#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hri s VAL 48 N 0.00 2.08 -0.21 1.12 -7.23 -1.26 -4.89 120.40 110.02 3hri s VAL 48 Ca 0.00 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.91 3hri s VAL 48 Cb 0.00 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3hri s VAL 48 CO 0.00 -0.03 1.83 -1.83 -0.31 0.00 0.00 175.10 174.76 3hri s GLU 49 N -4.55 3.60 0.40 4.82 1.03 -1.26 -4.83 118.70 117.90 3hri s GLU 49 Ca 0.68 1.82 0.22 0.00 0.03 0.00 0.00 54.97 57.72 3hri s GLU 49 Cb -0.24 -4.16 0.54 0.00 -0.80 0.00 0.00 34.13 29.47 3hri s GLU 49 CO 0.62 -1.55 1.66 1.79 -1.33 0.00 0.00 175.26 176.46 3hri h THR 50 N 6.44 0.47 -4.37 1.83 1.35 -2.09 -3.45 112.91 113.08 3hri h THR 50 Ca -0.37 -1.39 -0.50 0.00 -0.55 0.00 0.00 66.41 63.59 3hri h THR 50 Cb 1.19 2.01 0.09 0.00 -1.73 0.00 0.00 68.15 69.71 3hri h THR 50 CO 0.99 0.23 0.38 -1.61 -0.25 0.00 0.00 175.52 175.27 3hri s GLU 51 N -3.32 2.80 0.79 4.72 2.02 -1.26 -5.07 118.70 119.37 3hri s GLU 51 Ca 0.03 0.67 -0.11 0.00 0.02 0.00 0.00 54.97 55.58 3hri s GLU 51 Cb 0.08 -2.00 0.07 0.00 0.10 0.00 0.00 34.13 32.38 3hri s GLU 51 CO 0.67 -1.12 1.15 -1.25 0.02 0.00 0.00 175.26 174.73 3hri s PRO 52 N -5.20 2.08 -0.33 0.39 0.04 -1.26 -4.99 135.00 125.72 3hri s PRO 52 Ca 0.58 0.10 -0.42 0.00 0.04 0.00 0.00 61.00 61.30 3hri s PRO 52 Cb -0.13 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 3hri s PRO 52 CO 0.54 -1.49 1.74 0.28 0.04 0.00 0.00 177.00 178.10 3hri n VAL 53 N -3.23 0.24 -0.97 -0.36 0.31 -1.26 -4.78 118.33 108.27 3hri n VAL 53 Ca 0.08 -0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 3hri n VAL 53 Cb 0.61 -1.08 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 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 5.25 0.00 0.00 5.55 -0.06 -1.26 -0.99 117.38 125.87 3hri n GLN 54 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 3hri n GLN 54 Cb 0.09 -0.93 0.00 0.00 -4.06 0.00 0.00 30.24 25.34 3hri n GLN 54 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hri n GLY 55 N 1.32 1.91 3.68 1.69 0.00 -1.26 -4.94 105.19 107.58 3hri n GLY 55 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.79 3.18 0.44 0.00 0.52 -1.26 -4.72 118.95 114.32 3hri s ARG 57 Ca 0.27 -0.60 -0.21 0.00 -0.52 0.00 0.00 55.73 54.67 3hri s ARG 57 Cb -0.10 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.60 3hri s ARG 57 CO 0.19 0.40 0.97 -0.51 0.02 0.00 0.00 175.30 176.37 3hri s ASP 58 N -0.11 6.83 -0.63 0.23 1.01 -1.26 -5.02 116.67 117.72 3hri s ASP 58 Ca 0.00 1.76 0.06 0.00 0.71 0.00 0.00 52.55 55.07 3hri s ASP 58 Cb -0.13 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.47 3hri s ASP 58 CO 0.03 -0.44 0.63 0.49 0.21 0.00 0.00 175.17 176.09 3hri n PHE 59 N -0.64 2.96 -1.15 4.23 3.01 -1.26 -4.94 117.46 119.67 3hri n PHE 59 Ca 0.07 -4.12 -0.31 0.00 1.01 0.00 0.00 57.45 54.11 3hri n PHE 59 Cb 0.53 -0.52 0.11 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.93 1.86 0.42 -1.08 0.04 -1.26 -4.31 135.00 128.75 3hri s PRO 60 Ca 0.34 1.17 0.23 0.00 0.04 0.00 0.00 61.00 62.79 3hri s PRO 60 Cb 0.09 -1.85 1.22 0.00 0.04 0.00 0.00 34.50 34.00 3hri s PRO 60 CO -0.08 -1.92 1.74 -1.35 0.04 0.00 0.00 177.00 175.43 3hri h PRO 61 N -1.33 0.27 0.24 0.56 0.11 -1.98 0.42 132.00 130.29 3hri h PRO 61 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hri h PRO 61 Cb 1.25 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hri h PRO 61 CO 0.50 0.18 -0.27 1.05 -0.21 0.00 0.00 178.00 179.25 3hri h GLU 62 N 0.28 -0.54 -0.26 1.05 4.11 -1.99 -2.68 114.58 114.56 3hri h GLU 62 Ca 0.65 0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.92 3hri h GLU 62 Cb 1.83 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.21 3hri h GLU 62 CO -0.30 -0.36 -0.60 1.15 0.07 0.00 0.00 179.01 178.97 3hri h THR 63 N -0.56 1.28 0.00 -1.06 2.02 -0.66 -3.12 112.91 110.81 3hri h THR 63 Ca -0.00 -1.78 -0.00 0.00 0.77 0.00 0.00 66.41 65.39 3hri h THR 63 Cb 0.53 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3hri h THR 63 CO -0.08 0.58 -0.01 -0.03 0.37 0.00 0.00 175.52 176.35 3hri h MET 64 N 0.64 0.00 -0.10 6.66 -1.53 -0.67 -2.63 114.93 117.30 3hri h MET 64 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 3hri h MET 64 Cb 1.21 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.25 3hri h MET 64 CO 0.13 0.01 0.03 -0.09 0.14 0.00 0.00 176.91 177.13 3hri h ARG 65 N 0.00 0.16 -0.37 0.39 2.43 -1.41 0.35 114.38 115.93 3hri h ARG 65 Ca -0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3hri h ARG 65 Cb 0.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hri h ARG 65 CO 0.00 0.31 0.05 1.25 -1.51 0.00 0.00 179.97 180.07 3hri h LEU 66 N -0.02 0.52 -0.23 3.80 5.85 -1.59 -0.95 115.31 122.69 3hri h LEU 66 Ca 0.03 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3hri h LEU 66 Cb 0.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hri h LEU 66 CO -0.00 0.55 0.02 -0.09 -0.34 0.00 0.00 178.44 178.58 3hri h ARG 67 N 0.54 0.39 0.00 1.25 2.43 -1.21 -2.42 114.38 115.37 3hri h ARG 67 Ca 0.12 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3hri h ARG 67 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hri h ARG 67 CO 0.00 0.56 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.62 3hri h LYS 68 N 0.18 0.00 0.01 0.20 3.64 -0.58 -0.50 116.57 119.52 3hri h LYS 68 Ca 0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hri h LYS 68 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hri h LYS 68 CO 0.01 0.18 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.44 3hri h TYR 69 N 0.00 -0.01 -0.17 1.91 3.20 -1.05 0.64 116.97 121.48 3hri h TYR 69 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hri h TYR 69 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3hri h TYR 69 CO 0.00 0.33 0.08 1.25 -1.64 0.00 0.00 178.16 178.18 3hri h LEU 70 N -0.36 0.22 -1.00 2.82 5.85 -0.95 -2.72 115.31 119.17 3hri h LEU 70 Ca -0.00 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 3hri h LEU 70 Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3hri h LEU 70 CO 0.00 0.29 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.93 3hri h PHE 71 N 0.13 0.54 -0.01 1.25 -1.00 -1.14 -1.62 116.94 115.10 3hri h PHE 71 Ca 0.06 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.74 3hri h PHE 71 Cb 0.13 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 3hri h PHE 71 CO -0.02 0.66 0.01 -0.44 -1.61 0.00 0.00 178.31 176.91 3hri h ASP 72 N 0.44 0.00 0.50 2.17 5.19 -0.55 0.17 116.42 124.34 3hri h ASP 72 Ca 0.07 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.26 3hri h ASP 72 Cb 0.60 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 3hri h ASP 72 CO 0.04 0.00 -0.97 0.58 -3.12 0.00 0.00 179.24 175.77 3hri h VAL 73 N 0.00 1.46 -0.01 -1.35 2.07 -1.13 -1.80 116.25 115.49 3hri h VAL 73 Ca 0.01 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 64.87 3hri h VAL 73 Cb 0.04 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3hri h VAL 73 CO -0.00 0.78 -0.00 -0.26 0.02 0.00 0.00 177.57 178.11 3hri h PHE 74 N 0.15 0.02 -0.14 1.57 0.04 -0.31 -1.76 116.94 116.51 3hri h PHE 74 Ca -0.07 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3hri h PHE 74 Cb 1.63 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.77 3hri h PHE 74 CO 0.05 0.41 0.08 0.45 -0.60 0.00 0.00 178.31 178.70 3hri h HIS 75 N -0.38 0.19 -0.51 -0.55 3.86 -0.93 -1.87 115.15 114.96 3hri h HIS 75 Ca 0.00 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3hri h HIS 75 Cb 0.41 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3hri h HIS 75 CO 0.06 0.20 0.07 1.03 0.86 0.00 0.00 177.93 180.15 3hri h SER 76 N 0.13 0.83 -0.61 2.45 0.87 -1.35 -0.78 113.55 115.08 3hri h SER 76 Ca 0.05 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 3hri h SER 76 Cb 0.07 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3hri h SER 76 CO -0.01 0.89 0.23 0.74 -0.53 0.00 0.00 176.83 178.15 3hri h THR 77 N 0.74 1.23 0.00 2.23 2.02 -1.33 -1.80 112.91 116.00 3hri h THR 77 Ca 0.15 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3hri h THR 77 Cb 0.42 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3hri h THR 77 CO 0.01 0.29 -0.03 0.00 0.37 0.00 0.00 175.52 176.16 3hri h ALA 78 N 1.09 1.05 0.13 6.16 0.00 -0.71 -1.31 119.26 125.66 3hri h ALA 78 Ca 0.20 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 3hri h ALA 78 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hri h ALA 78 CO -0.01 0.04 -1.73 -0.09 0.00 0.00 0.00 179.25 177.45 3hri h ARG 79 N 0.00 0.27 -0.58 0.00 2.43 -0.72 1.78 114.38 117.56 3hri h ARG 79 Ca -0.00 -0.46 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3hri h ARG 79 Cb 0.34 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hri h ARG 79 CO 0.00 1.14 -0.03 0.87 -1.51 0.00 0.00 179.97 180.44 3hri h LYS 80 N 0.07 1.05 0.00 0.20 1.57 -0.95 -2.75 116.57 115.76 3hri h LYS 80 Ca -0.32 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 3hri h LYS 80 Cb 2.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.27 3hri h LYS 80 CO 0.14 1.05 0.00 1.19 -0.57 0.00 0.00 179.45 181.26 3hri n PHE 81 N -4.19 0.00 -2.57 -1.35 0.99 -0.53 -4.91 117.46 104.90 3hri n PHE 81 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.43 3hri n PHE 81 Cb 0.36 -0.15 0.01 0.00 -1.00 0.00 0.00 39.48 38.70 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 1.13 0.56 3.88 1.37 0.00 -1.04 -5.06 105.19 106.03 3hri n GLY 82 Ca 0.19 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.87 3.58 -0.05 1.61 0.40 0.60 -4.86 117.98 116.40 3hri s PHE 83 Ca 0.09 0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 56.97 3hri s PHE 83 Cb -0.04 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 3hri s PHE 83 CO 0.11 0.59 0.24 -1.21 0.70 0.00 0.00 175.22 175.66 3hri s GLU 84 N -1.78 3.60 0.15 0.44 2.02 -0.59 -4.46 118.70 118.07 3hri s GLU 84 Ca 0.29 0.02 -0.23 0.00 0.02 0.00 0.00 54.97 55.07 3hri s GLU 84 Cb -0.13 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 3hri s GLU 84 CO 0.16 0.72 0.71 -2.00 0.02 0.00 0.00 175.26 174.88 3hri s GLU 85 N -1.26 4.44 0.24 1.61 2.12 -1.26 -1.06 118.70 123.52 3hri s GLU 85 Ca 0.21 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.60 3hri s GLU 85 Cb -0.14 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 3hri s GLU 85 CO 0.10 0.57 -0.02 1.52 -0.54 0.00 0.00 175.26 176.89 3hri s TYR 86 N -1.18 1.64 0.14 5.30 -0.85 0.19 -4.91 117.35 117.68 3hri s TYR 86 Ca 0.35 -0.86 -0.13 0.00 -0.52 0.00 0.00 57.07 55.91 3hri s TYR 86 Cb -0.21 -0.94 0.02 0.00 0.38 0.00 0.00 41.96 41.20 3hri s TYR 86 CO 0.24 0.05 0.35 0.34 -1.52 0.00 0.00 175.55 175.00 3hri s ASP 87 N -3.33 -0.10 0.32 -0.18 2.15 -1.26 -4.42 116.67 109.86 3hri s ASP 87 Ca 0.28 -0.55 -0.06 0.00 0.43 0.00 0.00 52.55 52.65 3hri s ASP 87 Cb 0.05 0.46 0.01 0.00 -0.30 0.00 0.00 42.92 43.13 3hri s ASP 87 CO 0.09 -0.88 0.50 -0.94 -0.17 0.00 0.00 175.17 173.78 3hri s SER 88 N -2.87 0.59 0.81 -0.34 1.04 -1.26 -5.14 113.70 106.53 3hri s SER 88 Ca 0.08 -1.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.07 3hri s SER 88 Cb 0.02 0.66 0.08 0.00 0.10 0.00 0.00 66.02 66.89 3hri s SER 88 CO -0.07 -1.30 1.12 -2.84 0.98 0.00 0.00 173.24 171.14 3hri s PRO 89 N -3.20 1.83 0.45 4.02 0.02 -1.26 -4.91 135.00 131.95 3hri s PRO 89 Ca 0.27 1.39 0.25 0.00 0.02 0.00 0.00 61.00 62.93 3hri s PRO 89 Cb -0.01 -1.83 0.59 0.00 0.02 0.00 0.00 34.50 33.27 3hri s PRO 89 CO 0.17 -2.00 1.69 -0.39 -0.33 0.00 0.00 177.00 176.14 3hri h VAL 90 N -1.23 0.10 -3.62 3.83 -1.51 -1.94 -3.43 116.25 108.45 3hri h VAL 90 Ca -0.44 -0.99 -0.69 0.00 -1.23 0.00 0.00 66.70 63.35 3hri h VAL 90 Cb 1.25 1.91 -0.21 0.00 -2.13 0.00 0.00 31.29 32.11 3hri h VAL 90 CO 0.48 0.05 -0.48 -0.22 -1.23 0.00 0.00 177.57 176.16 3hri s LEU 91 N -6.25 4.65 0.35 4.19 2.96 -1.26 -1.80 118.68 121.52 3hri s LEU 91 Ca 0.05 -0.67 0.08 0.00 -0.22 0.00 0.00 54.13 53.37 3hri s LEU 91 Cb 0.06 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.58 3hri s LEU 91 CO 0.64 -0.31 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.70 3hri s GLU 92 N 1.66 1.80 0.27 1.98 0.41 -0.61 -4.94 118.70 119.27 3hri s GLU 92 Ca 0.05 -1.95 -0.30 0.00 -0.41 0.00 0.00 54.97 52.35 3hri s GLU 92 Cb -0.18 -1.54 -0.11 0.00 -1.78 0.00 0.00 34.13 30.53 3hri s GLU 92 CO 0.09 0.05 1.52 0.45 -0.49 0.00 0.00 175.26 176.88 3hri s SER 93 N -3.60 6.52 0.18 -0.19 0.15 -1.26 -0.66 113.70 114.84 3hri s SER 93 Ca 0.33 2.79 -0.15 0.00 0.70 0.00 0.00 55.95 59.63 3hri s SER 93 Cb 0.05 -2.63 0.15 0.00 -1.71 0.00 0.00 66.02 61.89 3hri s SER 93 CO 0.16 -0.80 1.68 -0.08 1.20 0.00 0.00 173.24 175.40 3hri h GLU 94 N 5.03 0.09 -0.79 5.44 4.81 -1.80 -1.67 114.58 125.69 3hri h GLU 94 Ca -0.46 -0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.06 3hri h GLU 94 Cb 1.22 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.44 3hri h GLU 94 CO 0.79 0.06 0.31 0.39 -0.73 0.00 0.00 179.01 179.82 3hri n GLU 95 N -5.24 -0.05 -0.34 1.92 -0.58 -1.26 -1.34 120.64 113.75 3hri n GLU 95 Ca 0.04 1.11 0.08 0.00 -0.42 0.00 0.00 57.16 57.97 3hri n GLU 95 Cb 0.25 -1.93 0.25 0.00 -0.57 0.00 0.00 31.44 29.43 3hri n GLU 95 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3hri h LEU 96 N 0.00 0.77 0.05 -4.62 5.85 -1.68 -2.33 115.31 113.35 3hri h LEU 96 Ca 0.61 0.07 -0.36 0.00 0.84 0.00 0.00 57.88 59.05 3hri h LEU 96 Cb 1.54 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 3hri h LEU 96 CO -0.64 0.37 -2.11 -1.22 -0.34 0.00 0.00 178.44 174.49 3hri n TYR 97 N -4.73 0.74 