177.12 3hri h VAL 286 N 0.86 0.84 -0.28 0.00 -1.51 -1.82 -1.45 116.25 112.90 3hri h VAL 286 Ca 0.25 -2.43 0.04 0.00 -1.23 0.00 0.00 66.70 63.34 3hri h VAL 286 Cb -0.05 2.33 -0.04 0.00 -2.13 0.00 0.00 31.29 31.40 3hri h VAL 286 CO -0.08 0.48 0.03 0.03 -1.23 0.00 0.00 177.57 176.80 3hri h ARG 287 N 0.00 0.11 0.58 5.19 3.08 -0.86 -1.97 114.38 120.51 3hri h ARG 287 Ca -0.13 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3hri h ARG 287 Cb 1.67 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.70 3hri h ARG 287 CO 0.07 0.07 -0.28 0.93 -1.07 0.00 0.00 179.97 179.70 3hri h GLU 288 N 0.12 -0.75 -0.03 0.04 5.08 -1.21 -1.85 114.58 115.98 3hri h GLU 288 Ca 0.13 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3hri h GLU 288 Cb 0.16 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hri h GLU 288 CO -0.20 -0.45 0.02 -0.07 -1.00 0.00 0.00 179.01 177.31 3hri h LEU 289 N -0.92 0.00 0.06 1.33 3.38 -1.25 0.40 115.31 118.31 3hri h LEU 289 Ca -0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.62 3hri h LEU 289 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 3hri h LEU 289 CO 0.13 0.00 -1.18 0.03 0.09 0.00 0.00 178.44 177.51 3hri h ARG 290 N 0.00 0.33 -0.22 1.13 3.08 -1.33 -2.22 114.38 115.15 3hri h ARG 290 Ca 0.02 -0.50 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 3hri h ARG 290 Cb 0.06 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hri h ARG 290 CO -0.00 1.21 -0.27 0.22 -1.07 0.00 0.00 179.97 180.06 3hri h ASP 291 N 0.12 0.61 0.26 7.04 1.82 -0.28 -2.06 116.42 123.93 3hri h ASP 291 Ca -0.13 -0.50 -0.01 0.00 -0.39 0.00 0.00 57.03 56.00 3hri h ASP 291 Cb 1.88 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.71 3hri h ASP 291 CO 0.20 0.99 -0.21 0.15 -1.61 0.00 0.00 179.24 178.76 3hri h PHE 292 N 0.25 -0.57 -0.90 0.28 3.04 -0.33 0.94 116.94 119.66 3hri h PHE 292 Ca 0.03 0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.22 3hri h PHE 292 Cb 0.84 0.21 -0.15 0.00 2.56 0.00 0.00 35.95 39.41 3hri h PHE 292 CO 0.08 -0.29 0.18 -0.84 -2.02 0.00 0.00 178.31 175.42 3hri h ILE 293 N -0.45 0.23 0.50 1.41 -0.00 -1.49 0.16 117.51 117.87 3hri h ILE 293 Ca -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 64.86 64.76 3hri h ILE 293 Cb 0.38 0.08 -0.02 0.00 -0.00 0.00 0.00 36.82 37.26 3hri h ILE 293 CO 0.00 0.03 -0.50 0.74 -0.00 0.00 0.00 178.15 178.42 3hri h THR 294 N 0.14 0.03 -0.07 0.16 2.02 -1.11 -0.64 112.91 113.44 3hri h THR 294 Ca 0.56 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.78 3hri h THR 294 Cb 1.16 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3hri h THR 294 CO -0.72 0.00 -0.27 1.56 0.37 0.00 0.00 175.52 176.46 3hri h GLN 295 N -1.00 -0.35 -0.72 6.66 4.20 0.15 -0.73 115.11 123.32 3hri h GLN 295 Ca -0.06 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3hri h GLN 295 Cb 0.87 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.65 3hri h GLN 295 CO -0.06 -0.24 0.32 0.82 -0.67 0.00 0.00 178.83 179.01 3hri h ILE 296 N -0.37 0.77 -0.67 2.54 1.08 -0.64 0.62 117.51 120.85 3hri h ILE 296 Ca 0.08 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3hri h ILE 296 Cb 0.49 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3hri h ILE 296 CO -0.28 0.10 0.29 -0.33 -0.69 0.00 0.00 178.15 177.23 3hri h GLU 297 N 0.53 0.97 -0.36 2.37 5.08 -0.55 -1.39 114.58 121.24 3hri h GLU 297 Ca 0.37 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3hri h GLU 297 Cb 0.46 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3hri h GLU 297 CO -0.32 0.78 -0.09 0.00 -1.00 0.00 0.00 179.01 178.38 3hri h ALA 298 N 1.36 1.17 -0.00 3.43 0.00 0.54 -2.48 119.26 123.27 3hri h ALA 298 Ca 0.23 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3hri h ALA 298 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hri h ALA 298 CO -0.02 0.53 -0.65 -0.92 0.00 0.00 0.00 179.25 178.18 3hri h TYR 299 N 0.57 0.01 0.00 0.00 5.03 -0.79 -3.48 116.97 118.31 3hri h TYR 299 Ca 0.11 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.41 3hri h TYR 299 Cb 0.49 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.77 3hri h TYR 299 CO 0.02 0.66 0.00 0.41 -1.32 0.00 0.00 178.16 177.93 3hri n GLY 300 N 0.35 1.71 1.50 1.82 0.00 -0.68 -5.03 105.19 104.86 3hri n GLY 300 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 1.73 -0.27 1.61 3.72 -0.61 -4.76 117.46 118.75 3hri n PHE 301 Ca 0.00 -1.98 -0.06 0.00 -0.05 0.00 0.00 57.45 55.36 3hri n PHE 301 Cb 0.00 -0.45 0.05 0.00 -0.94 0.00 0.00 39.48 38.14 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 1.60 1.20 1.56 1.37 0.00 -1.81 -2.78 103.07 104.20 3hri h GLY 302 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hri h GLY 302 CO 0.56 0.63 0.00 1.22 0.00 0.00 0.00 176.54 178.95 3hri n ASP 303 N -4.31 0.00 -0.09 0.19 8.00 -1.26 -3.36 116.55 115.72 3hri n ASP 303 Ca 0.06 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 3hri n ASP 303 Cb 0.20 -0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 3hri n ASP 303 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3hri n TRP 304 N -1.28 0.30 -3.35 1.24 7.02 -1.05 -4.87 117.44 115.44 3hri n TRP 304 Ca 0.08 0.08 -0.30 0.00 -1.02 0.00 0.00 57.50 56.34 3hri n TRP 304 Cb 0.13 -1.05 -0.04 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 -2.52 4.99 -0.19 -0.99 -7.23 -1.21 0.05 120.40 113.29 3hri s VAL 305 Ca -0.19 0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 3hri s VAL 305 Cb 0.07 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.37 3hri s VAL 305 CO 0.75 -0.24 0.50 -0.51 -0.31 0.00 0.00 175.10 175.29 3hri s ILE 306 N -2.00 -0.00 0.26 -0.62 2.07 0.08 -4.89 121.20 116.10 3hri s ILE 306 Ca 0.45 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.43 3hri s ILE 306 Cb -0.11 -0.70 -0.09 0.00 0.13 0.00 0.00 42.46 41.69 3hri s ILE 306 CO 0.27 0.00 0.88 0.12 -1.91 0.00 0.00 174.94 174.30 3hri s PHE 307 N 0.28 3.79 -0.20 3.50 5.36 -1.26 -0.87 117.98 128.56 3hri s PHE 307 Ca -0.00 1.73 -0.08 0.00 -0.96 0.00 0.00 56.93 57.62 3hri s PHE 307 Cb -0.04 -2.86 0.09 0.00 -0.34 0.00 0.00 43.02 39.87 3hri s PHE 307 CO 0.01 0.34 0.44 0.34 -1.46 0.00 0.00 175.22 174.88 3hri s ASP 308 N -1.45 -0.37 0.00 6.13 -1.08 0.12 -4.65 116.67 115.37 3hri s ASP 308 Ca 0.45 1.04 0.29 0.00 -0.52 0.00 0.00 52.55 53.81 3hri s ASP 308 Cb -0.21 1.37 1.35 0.00 -1.46 0.00 0.00 42.92 43.97 3hri s ASP 308 CO 0.26 -0.23 1.93 0.00 0.52 0.00 0.00 175.17 177.65 3hri n ALA 309 N 5.25 2.70 0.60 3.66 0.00 -1.08 -3.70 120.51 127.95 3hri n ALA 309 Ca -0.11 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.17 3hri n ALA 309 Cb 0.50 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.88 2.62 -4.55 0.00 3.41 -1.24 -4.50 113.62 108.48 3hri n SER 310 Ca 0.16 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.45 3hri n SER 310 Cb 0.25 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.50 3.74 -0.13 -3.33 1.01 -1.24 -4.74 120.40 114.21 3hri s VAL 311 Ca 0.35 0.39 0.16 0.00 0.00 0.00 0.00 61.98 62.89 3hri s VAL 311 Cb 0.19 -4.91 0.40 0.00 0.00 0.00 0.00 36.38 32.06 3hri s VAL 311 CO 0.26 -1.84 1.19 1.33 0.00 0.00 0.00 175.10 176.04 3hri n VAL 312 N 6.37 1.37 -2.20 2.92 0.24 -1.26 -4.86 118.33 120.90 3hri n VAL 312 Ca 0.03 -2.33 -0.43 0.00 -2.04 0.00 0.00 64.34 59.57 3hri n VAL 312 Cb 0.49 0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.04 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 -2.01 3.66 -1.79 7.34 6.06 -1.26 -3.27 118.95 127.68 3hri s ARG 313 Ca 0.35 1.36 0.00 0.00 -2.50 0.00 0.00 55.73 54.94 3hri s ARG 313 Cb 0.36 -4.04 0.00 0.00 0.06 0.00 0.00 34.95 31.33 3hri s ARG 313 CO -0.10 -1.45 0.00 0.41 -2.50 0.00 0.00 175.30 171.66 3hri n GLY 314 N 4.87 0.03 0.22 8.12 0.00 -1.26 -4.86 105.19 112.31 3hri n GLY 314 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 3hri n GLY 314 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hri h LEU 315 N 0.00 0.00 -1.62 0.99 6.46 -1.87 0.14 115.31 119.41 3hri h LEU 315 Ca -0.46 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.37 3hri h LEU 315 Cb 1.34 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 3hri h LEU 315 CO 0.56 0.00 0.36 0.00 -0.62 0.00 0.00 178.44 178.74 3hri h ALA 316 N 2.09 1.90 -0.00 1.25 0.00 -1.88 -3.08 119.26 119.54 3hri h ALA 316 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hri h ALA 316 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hri h ALA 316 CO 0.00 0.01 -0.66 0.98 0.00 0.00 0.00 179.25 179.57 3hri n TYR 317 N -4.47 0.00 -2.67 0.00 9.36 0.49 -4.91 117.16 114.96 3hri n TYR 317 Ca 0.07 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.07 3hri n TYR 317 Cb 0.26 -0.15 0.09 0.00 -0.63 0.00 0.00 39.34 38.91 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 -2.96 1.71 0.00 2.98 1.51 -1.16 -4.80 117.35 114.63 3hri s TYR 318 Ca 0.11 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3hri s TYR 318 Cb 0.17 -2.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 3hri s TYR 318 CO 0.75 -1.51 0.00 2.41 -1.11 0.00 0.00 175.55 176.08 3hri n THR 319 N -2.68 0.00 0.00 -0.71 -1.04 0.16 -4.94 114.28 105.08 3hri n THR 319 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3hri n THR 319 Cb 0.61 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 2.46 3.57 3.76 3.41 0.00 -1.13 -4.52 105.19 112.73 3hri n GLY 320 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 3.59 2.94 0.21 -0.61 1.01 -1.26 -2.54 121.20 124.53 3hri s ILE 321 Ca 0.00 0.88 0.09 0.00 0.00 0.00 0.00 60.65 61.62 3hri s ILE 321 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3hri s ILE 321 CO 0.00 0.18 -0.18 0.68 0.00 0.00 0.00 174.94 175.63 3hri s VAL 322 N -0.70 1.96 0.22 2.92 -7.23 -0.79 -0.35 120.40 116.44 3hri s VAL 322 Ca 0.51 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 3hri s VAL 322 Cb -0.38 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 3hri s VAL 322 CO 0.46 -0.43 0.38 0.72 -0.31 0.00 0.00 175.10 175.93 3hri s PHE 323 N -2.47 0.47 -0.29 2.82 -0.12 0.39 -2.58 117.98 116.20 3hri s PHE 323 Ca 0.22 -0.81 0.02 0.00 -0.05 0.00 0.00 56.93 56.30 3hri s PHE 323 Cb -0.04 0.03 0.19 0.00 -0.63 0.00 0.00 43.02 42.57 3hri s PHE 323 CO 0.09 -0.88 0.59 -2.00 -0.05 0.00 0.00 175.22 172.96 3hri s GLU 324 N -4.02 0.56 0.47 1.99 2.12 -0.99 -2.62 118.70 116.20 3hri s GLU 324 Ca 0.23 0.81 -0.23 0.00 0.36 0.00 0.00 54.97 56.14 3hri s GLU 324 Cb 0.01 0.40 -0.08 0.00 0.26 0.00 0.00 34.13 34.72 3hri s GLU 324 CO 0.07 -0.78 1.16 0.41 -0.54 0.00 0.00 175.26 175.58 3hri n GLY 325 N 5.42 0.22 3.51 -1.50 0.00 -0.26 -2.11 105.19 110.47 3hri n GLY 325 Ca 0.01 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3hri n GLY 325 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hri s PHE 326 N -1.29 -0.60 0.22 1.61 -0.71 -0.32 -1.36 117.98 115.54 3hri s PHE 326 Ca 0.66 0.91 -0.19 0.00 -1.04 0.00 0.00 56.93 57.27 3hri s PHE 326 Cb -0.49 0.44 -0.08 0.00 -1.21 0.00 0.00 43.02 41.68 3hri s PHE 326 CO 0.54 -0.61 0.71 0.16 -1.34 0.00 0.00 175.22 174.68 3hri s ASP 327 N -1.47 7.03 0.34 1.98 3.84 -1.26 -0.33 116.67 126.80 3hri s ASP 327 Ca -0.07 1.39 0.18 0.00 -0.00 0.00 0.00 52.55 54.05 3hri s ASP 327 Cb -0.00 -2.41 0.17 0.00 -1.38 0.00 0.00 42.92 39.30 3hri s ASP 327 CO 0.05 0.03 1.51 0.03 -0.00 0.00 0.00 175.17 176.78 3hri h ARG 328 N 3.38 0.00 0.00 2.11 3.08 -0.82 -3.09 114.38 119.03 3hri h ARG 328 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3hri h ARG 328 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3hri h ARG 328 CO 0.65 0.30 0.00 -0.25 -1.07 0.00 0.00 179.97 179.61 3hri n ASP 329 N -3.18 0.00 -1.00 7.04 8.00 -1.26 -4.89 116.55 121.26 3hri n ASP 329 Ca 0.03 -1.41 -0.11 0.00 0.71 0.00 0.00 54.79 54.00 3hri n ASP 329 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3hri n ASP 329 