0.24 1.25 4.01 -0.45 -3.83 117.16 114.38 3hri n TYR 97 Ca 0.19 0.19 0.07 0.00 -0.16 0.00 0.00 57.90 58.19 3hri n TYR 97 Cb 0.42 -1.11 0.61 0.00 -0.31 0.00 0.00 39.34 38.94 3hri n TYR 97 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 3hri h ILE 98 N 0.03 1.03 0.00 -0.72 2.10 -1.47 0.30 117.51 118.77 3hri h ILE 98 Ca -0.45 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 65.37 3hri h ILE 98 Cb 2.02 1.02 -0.00 0.00 -1.09 0.00 0.00 36.82 38.77 3hri h ILE 98 CO 0.04 0.03 -0.08 -0.09 -1.08 0.00 0.00 178.15 176.97 3hri h ARG 99 N 0.03 0.00 0.06 2.19 2.43 -1.55 -0.44 114.38 117.10 3hri h ARG 99 Ca 0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hri h ARG 99 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3hri h ARG 99 CO 0.00 0.08 -0.03 0.87 -1.51 0.00 0.00 179.97 179.38 3hri h LYS 100 N 0.00 -0.08 0.00 0.20 1.57 -0.55 -3.44 116.57 114.27 3hri h LYS 100 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hri h LYS 100 Cb 0.70 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3hri h LYS 100 CO 0.01 -0.06 -1.18 0.00 -0.57 0.00 0.00 179.45 177.66 3hri n ALA 101 N -2.51 2.94 0.00 3.86 0.00 -0.59 -5.12 120.51 119.09 3hri n ALA 101 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3hri n ALA 101 Cb 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.58 1.45 0.41 0.00 0.00 -0.17 -4.75 105.19 103.70 3hri n GLY 102 Ca -0.00 -2.06 0.22 0.00 0.00 0.00 0.00 46.02 44.17 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 0.06 -0.78 1.61 5.08 -1.95 -2.93 114.58 115.67 3hri h GLU 103 Ca 0.00 -0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 3hri h GLU 103 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3hri h GLU 103 CO 0.00 0.04 0.56 1.05 -1.00 0.00 0.00 179.01 179.66 3hri h GLU 104 N 0.06 0.03 0.00 2.33 4.11 -1.95 -0.98 114.58 118.17 3hri h GLU 104 Ca 0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3hri h GLU 104 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hri h GLU 104 CO -0.02 0.02 0.00 -0.84 0.07 0.00 0.00 179.01 178.23 3hri h ILE 105 N 0.03 0.00 0.00 -1.06 3.07 -1.84 -3.18 117.51 114.52 3hri h ILE 105 Ca 0.37 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 66.20 3hri h ILE 105 Cb 1.46 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 3hri h ILE 105 CO -0.01 0.00 0.00 0.71 -1.05 0.00 0.00 178.15 177.80 3hri h THR 106 N 0.00 0.00 0.00 0.16 1.35 -1.40 0.02 112.91 113.05 3hri h THR 106 Ca 0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hri h THR 106 Cb 0.69 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3hri h THR 106 CO 0.00 0.00 -1.05 -0.62 -0.25 0.00 0.00 175.52 173.60 3hri n GLU 107 N -2.97 0.61 -1.31 4.72 1.02 -1.20 -4.28 120.64 117.22 3hri n GLU 107 Ca -0.03 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.93 3hri n GLU 107 Cb 0.07 -1.81 0.11 0.00 -0.02 0.00 0.00 31.44 29.79 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 -2.66 2.55 -3.61 3.49 6.02 -0.01 -4.91 117.38 118.25 3hri n GLN 108 Ca -0.00 -3.24 -0.09 0.00 -0.01 0.00 0.00 57.00 53.66 3hri n GLN 108 Cb 0.55 -2.23 0.02 0.00 1.02 0.00 0.00 30.24 29.60 3hri n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hri n MET 109 N -0.99 1.02 -3.25 -1.09 0.00 -1.20 -3.40 117.12 108.21 3hri n MET 109 Ca 0.60 -2.14 -0.46 0.00 0.00 0.00 0.00 57.70 55.71 3hri n MET 109 Cb 1.02 2.59 -0.05 0.00 0.00 0.00 0.00 33.22 36.78 3hri n MET 109 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3hri s PHE 110 N -2.68 3.18 0.17 3.17 0.40 -1.26 -4.67 117.98 116.29 3hri s PHE 110 Ca 0.16 -1.20 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 3hri s PHE 110 Cb -0.04 -3.86 -0.04 0.00 0.51 0.00 0.00 43.02 39.59 3hri s PHE 110 CO 0.12 -1.10 0.33 -0.80 0.70 0.00 0.00 175.22 174.47 3hri s ASN 111 N 3.61 6.37 0.14 1.36 0.01 -1.26 -2.28 114.94 122.89 3hri s ASN 111 Ca 0.05 0.30 -0.24 0.00 -0.71 0.00 0.00 52.86 52.26 3hri s ASN 111 Cb -0.28 -1.97 0.08 0.00 0.41 0.00 0.00 41.25 39.49 3hri s ASN 111 CO 0.04 0.02 1.05 0.72 -1.51 0.00 0.00 177.10 177.42 3hri s PHE 112 N -1.78 -0.01 0.15 2.20 -0.12 -0.69 -5.00 117.98 112.73 3hri s PHE 112 Ca 0.37 -0.31 0.11 0.00 -0.05 0.00 0.00 56.93 57.05 3hri s PHE 112 Cb -0.11 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3hri s PHE 112 CO 0.29 -0.79 -0.25 0.42 -0.05 0.00 0.00 175.22 174.84 3hri s ILE 113 N -2.59 2.23 0.00 -4.49 1.09 -1.26 -1.26 121.20 114.93 3hri s ILE 113 Ca 0.18 -1.85 0.00 0.00 -1.10 0.00 0.00 60.65 57.88 3hri s ILE 113 Cb -0.01 -2.00 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 3hri s ILE 113 CO 0.03 -0.01 0.00 0.35 -0.10 0.00 0.00 174.94 175.21 3hri n THR 114 N 0.67 0.00 -1.49 2.92 -2.24 -1.26 -5.00 114.28 107.88 3hri n THR 114 Ca -0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3hri n THR 114 Cb 0.54 -0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.07 -1.44 -3.56 4.78 -0.00 -1.26 -5.19 115.22 106.48 3hri n HIS 118 Ca 0.00 0.85 -0.38 0.00 -0.00 0.00 0.00 57.72 58.20 3hri n HIS 118 Cb 0.42 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.85 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 -1.45 3.89 0.06 1.57 0.52 -1.26 -5.01 118.95 117.27 3hri s ARG 119 Ca -0.02 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.45 3hri s ARG 119 Cb 0.00 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 3hri s ARG 119 CO 0.05 0.64 0.06 0.14 0.02 0.00 0.00 175.30 176.21 3hri s VAL 120 N -0.85 0.18 0.08 3.52 -7.23 -0.39 -2.63 120.40 113.08 3hri s VAL 120 Ca 0.22 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3hri s VAL 120 Cb -0.16 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3hri s VAL 120 CO 0.11 -0.81 0.05 0.00 -0.31 0.00 0.00 175.10 174.14 3hri s ALA 121 N -3.58 0.37 -0.22 1.32 0.00 0.16 -1.70 121.76 118.12 3hri s ALA 121 Ca 0.03 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 3hri s ALA 121 Cb 0.05 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 3hri s ALA 121 CO -0.09 -0.43 0.80 -0.51 0.00 0.00 0.00 175.76 175.53 3hri s LEU 122 N -2.93 4.11 0.29 0.00 1.43 -0.96 -1.57 118.68 119.05 3hri s LEU 122 Ca 0.10 1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 3hri s LEU 122 Cb 0.07 -3.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.02 3hri s LEU 122 CO -0.08 -0.45 1.54 0.00 0.23 0.00 0.00 176.35 177.59 3hri s ARG 123 N 2.53 4.16 0.21 1.70 1.70 -0.74 -4.39 118.95 124.11 3hri s ARG 123 Ca 0.35 2.51 0.21 0.00 -0.47 0.00 0.00 55.73 58.33 3hri s ARG 123 Cb -0.16 -3.04 0.02 0.00 -0.57 0.00 0.00 34.95 31.21 3hri s ARG 123 CO 0.09 -0.57 1.10 -1.00 -1.08 0.00 0.00 175.30 173.85 3hri h PRO 124 N 4.66 0.00 -3.31 3.89 0.13 -1.92 0.46 132.00 135.90 3hri h PRO 124 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 3hri h PRO 124 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.15 3hri h PRO 124 CO 0.77 0.11 -0.41 -1.83 -0.23 0.00 0.00 178.00 176.42 3hri s GLU 125 N -3.20 0.54 0.25 0.86 -1.05 -1.26 -4.45 118.70 110.40 3hri s GLU 125 Ca 0.00 -0.28 0.17 0.00 -0.15 0.00 0.00 54.97 54.71 3hri s GLU 125 Cb 0.08 0.23 0.06 0.00 -0.44 0.00 0.00 34.13 34.07 3hri s GLU 125 CO 0.77 -0.14 1.32 1.98 0.95 0.00 0.00 175.26 180.15 3hri h MET 126 N 4.19 0.00 -0.23 -4.83 1.85 -1.95 -3.39 114.93 110.58 3hri h MET 126 Ca -0.30 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 58.84 3hri h MET 126 Cb 1.19 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.17 3hri h MET 126 CO 0.40 0.36 -0.09 1.15 -0.40 0.00 0.00 176.91 178.33 3hri h THR 127 N 0.00 0.69 -0.86 -0.77 2.02 -2.00 -1.93 112.91 110.05 3hri h THR 127 Ca -0.03 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.36 3hri h THR 127 Cb 1.35 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3hri h THR 127 CO 0.05 0.00 0.59 -0.65 0.37 0.00 0.00 175.52 175.88 3hri h PRO 128 N -0.06 0.27 0.00 6.66 0.11 -1.95 0.79 132.00 137.81 3hri h PRO 128 Ca 0.12 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 3hri h PRO 128 Cb 0.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3hri h PRO 128 CO -0.27 0.18 -0.65 0.77 -0.21 0.00 0.00 178.00 177.82 3hri h SER 129 N 0.27 0.00 0.74 -2.05 0.02 -1.62 -1.47 113.55 109.44 3hri h SER 129 Ca 0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.35 3hri h SER 129 Cb 1.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 3hri h SER 129 CO -0.12 0.65 -0.36 0.25 -1.14 0.00 0.00 176.83 176.11 3hri h LEU 130 N 0.00 -0.84 -0.99 5.07 5.85 -0.58 -1.81 115.31 122.01 3hri h LEU 130 Ca -0.01 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.89 3hri h LEU 130 Cb 1.29 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 3hri h LEU 130 CO 0.08 -0.57 0.60 0.00 -0.34 0.00 0.00 178.44 178.21 3hri h ALA 131 N -0.81 1.56 -0.26 1.25 0.00 -1.25 0.38 119.26 120.14 3hri h ALA 131 Ca -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hri h ALA 131 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hri h ALA 131 CO 0.17 0.05 0.13 -0.09 0.00 0.00 0.00 179.25 179.51 3hri h ARG 132 N 0.84 0.37 -0.54 0.00 2.43 -1.26 -2.02 114.38 114.20 3hri h ARG 132 Ca 0.53 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.56 3hri h ARG 132 Cb 0.71 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3hri h ARG 132 CO -0.33 0.36 -0.04 1.96 -1.51 0.00 0.00 179.97 180.41 3hri h GLN 133 N 0.29 0.97 0.14 0.20 4.20 -0.16 0.63 115.11 121.38 3hri h GLN 133 Ca 0.09 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3hri h GLN 133 Cb 0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hri h GLN 133 CO -0.01 1.00 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.01 3hri h LEU 134 N 0.85 -0.16 -1.86 1.46 3.38 -1.02 -2.14 115.31 115.82 3hri h LEU 134 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hri h LEU 134 Cb 0.58 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hri h LEU 134 CO 0.03 -0.06 0.01 -0.07 0.09 0.00 0.00 178.44 178.45 3hri h LEU 135 N -0.25 0.08 -1.17 1.67 3.38 -1.18 0.95 115.31 118.79 3hri h LEU 135 Ca -0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3hri h LEU 135 Cb 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hri h LEU 135 CO 0.03 0.10 0.08 0.00 0.09 0.00 0.00 178.44 178.74 3hri h ALA 136 N 1.92 1.33 0.00 1.53 0.00 -0.63 -3.06 119.26 120.34 3hri h ALA 136 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3hri h ALA 136 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hri h ALA 136 CO -0.00 0.47 -0.50 0.87 0.00 0.00 0.00 179.25 180.09 3hri h LYS 137 N 0.64 0.00 0.00 0.00 1.57 -0.22 -3.49 116.57 115.06 3hri h LYS 137 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hri h LYS 137 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hri h LYS 137 CO 0.00 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 3hri n GLY 138 N 1.21 3.11 0.00 3.86 0.00 -0.20 -2.21 105.19 110.96 3hri n GLY 138 Ca 0.01 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3hri n GLY 138 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hri n ARG 139 N 13.97 0.06 0.00 1.61 -4.01 -1.26 -2.88 116.66 124.15 3hri n ARG 139 Ca 0.00 0.15 0.14 0.00 -1.04 0.00 0.00 57.85 57.10 3hri n ARG 139 Cb 0.00 -1.50 0.59 0.00 -3.04 0.00 0.00 32.46 28.51 3hri n ARG 139 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3hri n SER 140 N -1.45 0.27 -4.63 2.89 3.41 -0.94 -4.78 113.62 108.39 3hri n SER 140 Ca 0.06 -0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.06 3hri n SER 140 Cb 0.21 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3hri n SER 140 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hri s LEU 141 N -2.70 3.85 -0.33 1.04 0.20 -1.14 -4.95 118.68 114.66 3hri s LEU 141 Ca 0.23 1.16 -0.29 0.00 0.69 0.00 0.00 54.13 55.92 3hri s LEU 141 Cb 0.19 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.41 3hri s LEU 141 CO 0.52 -1.11 1.57 -1.48 -0.29 0.00 0.00 176.35 175.55 3hri s LEU 142 N 4.47 3.67 0.01 -0.68 2.34 -1.26 -5.00 118.68 122.24 3hri s LEU 142 Ca 0.57 1.22 -0.07 0.00 0.06 0.00 0.00 54.13 55.90 3hri s LEU 142 Cb -0.16 -3.53 -0.05 0.00 -0.56 0.00 0.00 46.19 41.89 3hri s LEU 142 CO 0.24 -1.43 0.28 -0.76 -1.06 0.00 0.00 176.35 173.62 3hri s LEU 143 N 5.69 4.37 0.08 1.48 1.43 -1.26 -3.76 118.68 126.71 3hri s LEU 143 Ca 0.69 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 54.09 3hri s LEU 143 Cb -0.20 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 3hri s LEU 143 CO 0.31 0.25 0.87 -2.16 0.23 0.00 0.00 176.35 175.84 3hri s PRO 144 N -1.77 4.60 -0.18 1.29 0.04 -1.26 -5.08 135.00 132.63 3hri s PRO 144 Ca 0.28 1.26 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 3hri s PRO 144 Cb -0.13 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3hri s PRO 144 CO 0.16 0.24 0.03 0.00 0.04 0.00 0.00 177.00 177.48 3hri s ALA 145 N -0.02 3.26 -0.45 8.56 0.00 0.01 -4.94 121.76 128.19 3hri s ALA 145 Ca 0.43 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 3hri s ALA 145 Cb -0.22 -1.83 0.12 0.00 0.00 0.00 0.00 23.12 21.19 3hri s ALA 145 CO 0.26 0.11 0.26 0.15 0.00 0.00 0.00 175.76 176.54 3hri s LYS 146 N 0.51 2.15 -0.12 0.00 1.02 -1.26 -0.64 119.74 121.40 3hri s LYS 146 Ca 0.01 -1.93 -0.00 0.00 0.02 0.00 0.00 55.97 54.07 3hri s LYS 146 Cb -0.13 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3hri s LYS 146 CO 0.01 -1.10 -0.11 -1.58 -0.92 0.00 0.00 175.35 171.65 3hri s TRP 147 N 0.98 2.85 0.14 3.18 0.52 -0.04 -1.55 118.94 125.01 3hri s TRP 147 Ca 0.09 -0.50 0.06 0.00 0.02 0.00 0.00 56.10 55.78 3hri s TRP 147 Cb -0.23 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 3hri s