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hri n GLY 330 N 0.66 0.82 0.10 0.44 0.00 -1.17 -4.91 105.19 101.13 3hri n GLY 330 Ca 0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3hri n GLY 330 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hri n ASN 331 N 0.07 1.06 -4.60 1.61 3.02 -1.26 -4.98 115.26 110.19 3hri n ASN 331 Ca -0.12 0.31 -0.26 0.00 -0.03 0.00 0.00 54.58 54.48 3hri n ASN 331 Cb 0.44 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.40 3hri n ASN 331 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hri s PHE 332 N -2.58 2.48 0.20 3.10 0.40 -1.26 -5.15 117.98 115.18 3hri s PHE 332 Ca -0.10 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.66 3hri s PHE 332 Cb 0.08 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 42.11 3hri s PHE 332 CO 0.81 0.50 0.13 2.89 0.70 0.00 0.00 175.22 180.25 3hri n ARG 333 N -0.91 -2.12 -2.38 0.44 -4.01 -1.26 -4.78 116.66 101.65 3hri n ARG 333 Ca -0.05 -0.22 -0.41 0.00 -1.04 0.00 0.00 57.85 56.13 3hri n ARG 333 Cb 0.64 -0.26 -0.03 0.00 -3.04 0.00 0.00 32.46 29.76 3hri n ARG 333 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3hri s ALA 334 N -2.29 3.43 -0.03 2.89 0.00 -1.26 -4.68 121.76 119.82 3hri s ALA 334 Ca 0.10 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 3hri s ALA 334 Cb -0.02 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3hri s ALA 334 CO 0.08 -0.37 0.47 -0.07 0.00 0.00 0.00 175.76 175.87 3hri h LEU 335 N 5.35 -0.27 -9.37 0.00 4.07 -1.57 -3.48 115.31 110.05 3hri h LEU 335 Ca -0.44 0.01 -0.53 0.00 0.08 0.00 0.00 57.88 57.00 3hri h LEU 335 Cb 1.21 0.07 -0.13 0.00 1.08 0.00 0.00 40.66 42.89 3hri h LEU 335 CO 0.75 0.03 -0.55 0.00 -1.08 0.00 0.00 178.44 177.59 3hri s GLY 337 N -3.57 -0.15 -0.01 0.00 0.00 -0.05 -1.10 107.32 102.44 3hri s GLY 337 Ca 0.28 2.42 -0.14 0.00 0.00 0.00 0.00 44.72 47.28 3hri s GLY 337 CO 0.14 1.38 0.63 0.61 0.00 0.00 0.00 173.10 175.86 3hri n GLY 338 N 1.29 0.43 0.87 0.20 0.00 -1.08 -0.10 105.19 106.80 3hri n GLY 338 Ca -0.10 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.45 0.35 3.68 -0.02 0.00 -0.57 -0.46 105.19 107.71 3hri n GLY 339 Ca 0.02 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 4.25 -0.48 1.61 3.52 0.52 -1.71 118.95 124.67 3hri s ARG 340 Ca 0.07 0.56 0.03 0.00 -0.13 0.00 0.00 55.73 56.26 3hri s ARG 340 Cb -0.00 -3.54 0.13 0.00 -1.56 0.00 0.00 34.95 29.98 3hri s ARG 340 CO -0.01 -0.12 0.23 1.52 -0.81 0.00 0.00 175.30 176.12 3hri s TYR 341 N 1.51 2.83 -0.34 5.12 -0.85 0.29 0.39 117.35 126.31 3hri s TYR 341 Ca 0.28 -2.90 0.27 0.00 -0.52 0.00 0.00 57.07 54.20 3hri s TYR 341 Cb -0.16 -2.52 0.88 0.00 0.38 0.00 0.00 41.96 40.54 3hri s TYR 341 CO 0.11 -0.77 1.78 -0.44 -1.52 0.00 0.00 175.55 174.70 3hri h ASP 342 N 6.70 0.00 -0.10 -0.18 3.32 -1.85 -3.06 116.42 121.25 3hri h ASP 342 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hri h ASP 342 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3hri h ASP 342 CO 0.61 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.72 3hri n ASN 343 N -2.77 1.88 -0.03 6.45 3.02 -1.26 -4.24 115.26 118.31 3hri n ASN 343 Ca 0.03 -1.67 -0.08 0.00 -0.03 0.00 0.00 54.58 52.83 3hri n ASN 343 Cb 0.38 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 2.74 -0.40 -0.28 3.41 5.85 -1.82 -1.63 115.31 123.18 3hri h LEU 344 Ca 0.00 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 3hri h LEU 344 Cb 0.59 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3hri h LEU 344 CO 0.00 -0.16 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.00 3hri h LEU 345 N -0.12 0.36 -1.06 2.25 3.38 -1.82 -3.17 115.31 115.12 3hri h LEU 345 Ca 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hri h LEU 345 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hri h LEU 345 CO -0.26 1.07 0.37 0.71 0.09 0.00 0.00 178.44 180.41 3hri h THR 346 N 0.16 1.23 -0.39 0.22 1.35 -1.69 -0.59 112.91 113.20 3hri h THR 346 Ca -0.05 -0.61 0.08 0.00 -0.55 0.00 0.00 66.41 65.28 3hri h THR 346 Cb 1.49 0.27 -0.09 0.00 -1.73 0.00 0.00 68.15 68.09 3hri h THR 346 CO 0.14 0.26 -0.26 0.74 -0.25 0.00 0.00 175.52 176.15 3hri h THR 347 N 1.03 0.33 -0.07 6.82 2.02 -1.28 -1.43 112.91 120.33 3hri h THR 347 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 3hri h THR 347 Cb 0.07 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3hri h THR 347 CO -0.04 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.63 3hri n TYR 348 N -5.40 0.21 -0.18 3.16 4.01 -0.96 -4.80 117.16 113.20 3hri n TYR 348 Ca 0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3hri n TYR 348 Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.18 1.48 3.71 2.72 0.00 -0.54 -5.07 105.19 107.68 3hri n GLY 349 Ca 0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.11 7.25 0.10 1.61 0.15 -0.27 -4.93 113.70 115.49 3hri s SER 350 Ca 0.00 1.84 -0.12 0.00 0.70 0.00 0.00 55.95 58.37 3hri s SER 350 Cb 0.00 -2.58 -0.17 0.00 -1.71 0.00 0.00 66.02 61.56 3hri s SER 350 CO 0.00 -0.34 1.27 1.55 1.20 0.00 0.00 173.24 176.93 3hri h PRO 351 N 6.64 0.75 -4.84 5.44 0.13 -1.91 -3.40 132.00 134.80 3hri h PRO 351 Ca -0.42 -0.68 -0.66 0.00 -0.87 0.00 0.00 66.00 63.38 3hri h PRO 351 Cb 1.22 0.16 -0.22 0.00 0.13 0.00 0.00 31.00 32.29 3hri h PRO 351 CO 0.77 1.27 -0.57 -0.08 -0.23 0.00 0.00 178.00 179.17 3hri s THR 352 N -3.58 4.65 0.26 1.56 -1.32 -1.26 -5.07 115.64 110.88 3hri s THR 352 Ca -0.10 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 3hri s THR 352 Cb 0.08 -3.30 -0.14 0.00 -1.51 0.00 0.00 72.50 67.64 3hri s THR 352 CO 0.91 0.16 1.27 0.00 -2.21 0.00 0.00 174.62 174.75 3hri n ALA 353 N 4.98 0.63 -3.56 11.08 0.00 -1.26 -4.84 120.51 127.55 3hri n ALA 353 Ca -0.14 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.45 3hri n ALA 353 Cb 0.50 -2.19 -0.17 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.49 1.09 0.64 0.00 1.01 -1.26 -5.09 120.40 116.30 3hri s VAL 