TRP 147 CO -0.04 -0.11 -0.15 1.52 0.02 0.00 0.00 176.95 178.19 3hri s TYR 148 N 0.19 1.49 0.14 -1.98 1.13 -0.23 -0.15 117.35 117.94 3hri s TYR 148 Ca -0.06 -0.55 -0.14 0.00 -1.41 0.00 0.00 57.07 54.90 3hri s TYR 148 Cb -0.15 -0.76 0.02 0.00 -1.10 0.00 0.00 41.96 39.97 3hri s TYR 148 CO 0.05 0.19 0.37 -1.54 -2.51 0.00 0.00 175.55 172.11 3hri s SER 149 N -2.58 -0.14 -0.51 -0.18 1.04 -1.21 -0.64 113.70 109.48 3hri s SER 149 Ca 0.11 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.13 3hri s SER 149 Cb -0.04 0.47 0.34 0.00 0.10 0.00 0.00 66.02 66.89 3hri s SER 149 CO 0.04 -0.88 0.88 -0.38 0.98 0.00 0.00 173.24 173.88 3hri n ILE 150 N -0.22 2.02 -1.77 -1.02 5.41 -1.26 -0.80 119.36 121.72 3hri n ILE 150 Ca -0.13 -5.25 -0.33 0.00 1.00 0.00 0.00 62.75 58.04 3hri n ILE 150 Cb 0.63 -1.02 0.04 0.00 -0.71 0.00 0.00 39.64 38.58 3hri n ILE 150 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hri s PRO 151 N -3.14 2.88 0.08 0.38 0.04 -1.20 -4.53 135.00 129.52 3hri s PRO 151 Ca 0.46 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 3hri s PRO 151 Cb 0.30 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 3hri s PRO 151 CO -0.12 -1.17 0.65 -1.14 0.04 0.00 0.00 177.00 175.26 3hri s GLN 152 N -4.21 4.35 0.15 4.56 0.74 -1.26 -1.78 119.66 122.21 3hri s GLN 152 Ca 0.65 0.88 0.08 0.00 0.05 0.00 0.00 55.36 57.02 3hri s GLN 152 Cb -0.19 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 3hri s GLN 152 CO 0.42 0.52 -0.18 0.00 -0.55 0.00 0.00 175.29 175.51 3hri s TRP 154 N -1.95 1.22 -0.09 0.00 0.52 0.16 -2.63 118.94 116.17 3hri s TRP 154 Ca 0.13 -0.50 -0.01 0.00 0.02 0.00 0.00 56.10 55.75 3hri s TRP 154 Cb -0.06 -1.01 0.03 0.00 -1.15 0.00 0.00 33.47 31.27 3hri s TRP 154 CO 0.06 -0.35 -0.03 0.50 0.02 0.00 0.00 176.95 177.14 3hri s ARG 155 N 1.25 0.98 -0.28 4.98 3.52 -0.59 -3.20 118.95 125.61 3hri s ARG 155 Ca -0.04 -0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.22 3hri s ARG 155 Cb -0.14 -1.20 -0.01 0.00 -1.56 0.00 0.00 34.95 32.04 3hri s ARG 155 CO -0.02 -0.28 1.47 -0.47 -0.81 0.00 0.00 175.30 175.19 3hri s TYR 156 N 1.81 2.37 0.23 5.12 5.04 -1.22 -4.02 117.35 126.69 3hri s TYR 156 Ca 0.04 0.70 -0.03 0.00 -2.44 0.00 0.00 57.07 55.34 3hri s TYR 156 Cb -0.12 -3.99 0.01 0.00 0.35 0.00 0.00 41.96 38.21 3hri s TYR 156 CO -0.06 -2.31 0.35 0.39 -1.34 0.00 0.00 175.55 172.58 3hri n GLU 157 N 7.58 0.51 -2.50 4.97 -0.58 -1.26 -4.44 120.64 124.92 3hri n GLU 157 Ca 0.17 -1.75 -0.29 0.00 -0.42 0.00 0.00 57.16 54.87 3hri n GLU 157 Cb 0.46 1.76 -0.01 0.00 -0.57 0.00 0.00 31.44 33.08 3hri n GLU 157 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hri s ALA 158 N -2.24 3.31 -0.24 0.62 0.00 -1.26 -4.86 121.76 117.09 3hri s ALA 158 Ca 0.17 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 3hri s ALA 158 Cb -0.01 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 3hri s ALA 158 CO 0.12 -0.36 -0.33 -0.89 0.00 0.00 0.00 175.76 174.30 3hri n ILE 159 N -2.16 1.45 1.74 0.00 -0.00 -1.26 -4.42 119.36 114.71 3hri n ILE 159 Ca 0.02 -0.23 0.11 0.00 -0.00 0.00 0.00 62.75 62.65 3hri n ILE 159 Cb 0.55 -1.97 0.63 0.00 -0.00 0.00 0.00 39.64 38.85 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 -4.23 0.00 -3.27 1.39 -2.24 -1.26 -3.90 114.28 100.77 3hri n THR 160 Ca -0.42 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.01 3hri n THR 160 Cb 0.77 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.88 3.39 0.00 -0.78 3.00 -1.26 -5.01 116.66 115.12 3hri n ARG 161 Ca 0.16 -4.60 0.00 0.00 -0.01 0.00 0.00 57.85 53.40 3hri n ARG 161 Cb 0.07 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.14 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 1.25 1.58 3.67 -0.13 0.00 -1.25 -4.84 105.19 105.47 3hri n GLY 162 Ca 0.27 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.30 -0.26 1.61 0.52 -1.26 -5.03 118.95 114.23 3hri s ARG 163 Ca 0.00 0.10 0.23 0.00 -0.52 0.00 0.00 55.73 55.54 3hri s ARG 163 Cb 0.00 -1.69 0.51 0.00 0.52 0.00 0.00 34.95 34.29 3hri s ARG 163 CO 0.00 -3.13 1.11 2.89 0.02 0.00 0.00 175.30 176.19 3hri n ARG 164 N -4.38 1.71 0.00 3.54 1.85 -1.26 -4.36 116.66 113.75 3hri n ARG 164 Ca 0.10 -3.47 0.00 0.00 -1.00 0.00 0.00 57.85 53.48 3hri n ARG 164 Cb 0.59 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.60 0.00 -4.17 2.89 1.74 -1.26 -4.33 116.66 110.93 3hri n ARG 165 Ca 0.07 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.98 3hri n ARG 165 Cb 0.80 -1.32 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.54 0.03 5.56 -6.30 -1.25 -1.55 118.70 115.74 3hri s GLU 166 Ca 0.00 -0.16 -0.26 0.00 -2.50 0.00 0.00 54.97 52.04 3hri s GLU 166 Cb 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 34.13 33.65 3hri s GLU 166 CO 0.00 0.06 0.61 -3.38 0.02 0.00 0.00 175.26 172.57 3hri s HIS 167 N 0.19 -0.56 0.38 5.30 -3.43 -1.08 -4.96 115.29 111.13 3hri s HIS 167 Ca -0.02 0.73 0.01 0.00 -0.80 0.00 0.00 55.06 54.98 3hri s HIS 167 Cb -0.06 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.50 3hri s HIS 167 CO -0.00 -0.69 0.58 0.71 -2.00 0.00 0.00 174.74 173.34 3hri s TYR 168 N -2.24 3.37 -0.27 0.38 2.02 -1.26 -0.62 117.35 118.73 3hri s TYR 168 Ca -0.06 0.25 -0.08 0.00 -0.37 0.00 0.00 57.07 56.81 3hri s TYR 168 Cb -0.01 -2.03 0.13 0.00 -0.40 0.00 0.00 41.96 39.65 3hri s TYR 168 CO 0.00 -0.04 0.57 -1.14 -1.57 0.00 0.00 175.55 173.38 3hri s GLN 169 N -4.37 0.50 -0.61 -0.62 0.74 -0.73 -2.47 119.66 112.11 3hri s GLN 169 Ca 0.43 1.25 -0.27 0.00 0.05 0.00 0.00 55.36 56.82 3hri s GLN 169 Cb -0.10 0.64 0.00 0.00 1.10 0.00 0.00 33.01 34.65 3hri s GLN 169 CO 0.36 -0.29 1.57 -0.46 -0.55 0.00 0.00 175.29 175.92 3hri s TRP 170 N 2.81 2.02 0.55 1.67 -0.00 -0.24 -3.21 118.94 122.54 3hri s TRP 170 Ca -0.00 0.48 -0.07 0.00 -0.00 0.00 0.00 56.10 56.50 3hri s TRP 170 Cb -0.13 -4.32 -0.03 0.00 -0.00 0.00 0.00 33.47 29.00 3hri s TRP 170 CO -0.18 -2.18 0.89 -0.80 -0.00 0.00 0.00 176.95 174.68 3hri s ASN 171 N 5.72 6.08 -0.30 5.86 -0.87 0.02 -1.53 114.94 129.91 3hri s ASN 171 Ca 0.55 1.02 -0.02 0.00 -1.57 0.00 0.00 52.86 52.85 3hri s ASN 171 Cb -0.11 -2.18 0.19 0.00 -0.02 0.00 0.00 41.25 39.13 3hri s ASN 171 CO 0.22 -0.79 0.81 -0.32 -2.57 0.00 0.00 177.10 174.45 3hri s MET 172 N -4.94 0.38 -0.11 -0.60 1.75 -1.02 -3.30 119.30 111.47 3hri s MET 172 Ca 0.51 0.28 0.02 0.00 -1.25 0.00 0.00 55.69 55.26 3hri s MET 172 Cb -0.11 0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.72 3hri s MET 172 CO 0.48 -0.68 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.48 3hri s ASP 173 N 2.76 2.58 -0.19 1.11 1.11 0.78 -2.16 116.67 122.66 3hri s ASP 173 Ca 0.18 -0.46 -0.09 0.00 0.18 0.00 0.00 52.55 52.36 3hri s ASP 173 Cb -0.05 -1.17 -0.05 0.00 1.07 0.00 0.00 42.92 42.72 3hri s ASP 173 CO -0.23 0.05 0.11 -0.63 1.18 0.00 0.00 175.17 175.66 3hri s ILE 174 N 0.80 5.26 -0.01 0.77 1.01 0.22 -0.86 121.20 128.38 3hri s ILE 174 Ca -0.10 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3hri s ILE 174 Cb -0.16 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 3hri s ILE 174 CO 0.01 0.47 -0.15 0.27 0.00 0.00 0.00 174.94 175.53 3hri s ILE 175 N 0.19 1.20 0.00 2.92 -4.36 0.19 -0.88 121.20 120.46 3hri s ILE 175 Ca 0.08 -0.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 3hri s ILE 175 Cb -0.11 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.60 3hri s ILE 175 CO -0.01 0.33 0.00 0.61 0.24 0.00 0.00 174.94 176.11 3hri n GLY 176 N 2.68 0.83 3.29 6.27 0.00 0.10 -0.81 105.19 117.55 3hri n GLY 176 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3hri n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hri s VAL 177 N -2.01 3.87 0.18 1.61 1.01 -1.26 -4.68 120.40 119.12 3hri s VAL 177 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 3hri s VAL 177 Cb 0.00 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3hri s VAL 177 CO 0.00 -0.14 1.56 0.11 0.00 0.00 0.00 175.10 176.63 3hri h LYS 178 N 8.24 0.88 -7.76 2.72 1.79 -1.97 -3.43 116.57 117.03 3hri h LYS 178 Ca -0.25 -0.40 -0.45 0.00 -2.18 0.00 0.00 60.65 57.37 3hri h LYS 178 Cb 1.09 -0.02 0.16 0.00 -1.58 0.00 0.00 32.23 31.88 3hri h LYS 178 CO 0.61 1.05 0.40 -1.54 -1.08 0.00 0.00 179.45 178.88 3hri s SER 179 N -6.78 3.11 0.00 0.86 1.04 -1.26 -4.95 113.70 105.72 3hri s SER 179 Ca -0.10 0.37 0.30 0.00 0.48 0.00 0.00 55.95 57.00 3hri s SER 179 Cb 0.12 -0.49 1.44 0.00 0.10 0.00 0.00 66.02 67.18 3hri s SER 179 CO 0.86 -2.74 2.01 0.55 0.98 0.00 0.00 173.24 174.89 3hri n VAL 180 N -3.79 0.00 0.31 5.02 3.14 -1.26 -3.78 118.33 117.97 3hri n VAL 180 Ca 0.14 -0.01 0.20 0.00 -2.96 0.00 0.00 64.34 61.72 3hri n VAL 180 Cb 0.60 -0.45 1.01 0.00 -1.06 0.00 0.00 33.84 33.94 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 0.06 0.00 0.48 6.55 4.64 -1.95 -2.23 113.55 121.09 3hri h SER 181 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3hri h SER 181 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3hri h SER 181 CO 0.00 0.01 -1.18 0.77 -0.87 0.00 0.00 176.83 175.55 3hri h SER 182 N 0.00 0.53 0.03 4.97 4.64 -1.90 -2.98 113.55 118.84 3hri h SER 182 Ca -0.00 -0.52 0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3hri h SER 182 Cb 0.19 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3hri h SER 182 CO 0.00 1.37 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.92 3hri h GLU 183 N 0.14 -0.16 -0.61 4.77 3.07 -1.67 -2.95 114.58 117.17 3hri h GLU 183 Ca -0.14 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.85 3hri h GLU 183 Cb 1.88 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.74 3hri h GLU 183 CO 0.20 -0.10 0.16 0.28 -1.40 0.00 0.00 179.01 178.15 3hri h VAL 184 N -0.16 0.67 0.07 3.13 2.07 -1.49 -1.90 116.25 118.64 3hri h VAL 184 Ca 0.02 -0.10 -0.25 0.00 0.82 0.00 0.00 66.70 67.19 3hri h VAL 184 Cb 0.19 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3hri h VAL 184 CO -0.06 0.05 -1.12 -0.08 0.02 0.00 0.00 177.57 176.39 3hri h GLU 185 N 0.30 0.21 -0.43 1.57 4.81 -1.54 -0.13 114.58 119.36 3hri h GLU 185 Ca 0.32 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3hri h GLU 185 Cb 0.46 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3hri h GLU 185 CO -0.38 1.12 0.20 -0.07 -0.73 0.00 0.00 179.01 179.15 3hri h LEU 186 N 0.07 0.57 -0.76 1.64 3.38 -1.37 0.78 115.31 119.63 3hri h LEU 186 Ca -0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hri h LEU 186 Cb 1.83 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.40 3hri h LEU 186 CO 0.17 0.55 0.46 0.58 0.09 0.00 0.00 178.44 180.29 3hri h VAL 187 N 0.55 1.21 -0.65 1.22 2.07 -1.24 0.46 116.25 119.87 3hri h VAL 187 Ca 0.15 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3hri h VAL 187 Cb 0.13 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3hri h VAL 187 CO -0.02 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.11 3hri h ALA 189 N 1.14 -1.05 -0.62 0.00 0.00 0.14 0.62 119.26 119.49 3hri h ALA 189 Ca 0.22 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.12 3hri h ALA 189 Cb 0.12 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 3hri h ALA 189 CO -0.03 -1.06 -0.24 0.00 0.00 0.00 0.00 179.25 177.92 3hri h ALA 190 N -1.26 0.22 -0.58 0.00 0.00 -0.80 1.04 119.26 117.88 3hri h ALA 190 Ca -0.05 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3hri h ALA 190 Cb 0.59 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3hri h ALA 190 CO -0.01 -0.53 0.24 0.00 0.00 0.00 0.00 179.25 178.95 3hri h THR 192 N 0.45 1.20 -0.56 0.00 2.02 0.69 0.21 112.91 116.92 3hri h THR 192 Ca 0.28 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3hri h THR 192 Cb 0.30 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3hri h THR 192 CO -0.26 0.19 0.12 0.00 0.37 0.00 0.00 175.52 175.94 3hri h ALA 193 N 1.28 1.16 -0.07 6.16 0.00 -0.71 -0.59 119.26 126.49 3hri h ALA 193 Ca 0.28 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3hri h ALA 193 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3hri h ALA 193 CO -0.06 0.56 -0.57 0.52 0.00 0.00 0.00 179.25 179.71 3hri h MET 194 N 0.83 0.21 -0.28 0.00 2.86 -0.47 -2.12 114.93 115.97 3hri h MET 194 Ca 0.18 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3hri h MET 194 Cb 0.33 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3hri h MET 194 CO 0.00 0.72 -0.15 0.37 1.06 0.00 0.00 176.91 178.91 3hri h GLN 195 N 0.16 0.59 -0.17 1.72 4.15 -0.26 -0.28 115.11 121.02 3hri h GLN 195 Ca -0.00 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.08 3hri h GLN 195 Cb 1.04 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3hri h GLN 195 CO 0.09 0.84 -0.23 0.77 -1.93 0.00 0.00 178.83 178.36 3hri h SER 196 N 0.33 0.29 1.03 -0.69 0.02 -1.00 -2.43 113.55 111.10 3hri h SER 196 Ca 0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hri h SER 196 Cb 0.67 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3hri h SER 196 CO 0.04 0.53 0.00 -0.07 -1.14 0.00 0.00 176.83 176.20 3hri h LEU 197 N 0.27 0.00 0.00 5.07 3.38 -1.38 -3.47 115.31 119.18 3hri h LEU 197 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hri h LEU 197 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hri h LEU 197 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3hri n GLY 198 N 0.42 1.53 3.77 0.83 0.00 -0.91 -4.90 105.19 105.94 3hri n GLY 198 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 4.30 0.47 0.99 1.43 -0.12 -4.97 118.68 120.78 3hri s LEU 199 Ca 0.00 2.26 0.06 0.00 -1.03 0.00 0.00 54.13 55.41 3hri s LEU 199 Cb 0.00 -3.92 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 3hri s LEU 199 CO 0.00 -0.45 0.25 -0.94 0.23 0.00 0.00 176.35 175.44 3hri s SER 200 N -1.14 4.50 0.63 2.29 1.04 -1.26 -4.08 113.70 115.69 3hri s SER 200 Ca 0.53 -1.20 0.38 0.00 0.48 0.00 0.00 55.95 56.13 3hri s SER 200 Cb -0.29 -0.02 2.13 0.00 0.10 0.00 0.00 66.02 67.94 3hri s SER 200 CO 0.37 -0.80 2.30 0.77 0.98 0.00 0.00 173.24 176.86 3hri h SER 201 N 1.15 0.00 0.44 7.02 4.64 -1.85 0.36 113.55 125.31 3hri h SER 201 Ca -0.41 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.72 3hri h SER 201 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3hri h SER 201 CO 0.65 0.00 -0.82 0.11 -0.87 0.00 0.00 176.83 175.90 3hri h LYS 202 N 0.00 0.28 0.00 4.77 6.56 -1.95 -3.38 116.57 122.86 3hri h LYS 202 Ca 0.01 -0.28 -0.00 0.00 -1.06 0.00 0.00 60.65 59.32 3hri h LYS 202 Cb 0.05 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3hri h LYS 202 CO -0.00 0.96 -0.00 -0.44 -2.06 0.00 0.00 179.45 177.91 3hri h ASP 203 N 0.17 -0.00 -3.76 0.86 3.32 -1.33 -3.43 116.42 112.24 3hri h ASP 203 Ca -0.04 -0.95 -0.27 0.00 0.02 0.00 0.00 57.03 55.79 3hri h ASP 203 Cb 1.42 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 3hri h ASP 203 CO 0.13 0.97 -0.20 1.33 -1.72 0.00 0.00 179.24 179.75 3hri n VAL 204 N -4.62 0.00 -3.82 -1.35 0.24 -0.74 -1.72 118.33 106.33 3hri n VAL 204 Ca -0.10 -1.02 0.03 0.00 -2.04 0.00 0.00 64.34 61.21 3hri n VAL 204 Cb 0.46 0.25 0.01 0.00 -1.47 0.00 0.00 33.84 33.08 3hri n VAL 204 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hri s GLY 205 N -2.16 -0.27 -0.12 7.63 0.00 -0.51 -4.60 107.32 107.29 3hri s GLY 205 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3hri s GLY 205 CO 0.02 3.25 -0.11 0.14 0.00 0.00 0.00 173.10 176.40 3hri s VAL 206 N -2.15 1.27 0.53 1.40 1.01 -0.53 -0.82 120.40 121.11 3hri s VAL 206 Ca 0.23 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3hri s VAL 206 Cb 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 3hri s VAL 206 CO -0.03 0.41 1.06 -0.54 0.00 0.00 0.00 175.10 176.00 3hri s LYS 207 N 1.48 3.58 0.02 2.72 1.02 -0.45 -2.12 119.74 126.00 3hri s LYS 207 Ca 0.02 1.37 0.05 0.00 0.02 0.00 0.00 55.97 57.43 3hri s LYS 207 Cb -0.13 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 3hri s LYS 207 CO -0.07 -0.61 -0.14 0.42 -0.92 0.00 0.00 175.35 174.02 3hri s ILE 208 N -2.06 1.12 0.21 2.17 1.09 0.50 -2.96 121.20 121.28 3hri s ILE 208 Ca 0.67 -0.88 -0.16 0.00 -1.10 0.00 0.00 60.65 59.19 3hri s ILE 208 Cb -0.18 -0.99 0.02 0.00 -1.06 0.00 0.00 42.46 40.25 3hri s ILE 208 CO 0.26 0.11 0.51 0.21 -0.10 0.00 0.00 174.94 175.92 3hri s ASN 209 N -0.89 -0.19 -0.04 3.58 2.47 -0.79 -0.69 114.94 118.39 3hri s ASN 209 Ca 0.03 -0.65 -0.00 0.00 0.42 0.00 0.00 52.86 52.66 3hri s ASN 209 Cb -0.07 0.58 0.03 0.00 -1.45 0.00 0.00 41.25 40.34 3hri s ASN 209 CO 0.01 -1.09 0.01 -0.55 -3.72 0.00 0.00 177.10 171.76 3hri s SER 210 N -2.92 0.74 0.48 -4.21 0.15 -1.26 -0.64 113.70 106.03 3hri s SER 210 Ca 0.13 -0.01 0.32 0.00 0.70 0.00 0.00 55.95 57.09 3hri s SER 210 Cb -0.01 -0.23 1.37 0.00 -1.71 0.00 0.00 66.02 65.44 3hri s SER 210 CO 0.02 -0.15 1.94 0.08 1.20 0.00 0.00 173.24 176.33 3hri h ARG 211 N 7.67 0.00 -0.57 5.44 0.11 -1.67 -2.21 114.38 123.15 3hri h ARG 211 Ca -0.33 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.75 3hri h ARG 211 Cb 1.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.18 3hri h ARG 211 CO 0.37 0.00 0.34 0.87 0.10 0.00 0.00 179.97 181.65 3hri h LYS 212 N 0.00 0.77 -0.25 0.08 1.57 -1.80 -1.16 116.57 115.79 3hri h LYS 212 Ca 0.00 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hri h LYS 212 Cb 0.41 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 3hri h LYS 212 CO 0.00 0.55 -0.55 0.82 -0.57 0.00 0.00 179.45 179.70 3hri h ILE 213 N 0.79 0.00 -0.45 1.86 2.04 -1.75 -1.12 117.51 118.88 3hri h ILE 213 Ca 0.21 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.93 3hri h ILE 213 Cb -0.02 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 3hri h ILE 213 CO -0.04 0.00 -0.24 0.25 0.00 0.00 0.00 178.15 178.12 3hri h LEU 214 N -0.51 0.96 -0.80 1.44 7.12 -1.52 -2.44 115.31 119.56 3hri h LEU 214 Ca 0.05 -0.37 -0.12 0.00 0.13 0.00 0.00 57.88 57.57 3hri h LEU 214 Cb 0.65 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 3hri h LEU 214 CO -0.50 1.14 -0.41 0.06 -0.13 0.00 0.00 178.44 178.60 3hri h GLN 215 N 0.80 0.40 0.00 1.25 3.07 -1.13 -3.12 115.11 116.37 3hri h GLN 215 Ca 0.10 -0.20 -0.18 0.00 0.09 0.00 0.00 58.65 58.46 3hri h GLN 215 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.34 3hri h GLN 215 CO 0.07 0.75 -0.87 1.79 0.09 0.00 0.00 178.83 180.65 3hri h THR 216 N 0.33 1.61 -0.73 1.86 1.35 -1.10 -2.59 112.91 113.64 3hri h THR 216 Ca 0.03 -2.95 0.15 0.00 -0.55 0.00 0.00 66.41 63.09 3hri h THR 216 Cb 0.87 2.60 -0.05 0.00 -1.73 0.00 0.00 68.15 69.84 3hri h THR 216 CO 0.07 0.84 0.49 0.58 -0.25 0.00 0.00 175.52 177.26 3hri h VAL 217 N 0.01 0.79 -3.64 6.82 2.07 -1.40 -3.37 116.25 117.53 3hri h VAL 217 Ca -0.01 -0.13 -0.61 0.00 0.82 0.00 0.00 66.70 66.77 3hri h VAL 217 Cb 1.54 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.58 3hri h VAL 217 CO 0.12 0.07 0.52 -0.69 0.02 0.00 0.00 177.57 177.61 3hri s VAL 218 N -5.36 4.53 -0.46 2.57 1.01 -0.98 -5.00 120.40 116.71 3hri s VAL 218 Ca -0.08 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.67 3hri s VAL 218 Cb 0.21 -4.39 0.28 0.00 0.00 0.00 0.00 36.38 32.48 3hri s VAL 218 CO 0.76 -0.77 1.05 -0.62 0.00 0.00 0.00 175.10 175.52 3hri n GLU 219 N 7.01 0.79 0.00 2.72 1.02 -1.26 -4.96 120.64 125.96 3hri n GLU 219 Ca 0.05 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 3hri n GLU 219 Cb 0.48 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 1.02 3.28 -3.97 1.62 8.00 -1.26 -5.12 116.55 120.12 3hri n ASP 226 Ca 0.06 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 3hri n ASP 226 Cb 0.67 0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.96 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 -1.93 4.14 -0.06 -1.24 -0.00 -1.26 -4.65 118.16 113.16 3hri n LYS 227 Ca 0.00 -4.18 -0.08 0.00 -0.00 0.00 0.00 58.31 54.05 3hri n LYS 227 Cb 0.37 -2.67 -0.06 0.00 -0.00 0.00 0.00 35.03 32.67 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 2.33 0.00 0.08 5.58 7.35 -1.26 -4.65 117.46 126.89 3hri n PHE 228 Ca 0.31 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.18 3hri n PHE 228 Cb 0.35 -0.49 0.71 0.00 0.35 0.00 0.00 39.48 40.40 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 0.10 2.29 -0.53 3.13 0.00 -1.98 -1.39 119.26 120.87 3hri h ALA 229 Ca -0.28 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3hri h ALA 229 Cb 1.47 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 3hri h ALA 229 CO -0.03 -0.50 0.36 -1.35 0.00 0.00 0.00 179.25 177.72 3hri h PRO 230 N 0.00 0.41 -0.31 0.00 0.11 -1.96 -3.11 132.00 127.13 3hri h PRO 230 Ca 0.18 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 3hri h PRO 230 Cb 0.78 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3hri h PRO 230 CO -0.00 0.27 -0.42 0.28 -0.21 0.00 0.00 178.00 177.92 3hri h VAL 231 N 0.42 1.29 -0.34 3.15 2.07 -1.55 -3.24 116.25 118.04 3hri h VAL 231 Ca 0.24 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 3hri h VAL 231 Cb 0.39 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3hri h VAL 231 CO -0.06 0.52 -0.05 0.00 0.02 0.00 0.00 177.57 178.00 3hri h VAL 233 N 0.52 1.09 0.00 0.00 2.07 -1.59 -2.11 116.25 116.24 3hri h VAL 233 Ca 0.10 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hri h VAL 233 Cb 0.41 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3hri h VAL 233 CO 0.02 0.11 -0.02 0.40 0.02 0.00 0.00 177.57 178.10 3hri h ILE 234 N 0.26 0.04 -3.27 4.57 2.04 -1.71 -3.47 117.51 115.97 3hri h ILE 234 Ca 0.07 -0.63 -0.54 0.00 1.00 0.00 0.00 64.86 64.75 3hri h ILE 234 Cb 0.09 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3hri h ILE 234 CO -0.00 0.02 -0.19 -0.69 0.00 0.00 0.00 178.15 177.28 3hri s VAL 235 N -3.59 5.04 0.00 1.67 1.01 -0.79 -5.15 120.40 118.58 3hri s VAL 235 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3hri s VAL 235 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3hri s VAL 235 CO 0.57 -0.11 0.00 -0.81 0.00 0.00 0.00 175.10 174.75 3hri n PRO 242 N -0.31 0.00 -0.31 2.72 -0.04 -1.26 -5.12 135.00 130.68 3hri n PRO 242 Ca -0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 3hri n PRO 242 Cb 0.53 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.17 3hri n PRO 242 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hri h ARG 243 N 1.03 0.78 0.00 0.54 2.47 -2.03 -2.87 114.38 114.30 3hri h ARG 243 Ca 0.00 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.54 3hri h ARG 243 Cb 0.00 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 3hri h ARG 243 CO 0.00 0.52 -0.74 1.05 0.56 0.00 0.00 179.97 181.36 3hri h GLU 244 N 0.81 0.00 0.00 0.04 4.11 -2.05 -1.07 114.58 116.42 3hri h GLU 244 Ca 0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.85 3hri h GLU 244 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hri h GLU 244 CO -0.27 0.54 -0.04 0.93 0.07 0.00 0.00 179.01 180.24 3hri h GLU 245 N 0.00 0.00 0.04 1.06 4.39 -1.94 0.78 114.58 118.91 3hri h GLU 245 Ca -0.03 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 3hri h GLU 245 Cb 1.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 3hri h GLU 245 CO 0.07 0.04 -1.01 0.28 -1.16 0.00 0.00 179.01 177.24 3hri h VAL 246 N 0.00 1.18 0.00 3.13 2.07 -1.41 -3.28 116.25 117.94 3hri h VAL 246 Ca -0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3hri h VAL 246 Cb 0.22 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3hri h VAL 246 CO 0.01 0.53 0.00 0.52 0.02 0.00 0.00 177.57 178.65 3hri n VAL 247 N -4.29 0.81 -0.03 2.57 0.31 -0.42 -0.20 118.33 117.09 3hri n VAL 247 Ca -0.24 0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 3hri n VAL 247 Cb 0.71 -0.98 -0.14 0.00 -0.91 0.00 0.00 33.84 32.52 3hri n VAL 247 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hri n ALA 248 N -1.37 1.49 0.09 3.52 0.00 0.27 -4.03 120.51 120.48 3hri n ALA 248 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.52 3hri n ALA 248 Cb 0.12 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 3hri n ALA 248 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3hri h GLN 249 N 0.00 0.27 -0.11 0.00 -0.00 -1.01 -1.84 115.11 112.42 3hri h GLN 249 Ca -0.32 -0.41 -0.03 0.00 -0.00 0.00 0.00 58.65 57.90 3hri h GLN 249 Cb 2.04 0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 29.66 3hri h GLN 249 CO 0.07 1.16 -0.05 -0.07 -0.00 0.00 0.00 178.83 179.94 3hri h LEU 250 N 0.10 0.23 -0.67 0.06 3.38 -0.78 -2.79 115.31 114.84 3hri h LEU 250 Ca -0.11 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.32 3hri h LEU 250 Cb 1.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3hri h LEU 250 CO 0.18 0.59 -0.47 0.00 0.09 0.00 0.00 178.44 178.83 3hri h ALA 251 N 0.65 0.85 -0.93 1.53 0.00 -1.72 -3.33 119.26 116.32 3hri h ALA 251 Ca 0.02 -0.47 0.27 0.00 0.00 0.00 0.00 54.91 54.74 3hri h ALA 251 Cb 0.50 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.03 3hri h ALA 251 CO 0.01 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.15 3hri h ALA 252 N 1.12 1.38 -0.11 0.00 0.00 -1.04 -2.28 119.26 118.33 3hri h ALA 252 Ca 0.02 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3hri h ALA 252 Cb 0.96 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hri h ALA 252 CO 0.08 -0.57 -0.25 0.82 0.00 0.00 0.00 179.25 179.34 3hri h ILE 253 N 0.12 1.39 0.00 0.00 2.04 -1.65 -3.45 117.51 115.96 3hri h ILE 253 Ca 0.61 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3hri h ILE 253 Cb 1.32 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 3hri h ILE 253 CO -0.75 0.45 0.00 0.61 0.00 0.00 0.00 178.15 178.46 3hri n GLY 254 N 0.48 -0.66 2.85 5.37 0.00 -0.89 -5.17 105.19 107.17 3hri n GLY 254 Ca -0.07 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3hri n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hri s LEU 255 N 0.00 1.62 0.00 0.99 1.02 -1.01 -5.06 118.68 116.24 3hri s LEU 255 Ca 0.00 -0.01 -0.06 0.00 0.02 0.00 0.00 54.13 54.07 3hri s LEU 255 Cb 0.00 -0.11 0.15 0.00 0.02 0.00 0.00 46.19 46.25 3hri s LEU 255 CO 0.00 -0.04 0.93 -0.62 0.02 0.00 0.00 176.35 176.65 3hri n GLU 256 N 3.52 -0.47 0.03 1.70 4.71 -1.26 -4.38 120.64 124.49 3hri n GLU 256 Ca -0.19 -1.96 -0.13 0.00 -0.01 0.00 0.00 57.16 54.88 3hri n GLU 256 Cb 0.55 -0.80 -0.08 0.00 -1.01 0.00 0.00 31.44 30.10 3hri n GLU 256 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3hri h SER 257 N -0.91 -1.33 -0.89 1.62 4.64 -2.00 -2.99 113.55 111.69 3hri h SER 257 Ca -0.31 0.15 0.22 0.00 -0.47 0.00 0.00 61.79 61.38 3hri h SER 257 Cb 0.98 0.51 -0.12 0.00 -0.31 0.00 0.00 62.40 63.45 3hri h SER 257 CO 0.27 -0.41 0.38 0.78 -0.87 0.00 0.00 176.83 176.97 3hri h ASN 258 N -0.52 0.30 0.02 4.97 4.21 -1.98 0.18 115.58 122.76 3hri h ASN 258 Ca 0.01 0.16 -0.10 0.00 1.21 0.00 0.00 56.30 57.58 3hri h ASN 258 Cb 0.57 0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.92 3hri h ASN 258 CO -0.30 -0.01 -0.40 1.62 -1.29 0.00 0.00 177.43 177.04 3hri h VAL 259 N 0.38 1.54 -0.45 2.81 3.04 -1.93 -1.95 116.25 119.69 3hri h VAL 259 Ca 0.55 -2.12 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 3hri h VAL 259 Cb 1.05 2.86 -0.02 0.00 -2.01 0.00 0.00 31.29 33.18 3hri h VAL 259 CO -0.53 0.59 -0.02 0.58 -1.01 0.00 0.00 177.57 177.18 3hri h VAL 260 N -0.43 1.26 -0.83 1.51 2.07 -1.35 -2.82 116.25 115.65 3hri h VAL 260 Ca -0.06 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.43 3hri h VAL 260 Cb 1.19 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3hri h VAL 260 CO 0.08 0.37 0.52 0.44 0.02 0.00 0.00 177.57 179.00 3hri h ASP 261 N 0.65 0.85 -0.57 0.57 5.19 -1.05 -2.73 116.42 119.33 3hri h ASP 261 Ca 0.13 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.61 3hri h ASP 261 Cb 0.52 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 3hri h ASP 261 CO 0.03 0.57 0.38 0.00 -3.12 0.00 0.00 179.24 177.10 3hri h ALA 262 N 1.36 1.87 0.05 3.45 0.00 -1.09 -3.16 119.26 121.75 3hri h ALA 262 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hri h ALA 262 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hri h ALA 262 CO -0.14 0.02 -0.03 0.82 0.00 0.00 0.00 179.25 179.93 3hri h ILE 263 N 0.51 0.17 -0.96 0.00 2.04 -1.40 -3.32 117.51 114.55 3hri h ILE 263 Ca 0.25 -1.07 0.39 0.00 1.00 0.00 0.00 64.86 65.44 3hri h ILE 263 Cb 0.33 0.32 -0.16 0.00 -0.74 0.00 0.00 36.82 36.57 3hri h ILE 263 CO -0.07 0.06 0.53 0.41 0.00 0.00 0.00 178.15 179.08 3hri n THR 264 N -4.81 -0.37 0.14 -0.27 -1.04 -1.08 0.07 114.28 106.92 3hri n THR 264 Ca -0.02 1.85 0.05 0.00 -2.04 0.00 0.00 64.05 63.90 3hri n THR 264 Cb 0.07 -3.01 0.04 0.00 -1.82 0.00 0.00 70.33 65.61 3hri n THR 264 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3hri h SER 265 N 0.00 0.00 0.66 8.00 4.64 -1.70 -3.22 113.55 121.92 3hri h SER 265 Ca 0.79 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 62.02 3hri h SER 265 Cb 2.