354 Ca 0.64 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 3hri s VAL 354 Cb -0.67 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3hri s VAL 354 CO 0.55 0.35 1.23 -2.16 0.00 0.00 0.00 175.10 175.07 3hri s PRO 355 N 0.88 2.67 -0.24 2.72 0.04 -1.26 -4.64 135.00 135.17 3hri s PRO 355 Ca -0.11 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 3hri s PRO 355 Cb -0.15 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.57 3hri s PRO 355 CO 0.01 -1.45 0.60 0.00 0.04 0.00 0.00 177.00 176.20 3hri s VAL 357 N 1.31 1.23 0.04 0.00 1.01 -0.84 0.10 120.40 123.26 3hri s VAL 357 Ca -0.08 -1.26 -0.28 0.00 0.00 0.00 0.00 61.98 60.36 3hri s VAL 357 Cb -0.06 -1.15 0.10 0.00 0.00 0.00 0.00 36.38 35.27 3hri s VAL 357 CO -0.14 -0.12 1.18 -0.83 0.00 0.00 0.00 175.10 175.20 3hri s GLY 358 N -1.59 -0.31 0.15 4.51 0.00 -0.69 -0.35 107.32 109.03 3hri s GLY 358 Ca 0.01 0.43 -0.10 0.00 0.00 0.00 0.00 44.72 45.06 3hri s GLY 358 CO 0.02 0.59 0.28 -0.11 0.00 0.00 0.00 173.10 173.88 3hri s PHE 359 N -2.62 0.28 0.04 1.90 -0.12 -0.18 -1.51 117.98 115.78 3hri s PHE 359 Ca 0.15 -0.66 0.09 0.00 -0.05 0.00 0.00 56.93 56.46 3hri s PHE 359 Cb 0.02 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 3hri s PHE 359 CO -0.01 -0.69 -0.26 0.20 -0.05 0.00 0.00 175.22 174.41 3hri s GLY 360 N -2.93 1.42 -0.34 1.99 0.00 0.86 -2.39 107.32 105.93 3hri s GLY 360 Ca 0.13 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 3hri s GLY 360 CO -0.03 -1.14 0.15 -0.12 0.00 0.00 0.00 173.10 171.96 3hri s PHE 361 N -0.81 1.29 1.01 1.90 5.36 -0.02 -0.87 117.98 125.84 3hri s PHE 361 Ca 0.12 -1.68 -0.11 0.00 -0.96 0.00 0.00 56.93 54.30 3hri s PHE 361 Cb -0.10 -1.43 0.18 0.00 -0.34 0.00 0.00 43.02 41.33 3hri s PHE 361 CO 0.02 -0.84 1.00 0.41 -1.46 0.00 0.00 175.22 174.36 3hri n GLY 362 N 4.51 -1.11 0.88 13.12 0.00 -1.23 -1.42 105.19 119.94 3hri n GLY 362 Ca 0.02 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.15 3.18 -0.00 1.61 5.75 -0.89 -4.58 116.55 117.47 3hri n ASP 363 Ca 0.08 -1.95 -0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3hri n ASP 363 Cb 0.53 -0.28 -0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.03 0.98 -0.13 0.00 2.07 -1.92 0.11 116.25 117.33 3hri h VAL 365 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3hri h VAL 365 Cb 0.03 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3hri h VAL 365 CO 0.00 0.10 -0.09 0.40 0.02 0.00 0.00 177.57 177.99 3hri h ILE 366 N 0.52 1.15 -0.02 4.57 1.08 -1.84 -1.23 117.51 121.74 3hri h ILE 366 Ca 0.25 -0.64 -0.13 0.00 -0.39 0.00 0.00 64.86 63.95 3hri h ILE 366 Cb 0.32 1.16 0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3hri h ILE 366 CO -0.07 0.20 -0.50 0.58 -0.69 0.00 0.00 178.15 177.67 3hri h VAL 367 N 0.19 1.44 -0.56 1.67 2.07 -1.00 -0.13 116.25 119.93 3hri h VAL 367 Ca 0.04 -1.98 0.10 0.00 0.82 0.00 0.00 66.70 65.68 3hri h VAL 367 Cb 0.30 2.55 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 3hri h VAL 367 CO 0.02 0.57 0.09 -0.33 0.02 0.00 0.00 177.57 177.94 3hri h GLU 368 N -0.15 0.21 0.74 1.57 5.08 -1.16 0.18 114.58 121.04 3hri h GLU 368 Ca -0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3hri h GLU 368 Cb 1.20 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.41 3hri h GLU 368 CO 0.10 0.14 -0.35 1.25 -1.00 0.00 0.00 179.01 179.14 3hri h LEU 369 N 0.22 -0.84 -1.28 1.33 5.85 -1.23 -1.30 115.31 118.06 3hri h LEU 369 Ca 0.29 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.23 3hri h LEU 369 Cb 0.43 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 3hri h LEU 369 CO -0.40 -0.58 0.61 -0.07 -0.34 0.00 0.00 178.44 177.66 3hri h LEU 370 N -1.01 0.58 0.06 2.25 3.38 -0.61 0.22 115.31 120.18 3hri h LEU 370 Ca -0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hri h LEU 370 Cb 0.76 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hri h LEU 370 CO 0.17 0.21 -0.03 -1.13 0.09 0.00 0.00 178.44 177.75 3hri h ASN 371 N 0.57 -0.07 -0.70 -0.43 -1.24 -0.41 0.23 115.58 113.54 3hri h ASN 371 Ca 0.53 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.43 3hri h ASN 371 Cb 1.08 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.12 3hri h ASN 371 CO -0.27 0.05 0.38 -0.33 -1.29 0.00 0.00 177.43 175.96 3hri h GLU 372 N -0.18 0.99 -0.01 6.67 3.07 0.21 -1.94 114.58 123.38 3hri h GLU 372 Ca -0.01 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3hri h GLU 372 Cb 0.16 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3hri h GLU 372 CO 0.01 0.73 -0.00 0.36 -1.40 0.00 0.00 179.01 178.72 3hri n LYS 373 N -4.36 1.43 -3.09 2.33 -0.00 -0.69 -4.94 118.16 108.84 3hri n LYS 373 Ca 0.07 -0.63 -0.13 0.00 -0.00 0.00 0.00 58.31 57.62 3hri n LYS 373 Cb 0.11 -1.49 0.06 0.00 -0.00 0.00 0.00 35.03 33.71 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 -0.24 -4.96 -0.01 -1.58 5.02 -0.73 -5.64 118.16 110.03 3hri n LYS 374 Ca 0.21 0.59 0.05 0.00 -2.02 0.00 0.00 58.31 57.14 3hri n LYS 374 Cb 0.27 -4.87 0.04 0.00 -0.02 0.00 0.00 35.03 30.45 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 -3.35 1.83 -4.72 -0.35 4.77 0.75 -4.99 117.00 110.94 3hri n LEU 375 Ca -0.14 -1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 54.37 3hri n LEU 375 Cb 0.60 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 3hri n LEU 375 CO 0.44 0.36 0.70 -0.76 -1.33 0.00 0.00 177.39 176.80 3hri s LEU 376 N -0.79 4.45 0.54 2.23 1.43 -1.24 -4.93 118.68 120.38 3hri s LEU 376 Ca 0.11 1.80 -0.08 0.00 -1.03 0.00 0.00 54.13 54.93 3hri s LEU 376 Cb 0.08 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 3hri s LEU 376 CO 0.12 -0.17 0.90 -2.16 0.23 0.00 0.00 176.35 175.27 3hri s PRO 377 N 0.35 3.58 -1.05 1.29 0.04 -1.26 -5.02 135.00 132.93 3hri s PRO 377 Ca 0.50 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 3hri s PRO 377 Cb -0.24 -2.24 0.22 0.00 0.04 0.00 0.00 34.50 32.28 3hri s PRO 377 CO 0.30 -0.36 1.11 -1.21 0.04 0.00 0.00 177.00 176.87 3hri s GLU 378 N -4.90 3.96 0.20 4.56 0.41 -1.26 -5.03 118.70 116.64 3hri s GLU 378 Ca 0.51 -2.70 -0.25 0.00 -0.41 0.00 0.00 54.97 52.12 3hri s GLU 378 Cb -0.11 -4.70 -0.08 0.00 -1.78 0.00 0.00 34.13 27.47 3hri s GLU 378 CO 0.48 -1.45 0.81 -0.51 -0.49 0.00 0.00 175.26 174.10 3hri s LEU 379 N 0.26 4.53 0.03 1.80 1.43 -1.26 -5.06 118.68 120.41 3hri s LEU 379 Ca 0.31 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.13 3hri s LEU 379 Cb -0.08 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3hri s LEU 379 CO -0.07 0.14 -0.14 -1.00 0.23 0.00 0.00 176.35 175.51 3hri s HIS 380 N -1.27 1.25 0.01 0.29 3.76 -1.26 -5.06 115.29 113.00 3hri s HIS 380 Ca 0.39 -0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 3hri s HIS 380 Cb -0.22 -0.75 -0.07 0.00 1.11 0.00 0.00 32.58 32.65 3hri s HIS 380 CO 0.26 0.03 1.69 -1.58 -0.85 0.00 0.00 174.74 174.28 3hri s HIS 381 N -0.76 2.08 -0.00 1.40 2.46 -1.26 -5.01 115.29 114.20 3hri s HIS 381 Ca 0.02 0.17 0.05 0.00 0.47 0.00 0.00 55.06 55.77 3hri s HIS 381 Cb -0.07 -3.97 -0.01 0.00 -0.13 0.00 0.00 32.58 28.39 3hri s HIS 381 CO 0.01 -4.04 -0.15 0.08 -2.47 0.00 0.00 174.74 168.18 3hri s VAL 382 N 3.52 1.15 0.00 0.89 1.01 -1.26 -3.98 120.40 121.72 3hri s VAL 382 Ca 0.75 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3hri s VAL 382 Cb -0.37 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3hri s VAL 382 CO 0.32 0.27 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 3hri s VAL 383 N -0.43 0.79 0.06 2.92 1.01 -1.26 -4.98 120.40 118.51 3hri s VAL 383 Ca 0.05 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 3hri s VAL 383 Cb -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 36.38 35.52 3hri s VAL 383 CO -0.00 0.15 1.40 0.44 0.00 0.00 0.00 175.10 177.08 3hri h ASP 384 N 5.68 0.42 -3.95 3.32 3.32 -1.37 -3.29 116.42 120.56 3hri h ASP 384 Ca -0.32 -0.44 -0.42 0.00 0.02 0.00 0.00 57.03 55.87 3hri h ASP 384 Cb 1.18 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.31 3hri h ASP 384 CO 0.48 0.77 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.17 3hri s ASP 385 N -6.11 1.22 -0.26 6.45 1.01 -0.66 -1.04 116.67 117.28 3hri s ASP 385 Ca -0.14 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 3hri s ASP 385 Cb 0.06 -0.23 0.01 0.00 1.01 0.00 0.00 42.92 43.77 3hri s ASP 385 CO 0.76 0.10 0.00 -0.22 0.21 0.00 0.00 175.17 176.02 3hri s LEU 386 N -0.03 3.38 -0.13 1.23 2.96 0.02 -0.15 118.68 125.96 3hri s LEU 386 Ca 0.00 -0.68 -0.23 0.00 -0.22 0.00 0.00 54.13 53.01 3hri s LEU 386 Cb -0.06 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3hri s LEU 386 CO 0.00 -0.12 0.70 -0.69 -1.32 0.00 0.00 176.35 174.91 3hri s VAL 387 N 1.44 5.01 -0.27 1.68 1.01 -0.57 -1.25 120.40 127.44 3hri s VAL 387 Ca 0.03 1.38 -0.00 0.00 0.00 0.00 0.00 61.98 63.39 3hri s VAL 387 Cb -0.16 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.24 3hri s VAL 387 CO -0.01 0.17 -0.06 -0.63 0.00 0.00 0.00 175.10 174.56 3hri s ILE 388 N 1.40 2.66 0.25 2.22 1.01 0.94 -2.50 121.20 127.18 3hri s ILE 388 Ca 0.34 -1.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.35 3hri s ILE 388 Cb -0.17 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.73 3hri s ILE 388 CO 0.14 0.03 1.18 -2.84 0.00 0.00 0.00 174.94 173.45 3hri s PRO 389 N 1.23 4.53 0.21 2.79 0.02 -1.26 -0.20 135.00 142.31 3hri s PRO 389 Ca -0.05 1.91 -0.09 0.00 0.02 0.00 0.00 61.00 62.79 3hri s PRO 389 Cb -0.19 -3.19 0.16 0.00 0.02 0.00 0.00 34.50 31.31 3hri s PRO 389 CO -0.04 0.02 1.83 0.35 -0.33 0.00 0.00 177.00 178.84 3hri h PHE 390 N 4.33 1.07 -2.65 6.54 3.04 -1.88 -3.47 116.94 123.93 3hri h PHE 390 Ca -0.46 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.41 3hri h PHE 390 Cb 1.21 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 3hri h PHE 390 CO 0.60 0.74 0.08 -0.40 -2.02 0.00 0.00 178.31 177.31 3hri n ASP 391 N -4.44 -1.01 0.16 0.41 5.68 -1.26 -4.95 116.55 111.14 3hri n ASP 391 Ca 0.07 -1.84 0.13 0.00 -0.50 0.00 0.00 54.79 52.65 3hri n ASP 391 Cb 0.09 1.73 0.50 0.00 -1.14 0.00 0.00 41.12 42.30 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 -2.23 114.58 114.87 3hri h GLU 392 Ca -0.16 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 3hri h GLU 392 Cb 0.61 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3hri h GLU 392 CO 0.20 0.00 -0.43 1.79 -1.16 0.00 0.00 179.01 179.42 3hri h THR 393 N 0.00 0.93 -0.29 1.13 1.35 -1.99 -3.10 112.91 110.94 3hri h THR 393 Ca 0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 3hri h THR 393 Cb 0.46 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3hri h THR 393 CO 0.00 0.42 0.00 0.23 -0.25 0.00 0.00 175.52 175.92 3hri n MET 394 N -3.49 1.85 0.03 4.72 2.81 -0.84 -4.44 117.12 117.76 3hri n MET 394 Ca 0.00 -1.30 -0.13 0.00 -1.81 0.00 0.00 57.70 54.46 3hri n MET 394 Cb 0.56 -1.35 -0.09 0.00 -0.71 0.00 0.00 33.22 31.64 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 2.33 -0.05 -0.80 0.03 2.43 -1.60 -0.73 114.38 115.99 3hri h ARG 395 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 3hri h ARG 395 Cb 0.52 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 3hri h ARG 395 CO 0.00 0.25 0.36 -1.35 -1.51 0.00 0.00 179.97 177.72 3hri h PRO 396 N -0.34 0.51 -0.08 0.20 0.11 -1.83 0.23 132.00 130.80 3hri h PRO 396 Ca -0.00 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.91 3hri h PRO 396 Cb 0.31 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3hri h PRO 396 CO 0.01 0.34 -0.66 0.45 -0.21 0.00 0.00 178.00 177.93 3hri h HIS 397 N 0.52 0.45 0.37 0.65 3.86 -1.85 -1.78 115.15 117.37 3hri h HIS 397 Ca 0.44 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3hri h HIS 397 Cb 0.64 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 3hri h HIS 397 CO -0.13 0.90 -0.21 0.00 0.86 0.00 0.00 177.93 179.35 3hri h ALA 398 N 1.06 -0.54 -0.81 2.45 0.00 -0.02 -2.55 