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.22 3hri h SER 265 CO -0.68 0.34 -0.44 0.71 -0.87 0.00 0.00 176.83 175.89 3hri h THR 266 N 0.00 1.11 0.00 2.95 1.35 -0.46 -2.80 112.91 115.06 3hri h THR 266 Ca -0.03 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3hri h THR 266 Cb 1.28 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3hri h THR 266 CO 0.04 0.43 0.00 0.18 -0.25 0.00 0.00 175.52 175.92 3hri n LEU 267 N -3.73 0.00 0.11 3.87 4.32 -1.16 -2.50 117.00 117.90 3hri n LEU 267 Ca -0.01 0.13 0.12 0.00 -0.02 0.00 0.00 56.01 56.23 3hri n LEU 267 Cb 0.51 -0.13 0.12 0.00 -1.62 0.00 0.00 43.42 42.29 3hri n LEU 267 CO 0.38 -0.00 0.32 0.77 -1.22 0.00 0.00 177.39 177.64 3hri h SER 268 N 0.00 0.00 -3.49 -1.43 4.64 -1.60 -3.37 113.55 108.31 3hri h SER 268 Ca 0.00 -0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.71 3hri h SER 268 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3hri h SER 268 CO 0.00 0.04 0.33 -0.76 -0.87 0.00 0.00 176.83 175.57 3hri s LEU 269 N -5.01 4.44 -0.08 5.97 1.43 -1.04 -4.96 118.68 119.44 3hri s LEU 269 Ca 0.04 1.68 0.12 0.00 -1.03 0.00 0.00 54.13 54.94 3hri s LEU 269 Cb 0.10 -3.52 0.18 0.00 0.03 0.00 0.00 46.19 42.99 3hri s LEU 269 CO 0.73 -0.12 1.07 0.29 0.23 0.00 0.00 176.35 178.56 3hri n LYS 270 N 3.18 1.19 -3.89 1.70 4.01 -1.26 -2.79 118.16 120.30 3hri n LYS 270 Ca 0.03 -2.02 -0.11 0.00 -0.51 0.00 0.00 58.31 55.69 3hri n LYS 270 Cb 0.50 -1.19 -0.10 0.00 -0.51 0.00 0.00 35.03 33.73 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 -1.92 0.08 0.19 -0.18 -4.23 -1.26 -4.68 115.64 103.63 3hri s THR 271 Ca 0.20 -0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3hri s THR 271 Cb 0.17 -0.38 0.09 0.00 1.34 0.00 0.00 72.50 73.73 3hri s THR 271 CO 0.02 -0.36 1.69 0.40 -0.54 0.00 0.00 174.62 175.83 3hri h ILE 272 N 4.41 1.26 -0.86 2.99 2.04 -1.96 -2.34 117.51 123.05 3hri h ILE 272 Ca -0.30 -0.98 0.17 0.00 1.00 0.00 0.00 64.86 64.75 3hri h ILE 272 Cb 1.20 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 37.81 3hri h ILE 272 CO 0.41 0.37 0.40 0.44 0.00 0.00 0.00 178.15 179.77 3hri h ASP 273 N 0.98 0.42 0.46 1.72 3.32 -1.98 0.79 116.42 122.13 3hri h ASP 273 Ca 0.20 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3hri h ASP 273 Cb 0.39 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3hri h ASP 273 CO 0.01 0.12 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.38 3hri h GLU 274 N 0.51 0.00 0.17 3.56 4.81 -1.79 0.10 114.58 121.94 3hri h GLU 274 Ca 0.49 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.43 3hri h GLU 274 Cb 0.81 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.20 3hri h GLU 274 CO -0.43 0.19 -1.42 0.82 -0.73 0.00 0.00 179.01 177.44 3hri h ILE 275 N 0.00 1.13 -0.36 2.32 1.08 -0.83 -3.35 117.51 117.51 3hri h ILE 275 Ca -0.00 -2.51 -0.11 0.00 -0.39 0.00 0.00 64.86 61.86 3hri h ILE 275 Cb 0.47 2.87 -0.01 0.00 -3.07 0.00 0.00 36.82 37.08 3hri h ILE 275 CO 0.02 0.77 -0.22 0.00 -0.69 0.00 0.00 178.15 178.04 3hri h ALA 276 N 0.05 0.96 0.00 1.87 0.00 -0.93 -3.22 119.26 117.99 3hri h ALA 276 Ca -0.28 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3hri h ALA 276 Cb 1.91 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 3hri h ALA 276 CO 0.15 0.61 -0.12 0.94 0.00 0.00 0.00 179.25 180.82 3hri n GLN 277 N -4.12 1.26 0.00 0.00 7.27 0.34 -4.86 117.38 117.27 3hri n GLN 277 Ca 0.00 -0.46 0.00 0.00 0.07 0.00 0.00 57.00 56.61 3hri n GLN 277 Cb 0.42 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.51 3hri n GLN 277 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hri n ARG 278 N 2.17 0.00 -0.27 3.69 5.12 -1.22 -4.96 116.66 121.20 3hri n ARG 278 Ca 0.20 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.12 3hri n ARG 278 Cb 0.60 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.89 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 -1.75 -3.28 5.56 -0.00 -1.26 -5.02 120.64 114.89 3hri n GLU 282 Ca 0.00 0.01 -0.37 0.00 -0.00 0.00 0.00 57.16 56.80 3hri n GLU 282 Cb 0.00 -2.91 -0.06 0.00 -0.00 0.00 0.00 31.44 28.47 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 -0.27 3.70 0.12 -1.84 5.04 -1.26 -4.92 115.29 115.87 3hri s HIS 283 Ca 0.00 1.20 -0.13 0.00 -1.54 0.00 0.00 55.06 54.59 3hri s HIS 283 Cb 0.00 -2.46 0.07 0.00 0.04 0.00 0.00 32.58 30.23 3hri s HIS 283 CO 0.00 0.49 0.90 0.39 -2.34 0.00 0.00 174.74 174.18 3hri n GLU 284 N 1.20 -0.18 0.22 2.88 1.02 -1.26 -0.80 120.64 123.72 3hri n GLU 284 Ca -0.07 0.89 0.08 0.00 -0.02 0.00 0.00 57.16 58.03 3hri n GLU 284 Cb 0.51 -1.31 0.49 0.00 -0.02 0.00 0.00 31.44 31.11 3hri n GLU 284 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hri h ALA 285 N 0.61 1.21 0.00 0.62 0.00 -1.94 0.14 119.26 119.90 3hri h ALA 285 Ca 0.16 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 3hri h ALA 285 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hri h ALA 285 CO -0.56 0.33 -1.53 -0.39 0.00 0.00 0.00 179.25 177.10 3hri h VAL 286 N 0.00 0.79 -0.78 0.00 -1.51 -1.63 -3.17 116.25 109.95 3hri h VAL 286 Ca -0.00 -2.50 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 3hri h VAL 286 Cb 0.62 2.32 -0.04 0.00 -2.13 0.00 0.00 31.29 32.06 3hri h VAL 286 CO 0.03 0.45 0.50 0.03 -1.23 0.00 0.00 177.57 177.35 3hri h ARG 287 N 0.00 1.05 0.88 5.19 3.08 0.17 -1.65 114.38 123.11 3hri h ARG 287 Ca -0.22 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 3hri h ARG 287 Cb 1.84 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.67 3hri h ARG 287 CO 0.07 0.72 -0.42 0.93 -1.07 0.00 0.00 179.97 180.19 3hri h GLU 288 N 1.07 -1.14 -0.68 0.04 5.08 -0.91 -2.41 114.58 115.62 3hri h GLU 288 Ca 0.28 0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 3hri h GLU 288 Cb -0.08 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 3hri h GLU 288 CO -0.06 -0.76 0.30 -0.07 -1.00 0.00 0.00 179.01 177.42 3hri h LEU 289 N -1.29 0.36 -1.38 1.33 3.38 -1.53 0.84 115.31 117.01 3hri h LEU 289 Ca -0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hri h LEU 289 Cb 0.91 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3hri h LEU 289 CO 0.20 0.20 0.07 0.03 0.09 0.00 0.00 178.44 179.03 3hri h ARG 290 N 0.52 0.48 -0.09 1.13 3.08 -1.37 0.35 114.38 118.48 3hri h ARG 290 Ca 0.34 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 3hri h ARG 290 Cb 0.39 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hri h ARG 290 CO -0.29 0.46 -0.48 0.22 -1.07 0.00 0.00 179.97 178.80 3hri h ASP 291 N 0.48 0.58 0.32 7.04 3.58 -0.33 -1.69 116.42 126.40 3hri h ASP 291 Ca 0.11 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.91 3hri h ASP 291 Cb 0.20 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 3hri h ASP 291 CO -0.00 1.14 -0.49 0.15 -2.88 0.00 0.00 179.24 177.16 3hri h PHE 292 N 0.06 -1.37 -0.00 0.28 3.04 0.96 0.09 116.94 119.99 3hri h PHE 292 Ca -0.03 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.97 3hri h PHE 292 Cb 1.13 0.55 -0.04 0.00 2.56 0.00 0.00 35.95 40.15 3hri h PHE 292 CO 0.12 -0.61 -0.24 -0.84 -2.02 0.00 0.00 178.31 174.71 3hri h ILE 293 N -0.86 0.44 -0.81 1.41 -0.00 -0.37 0.31 117.51 117.63 3hri h ILE 293 Ca -0.03 0.00 0.18 0.00 -0.00 0.00 0.00 64.86 65.01 3hri h ILE 293 Cb 0.80 0.44 -0.12 0.00 -0.00 0.00 0.00 36.82 37.94 3hri h ILE 293 CO -0.16 0.00 0.27 0.74 -0.00 0.00 0.00 178.15 179.00 3hri h THR 294 N -0.38 0.51 -0.04 0.16 2.02 -1.26 -0.47 112.91 113.45 3hri h THR 294 Ca 0.06 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3hri h THR 294 Cb 0.46 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3hri h THR 294 CO -0.22 0.06 -0.04 1.56 0.37 0.00 0.00 175.52 177.25 3hri h GLN 295 N 0.34 0.09 -1.00 6.66 4.20 0.53 -1.86 115.11 124.07 3hri h GLN 295 Ca 0.47 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.18 3hri h GLN 295 Cb 0.84 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 3hri h GLN 295 CO -0.51 0.56 0.65 0.82 -0.67 0.00 0.00 178.83 179.68 3hri h ILE 296 N -0.36 1.15 -0.41 2.54 1.08 0.11 -0.75 117.51 120.87 3hri h ILE 296 Ca 0.01 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 3hri h ILE 296 Cb 0.54 -0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 3hri h ILE 296 CO 0.01 0.23 0.07 -0.33 -0.69 0.00 0.00 178.15 177.43 3hri h GLU 297 N 1.24 0.62 -0.47 2.37 5.08 -1.06 -1.71 114.58 120.65 3hri h GLU 297 Ca 0.41 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3hri h GLU 297 Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3hri h GLU 297 CO -0.14 0.59 -0.04 0.00 -1.00 0.00 0.00 179.01 178.43 3hri h ALA 298 N 1.48 0.63 -0.46 3.43 0.00 -0.31 -3.04 119.26 120.98 3hri h ALA 298 Ca 0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3hri h ALA 298 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hri h ALA 298 CO 0.00 0.47 -0.02 -0.92 0.00 0.00 0.00 179.25 178.78 3hri h TYR 299 N 0.70 0.83 0.00 0.00 5.03 -0.91 -3.47 116.97 119.15 3hri h TYR 299 Ca 0.13 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3hri h TYR 299 Cb 0.56 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.61 3hri h TYR 299 CO 0.04 0.78 0.00 0.41 -1.32 0.00 0.00 178.16 178.08 3hri n GLY 300 N -0.61 1.65 0.49 1.82 0.00 -0.72 -5.05 105.19 102.78 3hri n GLY 300 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3hri n GLY 300 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hri n PHE 301 N 0.00 0.47 -0.32 1.61 3.72 -0.77 -4.76 117.46 117.41 3hri n PHE 301 Ca 0.00 -0.81 0.19 0.00 -0.05 0.00 0.00 57.45 56.78 3hri n PHE 301 Cb 0.00 -0.19 0.39 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.07 1.72 0.28 1.37 0.00 -1.80 0.40 103.07 106.11 3hri h GLY 302 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hri h GLY 302 CO 0.09 -0.45 0.00 1.22 0.00 0.00 0.00 176.54 177.41 3hri n ASP 303 N -5.15 0.00 -0.04 0.19 9.92 -1.26 -3.41 116.55 116.79 3hri n ASP 303 Ca 0.27 -1.29 -0.03 0.00 -0.53 0.00 0.00 54.79 53.20 3hri n ASP 303 Cb 0.85 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.27 3hri n ASP 303 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 3hri n TRP 304 N -0.64 0.00 -2.63 1.24 7.02 0.14 -4.74 117.44 117.83 3hri n TRP 304 Ca 0.05 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.28 3hri n TRP 304 Cb 0.02 -0.37 0.02 0.00 -2.42 0.00 0.00 31.31 28.56 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 -2.21 3.97 -0.20 -0.99 -7.23 -1.18 -1.45 120.40 111.10 3hri s VAL 305 Ca -0.04 -0.13 -0.27 0.00 -1.81 0.00 0.00 61.98 59.73 3hri s VAL 305 Cb 0.02 -3.53 0.07 0.00 0.56 0.00 0.00 36.38 33.51 3hri s VAL 305 CO 0.32 -0.48 0.70 -0.51 -0.31 0.00 0.00 175.10 174.82 3hri s ILE 306 N -2.81 0.00 0.09 -0.62 2.07 -0.90 -4.88 121.20 114.16 3hri s ILE 306 Ca 0.51 -0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.58 3hri s ILE 306 Cb -0.10 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.42 3hri s ILE 306 CO 0.43 -0.00 0.55 0.12 -1.91 0.00 0.00 174.94 174.12 3hri s PHE 307 N -0.15 3.73 -0.22 3.50 5.36 -1.26 -0.37 117.98 128.56 3hri s PHE 307 Ca -0.04 1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 57.03 3hri s PHE 307 Cb -0.03 -2.43 0.10 0.00 -0.34 0.00 0.00 43.02 40.32 3hri s PHE 307 CO 0.04 0.53 0.48 0.34 -1.46 0.00 0.00 175.22 175.15 3hri s ASP 308 N -1.33 -0.48 0.47 6.13 -1.08 0.13 -4.59 116.67 115.93 3hri s ASP 308 Ca 0.32 1.13 0.27 0.00 -0.52 0.00 0.00 52.55 53.74 3hri s ASP 308 Cb -0.18 1.59 0.94 0.00 -1.46 0.00 0.00 42.92 43.81 3hri s ASP 308 CO 0.18 -0.23 1.83 0.00 0.52 0.00 0.00 175.17 177.47 3hri h ALA 309 N 8.13 0.99 0.00 3.66 0.00 -1.76 -3.25 119.26 127.03 3hri h ALA 309 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hri h ALA 309 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hri h ALA 309 CO 0.12 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 3hri n SER 310 N -3.24 0.00 -4.56 0.00 3.41 -1.26 -4.68 113.62 103.30 3hri n SER 310 Ca 0.01 -0.66 -0.40 0.00 -0.26 0.00 0.00 58.87 57.56 3hri n SER 310 Cb 0.42 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 3hri n SER 310 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hri s VAL 311 N -2.20 3.53 -0.10 -3.33 1.01 -1.23 -4.77 120.40 113.32 3hri s VAL 311 Ca 0.39 0.36 0.16 0.00 0.00 0.00 0.00 61.98 62.89 3hri s VAL 311 Cb 0.20 -4.23 0.34 0.00 0.00 0.00 0.00 36.38 32.69 3hri s VAL 311 CO 0.38 -1.14 1.16 1.33 0.00 0.00 0.00 175.10 176.83 3hri n VAL 312 N 6.97 1.10 -2.14 2.92 0.24 -1.26 -4.90 118.33 121.27 3hri n VAL 312 Ca 0.15 -1.87 -0.34 0.00 -2.04 0.00 0.00 64.34 60.24 3hri n VAL 312 Cb 0.50 0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 33.11 3hri n VAL 312 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hri s ARG 313 N -1.64 2.74 -0.78 7.34 6.06 -1.26 -2.92 118.95 128.49 3hri s ARG 313 Ca 0.30 0.03 -0.04 0.00 -2.50 0.00 0.00 55.73 53.52 3hri s ARG 313 Cb 0.31 -4.71 0.00 0.00 0.06 0.00 0.00 34.95 30.61 3hri s ARG 313 CO -0.08 -2.87 0.51 0.41 -2.50 0.00 0.00 175.30 170.78 3hri n GLY 314 N 6.21 0.10 0.21 8.12 0.00 -1.26 -4.94 105.19 113.63 3hri n GLY 314 Ca 0.27 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.17 0.19 -0.78 0.99 6.46 -1.82 -2.25 115.31 116.93 3hri h LEU 315 Ca -0.30 -0.06 0.12 0.00 -0.12 0.00 0.00 57.88 57.52 3hri h LEU 315 Cb 1.20 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 41.00 3hri h LEU 315 CO 0.31 0.47 0.39 0.00 -0.62 0.00 0.00 178.44 178.98 3hri h ALA 316 N 1.55 1.11 0.00 1.25 0.00 -1.88 -2.25 119.26 119.05 3hri h ALA 316 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hri h ALA 316 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hri h ALA 316 CO 0.04 -0.06 0.00 0.98 0.00 0.00 0.00 179.25 180.21 3hri n TYR 317 N -4.87 0.36 -2.81 0.00 9.36 -0.85 -4.77 117.16 113.58 3hri n TYR 317 Ca 0.14 0.12 -0.20 0.00 3.32 0.00 0.00 57.90 61.28 3hri n TYR 317 Cb 0.34 -0.70 0.04 0.00 -0.63 0.00 0.00 39.34 38.40 3hri n TYR 317 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3hri s TYR 318 N -3.09 2.47 -0.09 2.98 1.51 -0.85 -4.81 117.35 115.47 3hri s TYR 318 Ca 0.09 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3hri s TYR 318 Cb 0.12 -2.58 -0.05 0.00 -0.11 0.00 0.00 41.96 39.34 3hri s TYR 318 CO 0.42 -0.87 -0.09 2.41 -1.11 0.00 0.00 175.55 176.31 3hri n THR 319 N -2.23 0.49 0.00 -0.71 -1.04 0.28 -4.93 114.28 106.14 3hri n THR 319 Ca 0.10 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3hri n THR 319 Cb 0.60 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 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 2.83 3.68 3.76 3.41 0.00 -1.12 -4.39 105.19 113.36 3hri n GLY 320 Ca -0.16 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 3.29 2.29 0.08 -0.61 1.01 -1.26 -2.00 121.20 124.01 3hri s ILE 321 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.97 3hri s ILE 321 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3hri s ILE 321 CO 0.00 0.05 -0.14 0.68 0.00 0.00 0.00 174.94 175.53 3hri s VAL 322 N -0.56 1.18 0.19 2.92 -7.23 0.19 -0.91 120.40 116.18 3hri s VAL 322 Ca 0.57 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 3hri s VAL 322 Cb -0.45 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3hri s VAL 322 CO 0.53 -0.27 0.23 0.72 -0.31 0.00 0.00 175.10 176.00 3hri s PHE 323 N -1.49 0.77 -0.30 2.82 -0.12 -0.23 -1.89 117.98 117.54 3hri s PHE 323 Ca 0.01 -1.08 -0.07 0.00 -0.05 0.00 0.00 56.93 55.74 3hri s PHE 323 Cb -0.09 -0.27 0.17 0.00 -0.63 0.00 0.00 43.02 42.21 3hri s PHE 323 CO 0.02 -0.72 0.76 -2.00 -0.05 0.00 0.00 175.22 173.23 3hri s GLU 324 N -4.07 0.45 0.49 1.99 2.12 -1.16 -1.82 118.70 116.71 3hri s GLU 324 Ca 0.28 0.93 -0.23 0.00 0.36 0.00 0.00 54.97 56.31 3hri s GLU 324 Cb 0.04 0.53 -0.07 0.00 0.26 0.00 0.00 34.13 34.90 3hri s GLU 324 CO 0.07 -0.37 1.29 0.20 -0.54 0.00 0.00 175.26 175.91 3hri s GLY 325 N 2.83 2.86 -0.17 -1.50 0.00 0.14 -1.34 107.32 110.14 3hri s GLY 325 Ca 0.08 1.19 -0.25 0.00 0.00 0.00 0.00 44.72 45.74 3hri s GLY 325 CO -0.18 1.70 0.64 -0.11 0.00 0.00 0.00 173.10 175.15 3hri s PHE 326 N -1.37 -0.66 0.14 1.90 -0.71 0.00 -1.37 117.98 115.91 3hri s PHE 326 Ca 0.66 1.44 -0.30 0.00 -1.04 0.00 0.00 56.93 57.69 3hri s PHE 326 Cb -0.36 0.29 -0.07 0.00 -1.21 0.00 0.00 43.02 41.67 3hri s PHE 326 CO 0.44 -0.43 0.95 0.16 -1.34 0.00 0.00 175.22 175.00 3hri s ASP 327 N -0.27 7.52 0.47 1.98 1.47 -1.26 -1.42 116.67 125.17 3hri s ASP 327 Ca -0.05 1.82 0.27 0.00 1.18 0.00 0.00 52.55 55.77 3hri s ASP 327 Cb -0.03 -2.59 0.78 0.00 -0.34 0.00 0.00 42.92 40.74 3hri s ASP 327 CO 0.04 -0.01 1.77 0.03 0.68 0.00 0.00 175.17 177.68 3hri h ARG 328 N 5.24 0.00 0.00 2.11 3.08 -1.61 -2.61 114.38 120.59 3hri h ARG 328 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3hri h ARG 328 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3hri h ARG 328 CO 0.71 0.06 0.00 -0.25 -1.07 0.00 0.00 179.97 179.42 3hri n ASP 329 N -3.13 0.44 -0.14 7.04 8.00 -1.26 -4.94 116.55 122.56 3hri n ASP 329 Ca 0.02 0.55 -0.01 0.00 0.71 0.00 0.00 54.79 56.06 3hri n ASP 329 Cb 0.45 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.12 0.33 0.06 0.44 0.00 -0.98 -4.96 105.19 101.20 3hri n GLY 330 Ca 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.24 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 1.77 0.18 -4.49 1.61 3.02 -1.26 -5.00 115.26 111.08 3hri n ASN 331 Ca -0.01 0.08 -0.24 0.00 -0.03 0.00 0.00 54.58 54.37 3hri n ASN 331 Cb 0.47 1.26 -0.10 0.00 -0.61 0.00 0.00 39.78 40.80 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 -3.03 2.26 0.40 3.10 0.40 -1.26 -5.15 117.98 114.70 3hri s PHE 332 Ca -0.08 -0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 55.70 3hri s PHE 332 Cb 0.10 -1.19 0.10 0.00 0.51 0.00 0.00 43.02 42.54 3hri s PHE 332 CO 0.86 0.56 0.37 2.89 0.70 0.00 0.00 175.22 180.60 3hri n ARG 333 N -0.69 -1.58 -1.96 0.44 -4.01 -1.26 -4.79 116.66 102.81 3hri n ARG 333 Ca -0.05 -0.60 -0.41 0.00 -1.04 0.00 0.00 57.85 55.75 3hri n ARG 333 Cb 0.62 -0.54 -0.02 0.00 -3.04 0.00 0.00 32.46 29.49 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 -3.11 3.58 -0.03 2.89 0.00 -1.26 -4.75 121.76 119.09 3hri s ALA 334 Ca 0.24 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.45 3hri s ALA 334 Cb -0.02 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 3hri s ALA 334 CO 0.18 -0.82 0.68 -0.07 0.00 0.00 0.00 175.76 175.73 3hri h LEU 335 N 3.92 -0.47 -7.97 0.00 4.07 -1.59 -3.47 115.31 109.80 3hri h LEU 335 Ca -0.48 0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.35 3hri h LEU 335 Cb 1.23 0.12 -0.19 0.00 1.08 0.00 0.00 40.66 42.90 3hri h LEU 335 CO 0.70 -0.09 -0.61 0.00 -1.08 0.00 0.00 178.44 177.36 3hri s GLY 337 N -1.89 0.27 0.02 0.00 0.00 -0.39 0.25 107.32 105.59 3hri s GLY 337 Ca -0.09 -0.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 3hri s GLY 337 CO -0.03 -0.70 0.62 0.61 0.00 0.00 0.00 173.10 173.60 3hri n GLY 338 N 1.53 0.59 0.00 0.20 0.00 -0.75 -0.39 105.19 106.37 3hri n GLY 338 Ca -0.24 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.36 3.69 -0.02 0.00 -0.79 -1.07 105.19 105.19 3hri n GLY 339 Ca 0.01 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 3hri n GLY 339 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hri s ARG 340 N -1.76 4.23 -0.43 1.61 3.52 -0.09 -2.34 118.95 123.69 3hri s ARG 340 Ca 0.00 0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.91 3hri s ARG 340 Cb 0.00 -3.50 0.13 0.00 -1.56 0.00 0.00 34.95 30.01 3hri s ARG 340 CO 0.00 0.02 0.20 1.52 -0.81 0.00 0.00 175.30 176.24 3hri s TYR 341 N 1.10 2.35 -0.02 5.12 -0.85 -0.69 0.98 117.35 125.34 3hri s TYR 341 Ca 0.21 -2.54 0.28 0.00 -0.52 0.00 0.00 57.07 54.51 3hri s TYR 341 Cb -0.15 -2.15 0.97 0.00 0.38 0.00 0.00 41.96 41.01 3hri s TYR 341 CO 0.08 -0.80 1.84 -0.44 -1.52 0.00 0.00 175.55 174.71 3hri h ASP 342 N 6.96 0.00 -0.24 -0.18 3.32 -1.86 -3.00 116.42 121.42 3hri h ASP 342 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hri h ASP 342 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3hri h ASP 342 CO 0.53 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.71 3hri n ASN 343 N -3.17 2.31 0.29 6.45 4.13 -1.26 -3.98 115.26 120.03 3hri n ASN 343 Ca 0.01 -2.22 -0.14 0.00 1.68 0.00 0.00 54.58 53.91 3hri n ASN 343 Cb 0.40 -0.43 -0.07 0.00 -1.54 0.00 0.00 39.78 38.14 3hri n ASN 343 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3hri h LEU 344 N 1.55 -0.66 -0.10 3.41 5.85 -1.82 -2.78 115.31 120.76 3hri h LEU 344 Ca 0.00 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 3hri h LEU 344 Cb 0.81 0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.01 3hri h LEU 344 CO 0.12 -0.28 -1.01 -0.07 -0.34 0.00 0.00 178.44 176.86 3hri h LEU 345 N -1.09 0.58 -0.80 2.25 3.38 -1.85 -3.12 115.31 114.67 3hri h LEU 345 Ca -0.08 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.45 3hri h LEU 345 Cb 0.65 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3hri h LEU 345 CO 0.13 1.30 0.49 0.71 0.09 0.00 0.00 178.44 181.16 3hri h THR 346 N 0.23 1.05 -0.75 0.22 1.35 -1.78 -1.14 112.91 112.09 3hri h THR 346 Ca -0.10 -0.31 0.13 0.00 -0.55 0.00 0.00 66.41 65.58 3hri h THR 346 Cb 1.66 0.06 -0.14 0.00 -1.73 0.00 0.00 68.15 68.00 3hri h THR 346 CO 0.18 0.17 -0.31 0.74 -0.25 0.00 0.00 175.52 176.05 3hri h THR 347 N 0.91 0.14 -0.02 6.82 2.02 -1.42 0.34 112.91 121.70 3hri h THR 347 Ca 0.34 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 3hri h THR 347 Cb 0.12 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3hri h THR 347 CO -0.15 0.00 0.01 -1.22 0.37 0.00 0.00 175.52 174.52 3hri n TYR 348 N -5.47 0.07 -0.57 3.16 4.01 -0.52 -4.76 117.16 113.08 3hri n TYR 348 Ca 0.08 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3hri n TYR 348 Cb 0.38 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.19 0.65 3.71 2.72 0.00 0.12 -5.03 105.19 107.55 3hri n GLY 349 Ca 0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.54 6.75 0.16 1.61 0.15 -0.66 -4.91 113.70 114.26 3hri s SER 350 Ca 0.00 2.39 -0.11 0.00 0.70 0.00 0.00 55.95 58.93 3hri s SER 350 Cb 0.00 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3hri s SER 350 CO 0.00 -0.72 1.59 1.55 1.20 0.00 0.00 173.24 176.85 3hri h PRO 351 N 7.04 0.96 -5.14 5.44 0.13 -1.90 -3.41 132.00 135.12 3hri h PRO 351 Ca -0.42 -0.35 -0.63 0.00 -0.87 0.00 0.00 66.00 63.74 3hri h PRO 351 Cb 1.20 -0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.09 3hri h PRO 351 CO 0.89 1.01 -0.57 -0.08 -0.23 0.00 0.00 178.00 179.02 3hri s THR 352 N -4.88 4.78 0.95 1.56 -1.32 -1.26 -5.06 115.64 110.41 3hri s THR 352 Ca -0.12 -0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.23 3hri s THR 352 Cb 0.12 -3.19 0.16 0.00 -1.51 0.00 0.00 72.50 68.08 3hri s THR 352 CO 0.85 0.40 1.08 0.00 -2.21 0.00 0.00 174.62 174.73 3hri n ALA 353 N 4.09 -1.20 -3.62 11.08 0.00 -1.26 -4.70 120.51 124.90 3hri n ALA 353 Ca -0.16 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 52.56 3hri n ALA 353 Cb 0.52 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 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 -2.59 -0.66 0.29 0.00 1.01 -1.26 -5.03 120.40 112.16 3hri s VAL 354 Ca 0.66 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 3hri s VAL 354 Cb -0.23 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 35.33 3hri s VAL 354 CO 0.60 0.05 1.48 -0.81 0.00 0.00 0.00 175.10 176.41 3hri n PRO 355 N 5.39 2.37 -3.86 2.72 -0.04 -1.26 -4.73 135.00 135.59 3hri n PRO 355 Ca -0.08 0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3hri n PRO 355 Cb 0.49 -2.55 -0.13 0.00 -0.04 0.00 0.00 33.50 31.28 3hri n PRO 355 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hri s VAL 357 N -0.28 0.56 -0.10 0.00 1.01 -0.06 -1.71 120.40 119.83 3hri s VAL 357 Ca -0.03 -1.08 -0.32 0.00 0.00 0.00 0.00 61.98 60.54 3hri s VAL 357 Cb -0.02 -0.62 0.13 0.00 0.00 0.00 0.00 36.38 35.86 3hri s VAL 357 CO 0.00 -0.37 1.22 -0.83 0.00 0.00 0.00 175.10 175.12 3hri s GLY 358 N -1.57 -0.35 0.08 4.51 0.00 -0.99 0.69 107.32 109.70 3hri s GLY 358 Ca -0.10 1.14 0.01 0.00 0.00 0.00 0.00 44.72 45.78 3hri s GLY 358 CO 0.00 0.33 -0.06 -0.11 0.00 0.00 0.00 173.10 173.26 3hri s PHE 359 N -2.49 0.80 -0.02 1.90 -0.12 -0.92 -1.89 117.98 115.23 3hri s PHE 359 Ca 0.11 -0.85 -0.00 0.00 -0.05 0.00 0.00 56.93 56.14 3hri s PHE 359 Cb 0.01 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 3hri s PHE 359 CO -0.04 -0.16 0.04 0.20 -0.05 0.00 0.00 175.22 175.21 3hri s GLY 360 N -2.73 1.95 -0.31 1.99 0.00 0.47 -2.43 107.32 106.26 3hri s GLY 360 Ca 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 3hri s GLY 360 CO -0.04 -0.73 0.10 -0.12 0.00 0.00 0.00 173.10 172.31 3hri s PHE 361 N -1.10 1.74 0.92 1.90 5.36 -0.58 -1.26 117.98 124.95 3hri s PHE 361 Ca 0.20 -1.77 -0.11 0.00 -0.96 0.00 0.00 56.93 54.29 3hri s PHE 361 Cb -0.12 -1.73 0.14 0.00 -0.34 0.00 0.00 43.02 40.97 3hri s PHE 361 CO 0.10 -0.88 1.10 0.20 -1.46 0.00 0.00 175.22 174.29 3hri s GLY 362 N 1.59 1.64 0.00 13.12 0.00 -1.23 -1.08 107.32 121.36 3hri s GLY 362 Ca 0.10 0.23 0.19 0.00 0.00 0.00 0.00 44.72 45.24 3hri s GLY 362 CO -0.25 0.70 0.93 2.09 0.00 0.00 0.00 173.10 176.57 3hri n ASP 363 N -4.09 1.61 -0.01 1.64 5.75 -1.03 -4.53 116.55 115.90 3hri n ASP 363 Ca 0.08 -1.31 -0.00 0.00 -0.01 0.00 0.00 54.79 53.55 3hri n ASP 363 Cb 0.53 0.59 -0.00 0.00 -1.03 0.00 0.00 41.12 41.21 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 -0.14 1.16 -0.76 0.00 2.07 -1.90 -1.88 116.25 114.80 3hri h VAL 365 Ca 0.00 