119.26 118.84 3hri h ALA 398 Ca -0.02 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 54.98 3hri h ALA 398 Cb 1.20 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 3hri h ALA 398 CO 0.11 -0.81 0.17 -0.07 0.00 0.00 0.00 179.25 178.64 3hri h LEU 399 N -0.55 -0.07 -1.59 0.00 3.38 -0.31 0.15 115.31 116.32 3hri h LEU 399 Ca -0.04 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hri h LEU 399 Cb 0.44 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hri h LEU 399 CO 0.06 -0.12 -0.05 0.77 0.09 0.00 0.00 178.44 179.19 3hri h SER 400 N 0.21 0.18 0.13 -0.43 4.64 -0.98 -1.14 113.55 116.16 3hri h SER 400 Ca 0.48 -0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 61.49 3hri h SER 400 Cb 0.90 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.96 3hri h SER 400 CO -0.61 0.27 -1.19 0.40 -0.87 0.00 0.00 176.83 174.82 3hri h ILE 401 N 0.20 1.29 -0.46 0.95 2.04 -0.40 -2.87 117.51 118.26 3hri h ILE 401 Ca 0.05 -2.43 0.09 0.00 1.00 0.00 0.00 64.86 63.56 3hri h ILE 401 Cb 0.22 2.62 -0.08 0.00 -0.74 0.00 0.00 36.82 38.84 3hri h ILE 401 CO 0.01 0.74 -0.02 0.25 0.00 0.00 0.00 178.15 179.13 3hri h LEU 402 N 0.30 -0.24 0.01 1.44 5.85 -0.32 0.11 115.31 122.46 3hri h LEU 402 Ca -0.17 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hri h LEU 402 Cb 1.86 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 43.05 3hri h LEU 402 CO 0.23 -0.08 -0.28 -0.09 -0.34 0.00 0.00 178.44 177.88 3hri h ARG 403 N 0.09 -0.41 -0.58 1.25 9.65 -1.26 -1.85 114.38 121.27 3hri h ARG 403 Ca 0.23 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.25 3hri h ARG 403 Cb 0.34 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 28.92 3hri h ARG 403 CO -0.40 -0.28 0.00 0.00 2.80 0.00 0.00 179.97 182.09 3hri h ARG 404 N -0.43 0.11 0.26 0.20 3.08 -1.05 0.29 114.38 116.84 3hri h ARG 404 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hri h ARG 404 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3hri h ARG 404 CO -0.23 0.08 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.55 3hri h LEU 405 N 0.12 -0.30 -1.15 3.04 3.38 -0.73 0.32 115.31 119.99 3hri h LEU 405 Ca 0.30 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hri h LEU 405 Cb 0.47 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3hri h LEU 405 CO -0.49 -0.07 0.23 0.03 0.09 0.00 0.00 178.44 178.23 3hri h ARG 406 N -0.52 0.83 -0.49 1.13 3.08 -1.09 -0.66 114.38 116.66 3hri h ARG 406 Ca -0.04 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 3hri h ARG 406 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3hri h ARG 406 CO 0.06 0.68 0.01 -0.44 -1.07 0.00 0.00 179.97 179.21 3hri h ASP 407 N 0.82 0.77 0.00 7.04 3.32 -0.24 -2.77 116.42 125.37 3hri h ASP 407 Ca 0.20 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hri h ASP 407 Cb 0.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3hri h ASP 407 CO -0.02 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 178.33 3hri n ALA 408 N -2.47 2.16 0.00 3.45 0.00 0.11 -4.84 120.51 118.91 3hri n ALA 408 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3hri n ALA 408 Cb 0.29 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.14 2.11 3.82 0.00 0.00 -1.04 -5.05 105.19 105.16 3hri n GLY 409 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.81 2.24 -0.24 1.61 0.52 -1.03 -4.99 118.95 116.25 3hri s ARG 410 Ca 0.00 0.64 -0.10 0.00 -0.52 0.00 0.00 55.73 55.74 3hri s ARG 410 Cb 0.00 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 3hri s ARG 410 CO 0.00 -1.51 0.15 -1.54 0.02 0.00 0.00 175.30 172.42 3hri s SER 411 N -3.96 6.04 0.22 0.23 1.04 -1.26 -4.09 113.70 111.93 3hri s SER 411 Ca 0.60 0.09 0.09 0.00 0.48 0.00 0.00 55.95 57.22 3hri s SER 411 Cb -0.14 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 3hri s SER 411 CO 0.54 0.06 -0.17 0.00 0.98 0.00 0.00 173.24 174.65 3hri s ALA 412 N 1.08 2.27 0.16 5.32 0.00 -1.26 -1.26 121.76 128.07 3hri s ALA 412 Ca 0.07 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.35 3hri s ALA 412 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hri s ALA 412 CO 0.05 0.18 0.06 -3.47 0.00 0.00 0.00 175.76 172.58 3hri n ASP 413 N -0.31 0.98 -3.70 0.00 -0.08 0.78 -4.94 116.55 109.29 3hri n ASP 413 Ca -0.08 -1.88 -0.11 0.00 -1.51 0.00 0.00 54.79 51.21 3hri n ASP 413 Cb 0.59 0.43 -0.06 0.00 2.34 0.00 0.00 41.12 44.43 3hri n ASP 413 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3hri s ILE 414 N -2.18 0.08 -0.16 5.18 2.07 -1.26 -1.52 121.20 123.40 3hri s ILE 414 Ca 0.09 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.38 3hri s ILE 414 Cb 0.00 -1.10 -0.00 0.00 0.13 0.00 0.00 42.46 41.49 3hri s ILE 414 CO 0.06 -0.36 1.03 -0.69 -1.91 0.00 0.00 174.94 173.07 3hri s VAL 415 N -3.26 4.72 -0.16 4.00 1.01 -1.04 -4.90 120.40 120.77 3hri s VAL 415 Ca -0.00 2.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.89 3hri s VAL 415 Cb 0.01 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3hri s VAL 415 CO -0.08 -0.08 -0.06 -0.26 0.00 0.00 0.00 175.10 174.62 3hri h PHE 416 N 7.27 0.00 -3.27 5.22 0.04 -2.00 -3.47 116.94 120.74 3hri h PHE 416 Ca -0.26 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.06 3hri h PHE 416 Cb 1.11 0.00 0.15 0.00 2.20 0.00 0.00 35.95 39.41 3hri h PHE 416 CO 0.73 0.39 0.33 -0.51 -0.60 0.00 0.00 178.31 178.66 3hri s ASP 417 N -6.02 3.21 -0.04 2.17 1.11 -1.26 -5.04 116.67 110.80 3hri s ASP 417 Ca -0.18 -0.06 -0.30 0.00 0.18 0.00 0.00 52.55 52.19 3hri s ASP 417 Cb 0.03 0.03 -0.04 0.00 1.07 0.00 0.00 42.92 44.00 3hri s ASP 417 CO 0.31 -2.65 1.29 -1.59 1.18 0.00 0.00 175.17 173.72 3hri s LYS 418 N -5.73 4.31 0.06 8.23 0.00 -1.26 -5.03 119.74 120.33 3hri s LYS 418 Ca 0.74 1.80 0.01 0.00 0.00 0.00 0.00 55.97 58.52 3hri s LYS 418 Cb -0.03 -3.58 -0.03 0.00 0.00 0.00 0.00 37.83 34.19 3hri s LYS 418 CO 0.51 -0.52 -0.05 0.15 0.00 0.00 0.00 175.35 175.44 3hri s LYS 419 N 