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3hri h VAL 365 Cb 0.03 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.58 3hri h VAL 365 CO 0.00 0.22 0.50 0.40 0.02 0.00 0.00 177.57 178.71 3hri h ILE 366 N 1.23 1.02 0.22 4.57 1.08 -1.79 -1.25 117.51 122.57 3hri h ILE 366 Ca 0.39 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 3hri h ILE 366 Cb 0.02 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3hri h ILE 366 CO -0.12 0.15 -0.10 0.58 -0.69 0.00 0.00 178.15 177.96 3hri h VAL 367 N 0.80 0.86 -0.77 1.67 2.07 -1.51 -0.48 116.25 118.89 3hri h VAL 367 Ca 0.33 -0.49 0.15 0.00 0.82 0.00 0.00 66.70 67.52 3hri h VAL 367 Cb 0.27 1.15 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 3hri h VAL 367 CO -0.11 0.11 0.29 -0.33 0.02 0.00 0.00 177.57 177.55 3hri h GLU 368 N -0.54 0.40 0.38 1.57 5.08 -1.16 0.13 114.58 120.44 3hri h GLU 368 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3hri h GLU 368 Cb 0.40 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hri h GLU 368 CO 0.05 0.26 -0.18 1.25 -1.00 0.00 0.00 179.01 179.39 3hri h LEU 369 N 0.41 -0.44 -1.21 1.33 5.85 -1.16 -0.01 115.31 120.08 3hri h LEU 369 Ca 0.43 -0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.25 3hri h LEU 369 Cb 0.70 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 3hri h LEU 369 CO -0.44 -0.19 0.60 -0.07 -0.34 0.00 0.00 178.44 178.00 3hri h LEU 370 N -0.67 0.68 -0.46 2.25 3.38 -0.43 0.48 115.31 120.54 3hri h LEU 370 Ca -0.05 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3hri h LEU 370 Cb 0.48 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hri h LEU 370 CO 0.09 0.29 -0.07 -1.13 0.09 0.00 0.00 178.44 177.72 3hri h ASN 371 N 0.69 0.85 -0.69 -0.43 -1.24 -0.50 0.28 115.58 114.54 3hri h ASN 371 Ca 0.51 -0.34 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 3hri h ASN 371 Cb 0.86 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.65 3hri h ASN 371 CO -0.27 0.99 0.30 -0.33 -1.29 0.00 0.00 177.43 176.84 3hri h GLU 372 N 0.70 1.01 -0.41 6.67 3.07 0.75 -2.87 114.58 123.50 3hri h GLU 372 Ca 0.12 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3hri h GLU 372 Cb 0.59 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3hri h GLU 372 CO 0.04 0.82 0.00 0.36 -1.40 0.00 0.00 179.01 178.83 3hri n LYS 373 N -4.41 1.87 -3.83 2.33 -0.00 -0.02 -4.93 118.16 109.17 3hri n LYS 373 Ca 0.05 -1.11 -0.24 0.00 -0.00 0.00 0.00 58.31 57.01 3hri n LYS 373 Cb 0.16 -1.35 0.01 0.00 -0.00 0.00 0.00 35.03 33.85 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 0.35 -4.23 0.00 -1.58 5.02 -0.60 -5.58 118.16 111.54 3hri n LYS 374 Ca 0.10 0.52 0.03 0.00 -2.02 0.00 0.00 58.31 56.95 3hri n LYS 374 Cb 0.33 -4.92 0.01 0.00 -0.02 0.00 0.00 35.03 30.43 3hri n LYS 374 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hri n LEU 375 N -4.35 1.29 -4.70 -0.35 4.77 0.88 -5.00 117.00 109.54 3hri n LEU 375 Ca -0.28 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.40 3hri n LEU 375 Cb 0.67 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 3hri n LEU 375 CO 0.72 0.27 0.95 -0.76 -1.33 0.00 0.00 177.39 177.24 3hri s LEU 376 N -1.01 4.33 0.71 2.23 1.43 -1.23 -4.94 118.68 120.20 3hri s LEU 376 Ca 0.07 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 3hri s LEU 376 Cb 0.06 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.73 3hri s LEU 376 CO 0.13 -0.56 1.07 -2.16 0.23 0.00 0.00 176.35 175.06 3hri s PRO 377 N 1.70 2.79 -0.44 1.29 0.04 -1.26 -5.03 135.00 134.08 3hri s PRO 377 Ca 0.59 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 3hri s PRO 377 Cb -0.28 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3hri s PRO 377 CO 0.26 -1.15 0.40 -1.21 0.04 0.00 0.00 177.00 175.34 3hri s GLU 378 N -5.14 3.03 0.08 4.56 0.41 -1.26 -5.05 118.70 115.32 3hri s GLU 378 Ca 0.58 -1.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.17 3hri s GLU 378 Cb -0.13 -4.03 -0.04 0.00 -1.78 0.00 0.00 34.13 28.15 3hri s GLU 378 CO 0.54 -0.91 0.00 -0.51 -0.49 0.00 0.00 175.26 173.90 3hri s LEU 379 N 1.91 3.48 -0.07 1.80 1.43 -1.26 -5.12 118.68 120.85 3hri s LEU 379 Ca 0.08 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3hri s LEU 379 Cb -0.20 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.86 3hri s LEU 379 CO 0.10 0.19 0.17 -1.00 0.23 0.00 0.00 176.35 176.04 3hri s HIS 380 N -1.29 -0.19 -0.03 0.29 3.76 -1.26 -5.07 115.29 111.49 3hri s HIS 380 Ca 0.25 0.49 -0.34 0.00 -0.15 0.00 0.00 55.06 55.32 3hri s HIS 380 Cb -0.12 0.01 -0.12 0.00 1.11 0.00 0.00 32.58 33.47 3hri s HIS 380 CO 0.18 -0.13 1.85 1.58 -0.85 0.00 0.00 174.74 177.37 3hri n HIS 381 N 3.51 2.35 -4.50 1.40 -0.00 -1.26 -4.98 115.22 111.75 3hri n HIS 381 Ca -0.18 -0.01 -0.22 0.00 0.46 0.00 0.00 57.72 57.77 3hri n HIS 381 Cb 0.56 -2.66 -0.16 0.00 -0.12 0.00 0.00 29.99 27.61 3hri n HIS 381 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3hri s VAL 382 N 3.62 0.95 0.18 3.57 1.01 -1.26 -4.00 120.40 124.47 3hri s VAL 382 Ca 0.90 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 62.54 3hri s VAL 382 Cb -0.66 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3hri s VAL 382 CO 0.48 0.29 -0.23 -0.69 0.00 0.00 0.00 175.10 174.95 3hri s VAL 383 N 0.15 2.24 0.01 2.92 1.01 -1.26 -4.99 120.40 120.48 3hri s VAL 383 Ca -0.03 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 59.78 3hri s VAL 383 Cb -0.09 -2.05 -0.29 0.00 0.00 0.00 0.00 36.38 33.95 3hri s VAL 383 CO 0.01 -0.14 1.04 0.44 0.00 0.00 0.00 175.10 176.45 3hri h ASP 384 N 3.27 0.69 -4.18 3.32 3.32 -1.25 -3.36 116.42 118.23 3hri h ASP 384 Ca -0.46 -0.85 -0.46 0.00 0.02 0.00 0.00 57.03 55.29 3hri h ASP 384 Cb 1.21 -0.22 -0.28 0.00 0.22 0.00 0.00 39.33 40.25 3hri h ASP 384 CO 0.48 1.46 -0.80 -1.81 -1.72 0.00 0.00 179.24 176.85 3hri s ASP 385 N -7.15 1.50 -0.27 6.45 1.01 -0.43 -1.48 116.67 116.31 3hri s ASP 385 Ca -0.11 -0.26 0.02 0.00 0.71 0.00 0.00 52.55 52.91 3hri s ASP 385 Cb 0.04 -0.16 0.06 0.00 1.01 0.00 0.00 42.92 43.87 3hri s ASP 385 CO 0.88 0.14 -0.09 -0.22 0.21 0.00 0.00 175.17 176.09 3hri s LEU 386 N -0.40 3.55 0.16 1.23 2.96 -0.13 -0.33 118.68 125.72 3hri s LEU 386 Ca 0.04 -1.41 -0.30 0.00 -0.22 0.00 0.00 54.13 52.24 3hri s LEU 386 Cb -0.05 -1.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.99 3hri s LEU 386 CO -0.00 -0.21 1.10 -0.69 -1.32 0.00 0.00 176.35 175.23 3hri s VAL 387 N 1.11 3.92 -0.24 1.68 1.01 0.88 -1.27 120.40 127.50 3hri s VAL 387 Ca -0.08 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.55 3hri s VAL 387 Cb -0.20 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.20 3hri s VAL 387 CO -0.05 0.27 -0.08 -0.63 0.00 0.00 0.00 175.10 174.61 3hri s ILE 388 N -0.12 1.80 0.13 2.22 1.01 0.16 -2.70 121.20 123.70 3hri s ILE 388 Ca 0.50 -1.37 -0.31 0.00 0.00 0.00 0.00 60.65 59.47 3hri s ILE 388 Cb -0.29 -1.98 -0.08 0.00 0.01 0.00 0.00 42.46 40.12 3hri s ILE 388 CO 0.34 -0.04 1.33 -2.84 0.00 0.00 0.00 174.94 173.73 3hri s PRO 389 N 1.28 4.36 0.30 2.79 0.02 -1.26 -0.35 135.00 142.14 3hri s PRO 389 Ca -0.07 2.01 0.01 0.00 0.02 0.00 0.00 61.00 62.98 3hri s PRO 389 Cb -0.19 -3.25 0.54 0.00 0.02 0.00 0.00 34.50 31.63 3hri s PRO 389 CO -0.06 -0.34 1.91 0.35 -0.33 0.00 0.00 177.00 178.52 3hri h PHE 390 N 6.33 1.04 -2.88 6.54 3.04 -1.74 -3.45 116.94 125.82 3hri h PHE 390 Ca -0.43 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.46 3hri h PHE 390 Cb 1.21 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 3hri h PHE 390 CO 0.65 0.53 0.04 -0.40 -2.02 0.00 0.00 178.31 177.10 3hri n ASP 391 N -4.50 -1.08 0.20 0.41 5.68 -1.26 -4.94 116.55 111.06 3hri n ASP 391 Ca 0.14 -2.02 0.14 0.00 -0.50 0.00 0.00 54.79 52.55 3hri n ASP 391 Cb 0.22 1.87 0.56 0.00 -1.14 0.00 0.00 41.12 42.63 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 -2.28 114.58 114.82 3hri h GLU 392 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3hri h GLU 392 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3hri h GLU 392 CO 0.23 0.00 0.00 1.79 -1.16 0.00 0.00 179.01 179.87 3hri h THR 393 N 0.00 0.00 -0.02 1.13 1.35 -1.98 -2.88 112.91 110.51 3hri h THR 393 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3hri h THR 393 Cb 0.47 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3hri h THR 393 CO 0.00 0.00 -0.02 0.23 -0.25 0.00 0.00 175.52 175.48 3hri n MET 394 N -2.67 1.77 0.11 4.72 2.81 -0.86 -4.57 117.12 118.44 3hri n MET 394 Ca 0.04 -1.15 -0.13 0.00 -1.81 0.00 0.00 57.70 54.65 3hri n MET 394 Cb 0.42 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 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 2.82 -0.33 -0.93 0.03 2.43 -1.59 0.22 114.38 117.03 3hri h ARG 395 Ca 0.00 0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.44 3hri h ARG 395 Cb 0.61 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 30.10 3hri h ARG 395 CO 0.00 -0.22 0.42 -1.35 -1.51 0.00 0.00 179.97 177.31 3hri h PRO 396 N -0.34 0.36 0.10 0.20 0.11 -1.82 0.70 132.00 131.30 3hri h PRO 396 Ca 0.02 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 3hri h PRO 396 Cb 0.34 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.40 3hri h PRO 396 CO -0.07 0.24 -1.11 0.45 -0.21 0.00 0.00 178.00 177.29 3hri h HIS 397 N 0.37 0.93 -0.14 0.65 3.86 -1.65 -0.74 115.15 118.43 3hri h HIS 397 Ca 0.61 -0.58 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3hri h HIS 397 Cb 1.23 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.56 3hri h HIS 397 CO -0.12 1.42 -0.29 0.00 0.86 0.00 0.00 177.93 179.80 3hri h ALA 398 N 0.28 -0.30 -0.70 2.45 0.00 0.15 -1.79 119.26 119.35 3hri h ALA 398 Ca -0.17 0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hri h ALA 398 Cb 1.80 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 20.04 3hri h ALA 398 CO 0.21 -0.75 0.21 -0.07 0.00 0.00 0.00 179.25 178.85 3hri h LEU 399 N -0.35 0.10 -1.16 0.00 3.38 0.63 0.11 115.31 118.02 3hri h LEU 399 Ca 0.10 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hri h LEU 399 Cb 0.51 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3hri h LEU 399 CO -0.34 0.03 0.57 0.77 0.09 0.00 0.00 178.44 179.56 3hri h SER 400 N 0.33 0.94 0.00 -0.43 4.64 -0.54 -1.93 113.55 116.56 3hri h SER 400 Ca 0.39 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.52 3hri h SER 400 Cb 0.61 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hri h SER 400 CO -0.44 0.65 -0.59 0.40 -0.87 0.00 0.00 176.83 175.99 3hri h ILE 401 N 1.10 1.32 -0.13 0.95 2.04 -0.14 -2.87 117.51 119.77 3hri h ILE 401 Ca 0.34 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.39 3hri h ILE 401 Cb 0.00 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3hri h ILE 401 CO -0.10 0.57 -0.54 0.25 0.00 0.00 0.00 178.15 178.34 3hri h LEU 402 N 0.45 -1.70 -0.23 1.44 5.85 -0.15 -1.55 115.31 119.42 3hri h LEU 402 Ca 0.00 0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3hri h LEU 402 Cb 1.15 0.66 -0.07 0.00 0.37 0.00 0.00 40.66 42.77 3hri h LEU 402 CO 0.11 -0.48 -0.54 -0.09 -0.34 0.00 0.00 178.44 177.10 3hri h ARG 403 N -0.58 -0.49 -0.73 1.25 9.65 -1.38 -1.66 114.38 120.44 3hri h ARG 403 Ca 0.03 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.10 3hri h ARG 403 Cb 0.67 0.11 -0.13 0.00 -1.39 0.00 0.00 29.97 29.23 3hri h ARG 403 CO -0.43 -0.33 -0.08 0.00 2.80 0.00 0.00 179.97 181.93 3hri h ARG 404 N -0.51 0.05 -0.65 0.20 3.08 -1.27 0.63 114.38 115.91 3hri h ARG 404 Ca 0.05 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3hri h ARG 404 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 3hri h ARG 404 CO -0.49 0.03 0.34 -0.07 -1.07 0.00 0.00 179.97 178.72 3hri h LEU 405 N 0.05 0.82 -0.33 3.04 3.38 -0.77 -1.01 115.31 120.49 3hri h LEU 405 Ca 0.38 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 3hri h LEU 405 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hri h LEU 405 CO -0.70 0.69 -0.18 0.03 0.09 0.00 0.00 178.44 178.38 3hri h ARG 406 N 0.88 0.71 -0.95 1.13 3.08 0.23 -2.46 114.38 117.01 3hri h ARG 406 Ca 0.23 -0.32 0.13 0.00 0.07 0.00 0.00 59.98 60.09 3hri h ARG 406 Cb 0.06 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 3hri h ARG 406 CO -0.03 0.92 0.60 -0.44 -1.07 0.00 0.00 179.97 179.95 3hri h ASP 407 N 0.48 0.80 0.00 7.04 3.32 0.50 -0.92 116.42 127.64 3hri h ASP 407 Ca 0.07 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hri h ASP 407 Cb 0.72 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3hri h ASP 407 CO 0.05 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 3hri n ALA 408 N -2.39 2.52 0.00 3.45 0.00 -0.42 -4.88 120.51 118.81 3hri n ALA 408 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3hri n ALA 408 Cb 0.41 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.64 1.06 3.79 0.00 0.00 -0.35 -5.06 105.19 105.27 3hri n GLY 409 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.74 3.23 -0.24 1.61 0.52 -0.94 -5.00 118.95 117.39 3hri s ARG 410 Ca 0.00 1.28 -0.16 0.00 -0.52 0.00 0.00 55.73 56.33 3hri s ARG 410 Cb 0.00 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 3hri s ARG 410 CO 0.00 -0.90 0.41 -1.54 0.02 0.00 0.00 175.30 173.30 3hri s SER 411 N -2.64 6.37 0.12 0.23 1.04 -1.26 -4.10 113.70 113.46 3hri s SER 411 Ca 0.65 0.43 0.07 0.00 0.48 0.00 0.00 55.95 57.58 3hri s SER 411 Cb -0.18 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 3hri s SER 411 CO 0.36 -0.16 -0.16 0.00 0.98 0.00 0.00 173.24 174.27 3hri s ALA 412 N 1.79 1.62 0.31 5.32 0.00 -1.26 -0.94 121.76 128.59 3hri s ALA 412 Ca 0.18 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3hri s ALA 412 Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3hri s ALA 412 CO 0.09 0.17 0.19 0.34 0.00 0.00 0.00 175.76 176.55 3hri s ASP 413 N -2.35 1.59 0.01 0.00 2.15 0.55 -4.93 116.67 113.69 3hri s ASP 413 Ca 0.09 -1.62 -0.05 0.00 0.43 0.00 0.00 52.55 51.40 3hri s ASP 413 Cb -0.06 0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 43.00 3hri s ASP 413 CO 0.04 -0.94 0.08 -0.51 -0.17 0.00 0.00 175.17 173.67 3hri s ILE 414 N -3.57 0.09 -0.20 4.11 2.07 -1.26 -0.08 121.20 122.36 3hri s ILE 414 Ca 0.36 -0.75 -0.29 0.00 -1.41 0.00 0.00 60.65 58.56 3hri s ILE 414 Cb 0.04 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 3hri s ILE 414 CO 0.20 -0.41 1.41 -0.69 -1.91 0.00 0.00 174.94 173.53 3hri s VAL 415 N -1.39 4.01 -0.11 4.00 1.01 -1.10 -4.94 120.40 121.89 3hri s VAL 415 Ca -0.15 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.94 3hri s VAL 415 Cb -0.08 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3hri s VAL 415 CO 0.01 -0.26 0.18 -0.26 0.00 0.00 0.00 175.10 174.77 3hri h PHE 416 N 9.28 0.00 -2.59 5.22 0.04 -2.00 -3.47 116.94 123.43 3hri h PHE 416 Ca -0.30 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.01 3hri h PHE 416 Cb 1.12 0.00 0.11 0.00 2.20 0.00 0.00 35.95 39.38 3hri h PHE 416 CO 0.86 0.27 0.20 -0.51 -0.60 0.00 0.00 178.31 178.53 3hri s ASP 417 N -5.74 3.92 -0.05 2.17 1.11 -1.26 -5.03 116.67 111.79 3hri s ASP 417 Ca -0.06 -0.24 -0.30 0.00 0.18 0.00 0.00 52.55 52.13 3hri s ASP 417 Cb -0.01 -0.00 -0.05 0.00 1.07 0.00 0.00 42.92 43.94 3hri s ASP 417 CO 0.19 -2.16 1.44 -1.59 1.18 0.00 0.00 175.17 174.23 3hri s LYS 418 N -5.37 4.24 0.11 8.23 0.00 -1.26 -5.02 119.74 120.67 3hri s LYS 418 Ca 0.69 1.97 0.03 0.00 0.00 0.00 0.00 55.97 58.66 3hri s LYS 418 Cb -0.04 -3.73 -0.04 0.00 0.00 0.00 0.00 37.83 34.02 3hri s LYS 418 CO 0.47 -0.68 -0.09 0.15 0.00 0.00 0.00 175.35 175.20 3hri s LYS 419 N 3.09 0.89 0.35 1.78 -0.14 -1.26 -5.14 119.74 119.30 3hri s LYS 419 Ca 0.65 -1.27 -0.16 0.00 -1.36 0.00 0.00 55.97 53.83 3hri s LYS 419 Cb -0.30 -0.46 -0.09 0.00 -1.68 0.00 0.00 37.83 35.29 3hri s LYS 419 CO 0.25 0.05 0.78 -1.59 -0.76 0.00 0.00 175.35 174.08 3hri s LYS 420 N -3.27 4.05 0.22 1.68 -2.85 -1.26 -4.91 119.74 113.39 3hri s LYS 420 Ca 0.10 0.76 -0.08 0.00 -1.00 0.00 0.00 55.97 55.74 3hri s LYS 420 Cb 0.00 -2.38 0.35 0.00 -2.06 0.00 0.00 37.83 33.74 3hri s LYS 420 CO -0.01 0.12 1.70 -0.39 0.10 0.00 0.00 175.35 176.87 3hri h VAL 421 N 1.94 0.62 0.00 1.79 -1.51 -1.94 0.14 116.25 117.29 3hri h VAL 421 Ca -0.48 -0.10 -0.05 0.00 -1.23 0.00 0.00 66.70 64.84 3hri h VAL 421 Cb 1.18 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 3hri h VAL 421 CO 0.64 0.05 -0.25 -0.37 -1.23 0.00 0.00 177.57 176.42 3hri h VAL 422 N 0.29 0.71 -0.11 7.19 -1.51 -1.99 -1.13 116.25 119.70 3hri h VAL 422 Ca 0.35 -1.09 -0.21 0.00 -1.23 0.00 0.00 66.70 64.51 3hri h VAL 422 Cb 0.53 1.69 0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3hri h VAL 422 CO -0.42 0.25 -0.80 -0.61 -1.23 0.00 0.00 177.57 174.76 3hri h GLN 423 N 0.00 0.63 -0.34 5.19 4.15 -1.23 -2.87 115.11 120.65 3hri h GLN 423 Ca -0.00 -0.54 -0.05 0.00 0.77 0.00 0.00 58.65 58.82 3hri h GLN 423 Cb 0.67 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 3hri h GLN 423 CO 0.03 1.16 0.01 0.00 -1.93 0.00 0.00 178.83 178.10 3hri h ALA 424 N 0.68 0.46 0.00 3.38 0.00 -0.33 -2.66 119.26 120.80 3hri h ALA 424 Ca -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3hri h ALA 424 Cb 1.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hri h ALA 424 CO 0.15 0.21 -0.06 0.74 0.00 0.00 0.00 179.25 180.29 3hri h PHE 425 N 0.41 0.00 -0.11 0.00 0.04 -1.28 0.78 116.94 116.78 3hri h PHE 425 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3hri h PHE 425 Cb 0.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3hri h PHE 425 CO 0.04 0.06 0.05 -0.91 -0.60 0.00 0.00 178.31 176.95 3hri h ASN 426 N 0.00 0.15 -0.27 2.17 4.21 -1.32 -2.49 115.58 118.03 3hri h ASN 426 Ca -0.00 -0.13 -0.05 0.00 1.21 0.00 0.00 56.30 57.33 3hri h ASN 426 Cb 0.12 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 3hri h ASN 426 CO 0.01 0.24 0.02 0.22 -1.29 0.00 0.00 177.43 176.63 3hri h TYR 427 N 0.04 0.58 0.06 1.19 3.20 -0.84 0.80 116.97 122.01 3hri h TYR 427 Ca 0.04 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hri h TYR 427 Cb 0.13 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hri h TYR 427 CO -0.03 0.55 -0.03 0.00 -1.64 0.00 0.00 178.16 177.02 3hri h ALA 428 N 1.49 -0.08 -0.53 1.82 0.00 -0.87 -2.78 119.26 118.31 3hri h ALA 428 Ca 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3hri h ALA 428 Cb 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hri h ALA 428 CO 0.01 -0.50 -0.11 0.22 0.00 0.00 0.00 179.25 178.86 3hri h ASP 429 N -0.16 1.01 0.00 0.00 3.58 -1.07 0.17 116.42 119.95 3hri h ASP 429 Ca -0.01 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.09 3hri h ASP 429 Cb 0.14 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3hri h ASP 429 CO 0.01 1.13 0.00 0.54 -2.88 0.00 0.00 179.24 178.04 3hri n ARG 430 N -4.17 0.54 0.00 0.28 5.12 0.28 -3.49 116.66 115.22 3hri n ARG 430 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3hri n ARG 430 Cb 0.40 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 3hri n ARG 430 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3hri n ILE 431 N -0.71 0.00 0.00 0.55 -6.64 -1.06 -4.99 119.36 106.50 3hri n ILE 431 Ca 0.06 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 3hri n ILE 431 Cb 0.03 1.42 0.00 0.00 -1.44 0.00 0.00 39.64 39.64 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 0.00 4.51 7.00 3.28 0.00 -1.16 -4.11 105.19 114.71 3hri n GLY 432 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.58 -4.52 120.51 121.18 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 -1.26 -4.10 117.00 112.24 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 0.02 -0.60 -1.22 0.00 0.00 177.39 175.59 3hri s ARG 435 N 0.00 0.37 -0.27 3.23 3.52 -0.55 -2.57 118.95 122.68 3hri s ARG 435 Ca 0.00 0.67 -0.07 0.00 -0.13 0.00 0.00 55.73 56.20 3hri s ARG 435 Cb 0.00 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.40 3hri s ARG 435 CO 0.00 -0.13 0.08 0.00 -0.81 0.00 0.00 175.30 174.44 3hri s ALA 436 N 1.04 3.12 -0.55 6.12 0.00 0.24 -0.96 121.76 130.77 3hri s ALA 436 Ca -0.07 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 3hri s ALA 436 Cb -0.07 -2.12 0.14 0.00 0.00 0.00 0.00 23.12 21.07 3hri s ALA 436 CO -0.08 -0.70 0.46 0.08 0.00 0.00 0.00 175.76 175.51 3hri s VAL 437 N 1.56 4.67 0.07 0.00 1.01 -0.39 -1.36 120.40 125.96 3hri s VAL 437 Ca 0.05 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 59.90 3hri s VAL 437 Cb -0.16 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3hri s VAL 437 CO 0.03 -0.85 0.76 -0.22 0.00 0.00 0.00 175.10 174.82 3hri s LEU 438 N 1.17 4.48 -0.44 3.92 0.20 -0.07 0.38 118.68 128.32 3hri s LEU 438 Ca 0.07 1.47 0.03 0.00 0.69 0.00 0.00 54.13 56.40 3hri s LEU 438 Cb -0.25 -3.23 0.12 0.00 -0.43 0.00 0.00 46.19 42.41 3hri s LEU 438 CO -0.01 0.06 0.19 -0.69 -0.29 0.00 0.00 176.35 175.61 3hri s VAL 439 N -0.29 2.15 0.10 1.68 1.01 0.53 -1.13 120.40 124.45 3hri s VAL 439 Ca 0.38 -2.77 0.06 0.00 0.00 0.00 0.00 61.98 59.64 3hri s VAL 439 Cb -0.21 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3hri s VAL 439 CO 0.23 -0.75 -0.05 0.00 0.00 0.00 0.00 175.10 174.53 3hri s ALA 440 N 0.29 3.12 0.10 5.51 0.00 -1.26 -1.92 121.76 127.59 3hri s ALA 440 Ca 0.15 -1.18 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 3hri s ALA 440 Cb -0.23 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 3hri s ALA 440 CO -0.04 0.67 1.57 -1.00 0.00 0.00 0.00 175.76 176.96 3hri h PRO 441 N 3.53 0.45 -0.78 0.00 0.13 -1.98 0.13 132.00 133.48 3hri h PRO 441 Ca -0.48 -0.12 0.15 0.00 -0.87 0.00 0.00 66.00 64.68 3hri h PRO 441 Cb 1.17 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 3hri h PRO 441 CO 0.56 0.56 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.24 3hri h ASP 442 N 0.27 -0.78 0.01 1.44 5.19 -1.97 0.82 116.42 121.40 3hri h ASP 442 Ca 0.08 0.24 -0.24 0.00 -0.62 0.00 0.00 57.03 56.49 3hri h ASP 442 Cb 0.33 0.50 0.02 0.00 0.18 0.00 0.00 39.33 40.36 3hri h ASP 442 CO 0.01 -0.26 -0.94 -0.33 -3.12 0.00 0.00 179.24 174.59 3hri h GLU 443 N -0.01 0.61 -1.00 3.56 3.07 -1.74 -3.25 114.58 115.82 3hri h GLU 443 Ca 0.37 -0.68 0.01 0.00 -0.50 0.00 0.00 59.36 58.56 3hri h GLU 443 Cb 0.58 0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.63 3hri h GLU 443 CO -0.81 1.27 0.66 2.35 -1.40 0.00 0.00 179.01 181.08 3hri h TRP 444 N 0.24 1.27 -0.83 4.33 2.91 -0.13 0.95 115.95 124.68 3hri h TRP 444 Ca -0.12 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.05 3hri h TRP 444 Cb 1.61 -0.43 -0.09 0.00 -0.51 0.00 0.00 29.16 29.75 3hri h TRP 444 CO 0.12 0.80 0.43 0.00 -1.03 0.00 0.00 178.44 178.77 3hri h ALA 445 N 1.36 1.22 -0.23 2.65 0.00 -0.89 -0.49 119.26 122.88 3hri h ALA 445 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hri h ALA 445 Cb -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hri h ALA 445 CO -0.08 -0.04 0.00 2.89 0.00 0.00 0.00 179.25 182.02 3hri n ARG 446 N -4.84 2.18 -3.04 0.00 0.00 -0.72 -4.88 116.66 105.36 3hri n ARG 446 Ca 0.16 -1.10 -0.14 0.00 -0.00 0.00 0.00 57.85 56.77 3hri n ARG 446 Cb 0.38 -1.60 0.04 0.00 -0.00 0.00 0.00 32.46 31.28 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 0.45 0.07 3.14 2.89 0.00 -0.19 -5.04 105.19 106.51 3hri n GLY 447 Ca 0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.65 0.85 0.20 1.61 1.03 0.25 -4.39 118.70 112.61 3hri s GLU 448 Ca 0.31 -1.37 0.01 0.00 0.03 0.00 0.00 54.97 53.94 3hri s GLU 448 Cb -0.13 0.24 -0.05 0.00 -0.80 0.00 0.00 34.13 33.39 3hri s GLU 448 CO 0.38 -0.23 0.07 0.14 -1.33 0.00 0.00 175.26 174.30 3hri s VAL 449 N -4.01 0.40 -0.02 1.83 -7.23 -0.45 -2.27 120.40 108.64 3hri s VAL 449 Ca 0.20 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3hri s VAL 449 Cb 0.07 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3hri s VAL 449 CO -0.01 -0.20 0.10 -0.60 -0.31 0.00 0.00 175.10 174.08 3hri s ARG 450 N -4.03 3.18 -0.30 4.82 3.52 -0.28 -1.99 118.95 123.86 3hri s ARG 450 Ca 0.32 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.49 3hri s ARG 450 Cb 0.07 -2.94 0.12 0.00 -1.56 0.00 0.00 34.95 30.64 3hri s ARG 450 CO 0.09 0.67 0.19 0.08 -0.81 0.00 0.00 175.30 175.52 3hri s VAL 451 N -1.18 -0.12 -0.30 7.11 1.01 -0.43 -0.89 120.40 125.60 3hri s VAL 451 Ca 0.22 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3hri s VAL 451 Cb -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3hri s VAL 451 CO 0.13 -0.71 0.16 -0.54 0.00 0.00 0.00 175.10 174.14 3hri s LYS 452 N 1.95 3.54 0.11 2.72 1.02 -0.46 -3.84 119.74 124.78 3hri s LYS 452 Ca 0.11 -0.58 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 3hri s LYS 452 Cb -0.17 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.51 3hri s LYS 452 CO -0.28 -0.33 0.86 -1.64 -0.92 0.00 0.00 175.35 173.04 3hri s MET 453 N 1.66 4.62 -0.93 1.68 -1.94 -1.26 -0.59 119.30 122.54 3hri s MET 453 Ca 0.06 1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 55.29 3hri s MET 453 Cb -0.16 -3.34 0.34 0.00 2.01 0.00 0.00 34.83 33.67 3hri s MET 453 CO 0.07 0.34 1.92 1.28 -0.01 0.00 0.00 175.02 178.62 3hri n LEU 454 N 2.42 7.41 0.04 -0.03 4.32 -1.06 -4.97 117.00 125.13 3hri n LEU 454 Ca -0.01 -5.10 -0.20 0.00 -0.02 0.00 0.00 56.01 50.68 3hri n LEU 454 Cb 0.49 -1.11 -0.11 0.00 -1.62 0.00 0.00 43.42 41.08 3hri n LEU 454 CO 0.49 1.90 0.10 0.03 -1.22 0.00 0.00 177.39 178.69 3hri h ARG 455 N 3.54 0.66 0.00 3.23 3.08 -1.94 -3.42 114.38 119.53 3hri h ARG 455 Ca 0.55 -0.71 -0.32 0.00 0.07 0.00 0.00 59.98 59.56 3hri h ARG 455 Cb 0.17 0.20 0.13 0.00 0.08 0.00 0.00 29.97 30.55 3hri h ARG 455 CO 1.31 1.30 0.31 0.41 -1.07 0.00 0.00 179.97 182.23 3hri n GLY 468 N 1.08 -1.34 3.61 0.04 0.00 -1.26 -5.11 105.19 102.21 3hri n GLY 468 Ca -0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.14 -0.32 0.02 -0.61 -5.25 -1.25 -4.91 121.20 105.74 3hri s ILE 469 Ca 0.56 0.00 -0.22 0.00 -0.99 0.00 0.00 60.65 60.01 3hri s ILE 469 Cb -0.02 -1.00 -0.06 0.00 2.95 0.00 0.00 42.46 44.34 3hri s ILE 469 CO 0.39 0.00 0.64 -0.69 -1.79 0.00 0.00 174.94 173.49 3hri s VAL 470 N 1.99 4.85 0.00 8.37 1.01 -1.26 -1.31 120.40 134.05 3hri s VAL 470 Ca -0.08 1.34 -0.08 0.00 0.00 0.00 0.00 61.98 63.16 3hri s VAL 470 Cb -0.06 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3hri s VAL 470 CO -0.18 0.42 0.16 -0.76 0.00 0.00 0.00 175.10 174.73 3hri s LEU 471 N -0.24 1.48 0.07 3.92 1.43 -0.84 -4.97 118.68 119.53 3hri s LEU 471 Ca 0.33 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 3hri s LEU 471 Cb -0.19 0.74 -0.12 0.00 0.03 0.00 0.00 46.19 46.65 3hri s LEU 471 CO 0.19 -0.38 1.59 -0.65 0.23 0.00 0.00 176.35 177.33 3hri h PRO 472 N 4.21 0.19 0.00 1.29 0.11 -1.89 -1.19 132.00 134.71 3hri h PRO 472 Ca -0.31 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.57 3hri h PRO 472 Cb 1.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3hri h PRO 472 CO 0.41 0.31 -2.19 0.28 -0.21 0.00 0.00 178.00 176.60 3hri n VAL 473 N -4.89 0.75 -1.33 3.15 0.31 -1.26 -4.66 118.33 110.41 3hri n VAL 473 Ca -0.05 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 3hri n VAL 473 Cb 0.13 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 3hri n VAL 473 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98