2.40 0.61 0.71 1.78 -0.14 -1.26 -5.14 119.74 118.71 3hri s LYS 419 Ca 0.59 -1.06 -0.11 0.00 -1.36 0.00 0.00 55.97 54.03 3hri s LYS 419 Cb -0.27 -0.03 0.02 0.00 -1.68 0.00 0.00 37.83 35.86 3hri s LYS 419 CO 0.23 -0.04 1.09 -1.59 -0.76 0.00 0.00 175.35 174.28 3hri s LYS 420 N -3.01 2.80 0.05 1.68 -2.85 -1.26 -4.90 119.74 112.25 3hri s LYS 420 Ca 0.01 0.52 -0.22 0.00 -1.00 0.00 0.00 55.97 55.28 3hri s LYS 420 Cb 0.01 -2.01 -0.14 0.00 -2.06 0.00 0.00 37.83 33.63 3hri s LYS 420 CO -0.05 -1.09 1.51 -0.39 0.10 0.00 0.00 175.35 175.43 3hri h VAL 421 N -0.70 1.23 0.00 1.79 -1.51 -1.94 0.68 116.25 115.80 3hri h VAL 421 Ca -0.45 -0.72 -0.00 0.00 -1.23 0.00 0.00 66.70 64.29 3hri h VAL 421 Cb 1.25 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3hri h VAL 421 CO 0.63 0.21 -0.02 -0.37 -1.23 0.00 0.00 177.57 176.79 3hri h VAL 422 N -0.06 0.05 0.07 7.19 -1.51 -1.99 0.43 116.25 120.45 3hri h VAL 422 Ca 0.03 -0.46 -0.26 0.00 -1.23 0.00 0.00 66.70 64.79 3hri h VAL 422 Cb 0.31 1.44 0.02 0.00 -2.13 0.00 0.00 31.29 30.93 3hri h VAL 422 CO 0.00 0.02 -1.05 -0.61 -1.23 0.00 0.00 177.57 174.70 3hri h GLN 423 N 0.00 0.58 -0.55 5.19 4.15 -1.91 -2.98 115.11 119.59 3hri h GLN 423 Ca -0.00 -0.73 -0.03 0.00 0.77 0.00 0.00 58.65 58.66 3hri h GLN 423 Cb 0.43 0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 3hri h GLN 423 CO 0.00 1.31 0.22 0.00 -1.93 0.00 0.00 178.83 178.43 3hri h ALA 424 N 0.30 0.72 -0.51 3.38 0.00 0.15 -2.36 119.26 120.94 3hri h ALA 424 Ca -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3hri h ALA 424 Cb 1.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3hri h ALA 424 CO 0.20 0.33 0.13 0.74 0.00 0.00 0.00 179.25 180.66 3hri h PHE 425 N 0.75 0.78 -0.29 0.00 0.04 -0.37 -1.05 116.94 116.80 3hri h PHE 425 Ca 0.18 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3hri h PHE 425 Cb 0.20 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3hri h PHE 425 CO 0.01 0.66 0.16 -0.91 -0.60 0.00 0.00 178.31 177.62 3hri h ASN 426 N 0.74 0.24 -0.97 2.17 4.21 -1.33 -2.15 115.58 118.50 3hri h ASN 426 Ca 0.17 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.71 3hri h ASN 426 Cb 0.26 -0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 37.37 3hri h ASN 426 CO -0.00 0.18 0.64 0.22 -1.29 0.00 0.00 177.43 177.17 3hri h TYR 427 N 0.33 1.20 -0.01 1.19 3.20 -0.94 0.40 116.97 122.35 3hri h TYR 427 Ca 0.12 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3hri h TYR 427 Cb 0.02 -0.40 -0.05 0.00 1.54 0.00 0.00 36.73 37.84 3hri h TYR 427 CO -0.09 0.73 -0.31 0.00 -1.64 0.00 0.00 178.16 176.85 3hri h ALA 428 N 1.37 -0.44 -0.47 1.82 0.00 -0.73 -2.20 119.26 118.61 3hri h ALA 428 Ca 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3hri h ALA 428 Cb -0.09 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hri h ALA 428 CO -0.10 -0.82 -0.03 0.22 0.00 0.00 0.00 179.25 178.52 3hri h ASP 429 N -0.46 0.84 0.00 0.00 3.58 -1.09 -1.00 116.42 118.29 3hri h ASP 429 Ca 0.06 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3hri h ASP 429 Cb 0.55 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3hri h ASP 429 CO -0.27 0.96 0.00 0.54 -2.88 0.00 0.00 179.24 177.60 3hri n ARG 430 N -4.32 0.29 0.00 0.28 3.00 0.14 -3.24 116.66 112.81 3hri n ARG 430 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hri n ARG 430 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.35 3hri n ARG 430 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3hri n ILE 431 N -0.95 0.00 0.00 0.55 -6.64 -0.87 -5.01 119.36 106.44 3hri n ILE 431 Ca 0.06 -0.13 0.00 0.00 -1.77 0.00 0.00 62.75 60.91 3hri n ILE 431 Cb 0.03 1.03 0.00 0.00 -1.44 0.00 0.00 39.64 39.26 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 0.24 3.51 7.00 3.28 0.00 -1.12 -4.25 105.19 113.86 3hri n GLY 432 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.39 -4.35 120.51 120.38 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 -3.71 0.00 4.32 -1.25 -3.89 117.00 112.47 3hri n LEU 434 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 3hri n LEU 434 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 3hri n LEU 434 CO 0.00 0.00 0.06 -0.60 -1.22 0.00 0.00 177.39 175.63 3hri s ARG 435 N 0.00 0.41 0.17 3.23 3.52 -0.20 -2.87 118.95 123.20 3hri s ARG 435 Ca 0.00 0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 56.31 3hri s ARG 435 Cb 0.00 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.38 3hri s ARG 435 CO 0.00 -0.13 0.37 0.00 -0.81 0.00 0.00 175.30 174.73 3hri s ALA 436 N 1.10 3.82 -0.31 6.12 0.00 -0.26 -0.80 121.76 131.43 3hri s ALA 436 Ca -0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3hri s ALA 436 Cb -0.07 -2.05 0.10 0.00 0.00 0.00 0.00 23.12 21.10 3hri s ALA 436 CO -0.09 0.57 0.11 0.08 0.00 0.00 0.00 175.76 176.42 3hri s VAL 437 N -1.75 0.78 0.05 0.00 1.01 -0.38 -2.28 120.40 117.83 3hri s VAL 437 Ca 0.39 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3hri s VAL 437 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3hri s VAL 437 CO 0.27 -0.69 1.00 -0.22 0.00 0.00 0.00 175.10 175.46 3hri s LEU 438 N 1.63 4.42 -0.69 3.92 0.20 0.18 -0.04 118.68 128.30 3hri s LEU 438 Ca 0.10 1.76 0.05 0.00 0.69 0.00 0.00 54.13 56.73 3hri s LEU 438 Cb -0.17 -3.58 0.21 0.00 -0.43 0.00 0.00 46.19 42.21 3hri s LEU 438 CO -0.26 -0.22 0.62 0.52 -0.29 0.00 0.00 176.35 176.72 3hri n VAL 439 N 3.47 2.02 -3.94 1.68 0.31 0.72 -1.43 118.33 121.15 3hri n VAL 439 Ca 0.05 -5.04 -0.24 0.00 -0.01 0.00 0.00 64.34 59.10 3hri n VAL 439 Cb 0.50 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 3hri n VAL 439 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hri s ALA 440 N -1.91 3.95 0.09 3.52 0.00 -1.26 -3.26 121.76 122.90 3hri s ALA 440 Ca 0.31 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3hri s ALA 440 Cb 0.04 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.31 3hri s ALA 440 CO -0.10 0.42 1.48 -1.00 0.00 0.00 0.00 175.76 176.56 3hri h PRO 441 N 1.75 0.55 -0.63 0.00 0.13 -1.98 -1.59 132.00 130.25 3hri h PRO 441 Ca -0.50 -0.22 0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3hri h PRO 441 Cb 1.21 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3hri h PRO 441 CO 0.66 0.76 -0.22 -0.44 -0.23 0.00 0.00 178.00 178.52 3hri h ASP 442 N 0.31 -0.80 -0.15 1.44 5.19 -1.97 0.11 116.42 120.56 3hri h ASP 442 Ca 0.07 0.21 -0.21 0.00 -0.62 0.00 0.00 57.03 56.48 3hri h ASP 442 Cb 0.56 0.46 0.01 0.00 0.18 0.00 0.00 39.33 40.54 3hri h ASP 442 CO 0.03 -0.25 -0.71 -0.33 -3.12 0.00 0.00 179.24 174.86 3hri h GLU 443 N -0.06 0.78 -0.66 3.56 3.07 -1.80 -3.21 114.58 116.25 3hri h GLU 443 Ca 0.29 -0.59 -0.03 0.00 -0.50 0.00 0.00 59.36 58.52 3hri h GLU 443 Cb 0.51 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3hri h GLU 443 CO -0.67 1.21 0.28 2.35 -1.40 0.00 0.00 179.01 180.77 3hri h TRP 444 N 0.55 0.99 -0.62 4.33 2.91 -0.76 0.60 115.95 123.96 3hri h TRP 444 Ca -0.03 -0.07 0.09 0.00 1.13 0.00 0.00 58.89 60.01 3hri h TRP 444 Cb 1.32 -0.30 -0.07 0.00 -0.51 0.00 0.00 29.16 29.60 3hri h TRP 444 CO 0.08 0.77 0.24 0.00 -1.03 0.00 0.00 178.44 178.50 3hri h ALA 445 N 1.12 0.81 -0.12 2.65 0.00 -0.83 0.34 119.26 123.23 3hri h ALA 445 Ca 0.22 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hri h ALA 445 Cb 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hri h ALA 445 CO -0.02 -0.17 0.01 2.89 0.00 0.00 0.00 179.25 181.96 3hri n ARG 446 N -4.98 1.75 -3.24 0.00 0.00 -1.04 -4.87 116.66 104.28 3hri n ARG 446 Ca 0.09 -0.63 -0.16 0.00 -0.00 0.00 0.00 57.85 57.15 3hri n ARG 446 Cb 0.27 -1.63 0.07 0.00 -0.00 0.00 0.00 32.46 31.17 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 0.13 -0.21 3.19 2.89 0.00 0.11 -5.02 105.19 106.28 3hri n GLY 447 Ca 0.06 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.50 0.92 0.20 1.61 1.03 0.21 -4.37 118.70 112.79 3hri s GLU 448 Ca 0.21 -1.28 -0.00 0.00 0.03 0.00 0.00 54.97 53.92 3hri s GLU 448 Cb -0.09 0.28 -0.04 0.00 -0.80 0.00 0.00 34.13 33.48 3hri s GLU 448 CO 0.58 -0.28 0.09 0.14 -1.33 0.00 0.00 175.26 174.46 3hri s VAL 449 N -3.99 0.25 -0.24 1.83 -7.23 0.46 -2.36 120.40 109.12 3hri s VAL 449 Ca 0.17 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 3hri s VAL 449 Cb 0.06 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 3hri s VAL 449 CO -0.02 -0.15 0.00 -0.60 -0.31 0.00 0.00 175.10 174.02 3hri s ARG 450 N -4.07 3.42 -0.25 4.82 3.52 -0.51 -1.59 118.95 124.28 3hri s ARG 450 Ca 0.34 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 55.31 3hri s ARG 450 Cb 0.07 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.35 3hri s ARG 450 CO 0.09 -0.23 -0.07 0.08 -0.81 0.00 0.00 175.30 174.37 3hri s VAL 451 N 1.52 2.80 -0.24 7.11 1.01 -0.11 0.50 120.40 132.98 3hri s VAL 451 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3hri s VAL 451 Cb -0.15 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3hri s VAL 451 CO -0.01 0.18 -0.07 -0.54 0.00 0.00 0.00 175.10 174.67 3hri s LYS 452 N 1.30 2.90 -0.06 2.72 1.02 -0.96 -3.42 119.74 123.24 3hri s LYS 452 Ca -0.01 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 54.80 3hri s LYS 452 Cb -0.17 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3hri s LYS 452 CO -0.05 -0.37 0.78 -1.64 -0.92 0.00 0.00 175.35 173.15 3hri s MET 453 N 1.34 4.46 -0.96 1.68 -1.94 -1.26 -1.10 119.30 121.52 3hri s MET 453 Ca 0.01 1.02 -0.04 0.00 -1.71 0.00 0.00 55.69 54.97 3hri s MET 453 Cb -0.16 -3.46 0.13 0.00 2.01 0.00 0.00 34.83 33.35 3hri s MET 453 CO -0.05 0.01 2.46 1.28 -0.01 0.00 0.00 175.02 178.72 3hri n LEU 454 N 3.89 7.39 0.05 -0.03 4.32 -1.14 -5.00 117.00 126.48 3hri n LEU 454 Ca 0.01 -4.63 -0.20 0.00 -0.02 0.00 0.00 56.01 51.17 3hri n LEU 454 Cb 0.51 -1.28 -0.13 0.00 -1.62 0.00 0.00 43.42 40.90 3hri n LEU 454 CO 0.48 1.93 0.06 0.03 -1.22 0.00 0.00 177.39 178.68 3hri h ARG 455 N 3.90 0.43 0.00 3.23 3.08 -1.94 -3.44 114.38 119.65 3hri h ARG 455 Ca 0.57 -0.59 -0.22 0.00 0.07 0.00 0.00 59.98 59.80 3hri h ARG 455 Cb 0.44 0.20 0.04 0.00 0.08 0.00 0.00 29.97 30.74 3hri h ARG 455 CO 1.23 1.25 0.07 0.41 -1.07 0.00 0.00 179.97 181.85 3hri n GLY 468 N 1.42 0.54 3.27 0.04 0.00 -1.26 -5.15 105.19 104.05 3hri n GLY 468 Ca -0.13 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 3hri n GLY 468 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hri s ILE 469 N -1.45 -0.16 0.10 -0.61 -5.25 -1.22 -4.94 121.20 107.68 3hri s ILE 469 Ca 0.32 0.11 -0.25 0.00 -0.99 0.00 0.00 60.65 59.85 3hri s ILE 469 Cb -0.02 -0.62 -0.07 0.00 2.95 0.00 0.00 42.46 44.70 3hri s ILE 469 CO 0.21 0.05 0.76 -0.69 -1.79 0.00 0.00 174.94 173.48 3hri s VAL 470 N 1.67 4.56 0.03 8.37 1.01 -1.26 -0.93 120.40 133.85 3hri s VAL 470 Ca -0.08 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 3hri s VAL 470 Cb -0.09 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.21 3hri s VAL 470 CO -0.13 0.45 0.36 -0.76 0.00 0.00 0.00 175.10 175.02 3hri s LEU 471 N -0.64 0.64 0.04 3.92 1.43 -0.62 -4.94 118.68 118.51 3hri s LEU 471 Ca 0.37 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 3hri s LEU 471 Cb -0.22 1.52 -0.17 0.00 0.03 0.00 0.00 46.19 47.35 3hri s LEU 471 CO 0.24 -0.60 1.44 -0.65 0.23 0.00 0.00 176.35 177.01 3hri h PRO 472 N 3.27 -0.43 0.00 1.29 0.11 -1.89 0.13 132.00 134.49 3hri h PRO 472 Ca -0.31 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hri h PRO 472 Cb 1.19 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hri h PRO 472 CO 0.43 -0.17 -0.52 1.33 -0.21 0.00 0.00 178.00 178.86 3hri n VAL 473 N -5.20 0.00 0.00 3.15 0.24 -1.26 -4.64 118.33 110.62 3hri n VAL 473 Ca -0.10 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3hri n VAL 473 Cb 0.25 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 3hri n VAL 473 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16