#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hri s VAL 48 N 0.00 3.27 -0.37 1.12 -7.23 -1.26 -4.90 120.40 111.03 3hri s VAL 48 Ca 0.00 0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 60.30 3hri s VAL 48 Cb 0.00 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.68 3hri s VAL 48 CO 0.00 -0.54 2.31 -1.84 -0.31 0.00 0.00 175.10 174.72 3hri n GLU 49 N -3.34 1.40 0.23 4.82 0.28 -1.26 -4.81 120.64 117.96 3hri n GLU 49 Ca 0.07 0.28 0.12 0.00 -0.16 0.00 0.00 57.16 57.47 3hri n GLU 49 Cb 0.56 -3.11 0.29 0.00 1.43 0.00 0.00 31.44 30.61 3hri n GLU 49 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3hri h THR 50 N 7.39 0.11 -4.20 3.84 1.35 -2.09 -3.44 112.91 115.86 3hri h THR 50 Ca -0.31 -1.00 -0.49 0.00 -0.55 0.00 0.00 66.41 64.06 3hri h THR 50 Cb 1.27 1.91 0.06 0.00 -1.73 0.00 0.00 68.15 69.66 3hri h THR 50 CO 1.06 0.06 0.38 -1.61 -0.25 0.00 0.00 175.52 175.15 3hri s GLU 51 N -3.32 3.33 0.72 4.72 2.02 -1.26 -5.06 118.70 119.86 3hri s GLU 51 Ca 0.05 1.19 -0.11 0.00 0.02 0.00 0.00 54.97 56.11 3hri s GLU 51 Cb 0.06 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.28 3hri s GLU 51 CO 0.65 -0.80 1.10 -1.25 0.02 0.00 0.00 175.26 174.97 3hri s PRO 52 N -4.11 2.71 0.11 0.39 0.04 -1.26 -4.97 135.00 127.91 3hri s PRO 52 Ca 0.63 0.50 -0.35 0.00 0.04 0.00 0.00 61.00 61.82 3hri s PRO 52 Cb -0.16 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 3hri s PRO 52 CO 0.37 -1.15 1.21 0.28 0.04 0.00 0.00 177.00 177.76 3hri n VAL 53 N -3.09 0.42 -1.43 -0.36 0.31 -1.26 -4.73 118.33 108.19 3hri n VAL 53 Ca 0.07 -0.11 -0.52 0.00 -0.01 0.00 0.00 64.34 63.77 3hri n VAL 53 Cb 0.57 -0.71 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 3hri n VAL 53 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hri n GLN 54 N 2.05 0.00 -1.17 5.55 -0.06 -1.26 -1.52 117.38 120.97 3hri n GLN 54 Ca 0.17 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.11 3hri n GLN 54 Cb 0.20 -1.20 -0.02 0.00 -4.06 0.00 0.00 30.24 25.16 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 1.78 0.79 3.33 1.69 0.00 -1.26 -4.94 105.19 106.57 3hri n GLY 55 Ca 0.19 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.33 3.75 0.25 0.00 0.52 -1.26 -4.75 118.95 115.12 3hri s ARG 57 Ca 0.12 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 3hri s ARG 57 Cb -0.08 -3.03 -0.09 0.00 0.52 0.00 0.00 34.95 32.27 3hri s ARG 57 CO 0.06 0.22 1.00 -0.51 0.02 0.00 0.00 175.30 176.09 3hri s ASP 58 N 0.46 7.50 -0.82 0.23 1.01 -1.26 -5.01 116.67 118.77 3hri s ASP 58 Ca -0.01 2.07 0.01 0.00 0.71 0.00 0.00 52.55 55.33 3hri s ASP 58 Cb -0.14 -2.62 0.24 0.00 1.01 0.00 0.00 42.92 41.42 3hri s ASP 58 CO 0.02 0.03 0.87 0.49 0.21 0.00 0.00 175.17 176.79 3hri n PHE 59 N 1.40 3.57 -0.87 4.23 3.01 -1.26 -4.92 117.46 122.63 3hri n PHE 59 Ca -0.02 -3.89 -0.30 0.00 1.01 0.00 0.00 57.45 54.26 3hri n PHE 59 Cb 0.46 -0.91 0.16 0.00 -0.01 0.00 0.00 39.48 39.19 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 -2.02 0.95 0.35 -1.08 0.04 -1.26 -4.23 135.00 127.75 3hri s PRO 60 Ca 0.32 1.22 0.16 0.00 0.04 0.00 0.00 61.00 62.74 3hri s PRO 60 Cb 0.03 -1.74 1.09 0.00 0.04 0.00 0.00 34.50 33.91 3hri s PRO 60 CO -0.05 -2.57 1.68 -1.35 0.04 0.00 0.00 177.00 174.75 3hri h PRO 61 N -1.81 0.34 -0.66 0.56 0.11 -1.97 0.59 132.00 129.16 3hri h PRO 61 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3hri h PRO 61 Cb 1.28 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3hri h PRO 61 CO 0.47 0.23 0.37 1.05 -0.21 0.00 0.00 178.00 179.91 3hri h GLU 62 N 0.35 0.68 0.12 1.05 4.11 -1.99 -2.43 114.58 116.47 3hri h GLU 62 Ca 0.71 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.94 3hri h GLU 62 Cb 1.67 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 30.78 3hri h GLU 62 CO -0.53 0.45 -0.69 1.15 0.07 0.00 0.00 179.01 179.46 3hri h THR 63 N 0.70 1.56 -0.26 -1.06 2.02 -0.34 -3.34 112.91 112.18 3hri h THR 63 Ca 0.29 -2.51 -0.01 0.00 0.77 0.00 0.00 66.41 64.95 3hri h THR 63 Cb 0.16 3.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 3hri h THR 63 CO -0.17 0.70 0.12 -0.03 0.37 0.00 0.00 175.52 176.51 3hri h MET 64 N -0.47 0.36 -0.26 6.66 -1.53 -0.50 -1.94 114.93 117.25 3hri h MET 64 Ca -0.12 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.01 3hri h MET 64 Cb 1.55 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 32.51 3hri h MET 64 CO 0.13 0.29 -0.23 -0.09 0.14 0.00 0.00 176.91 177.15 3hri h ARG 65 N 0.36 0.48 -0.15 0.39 2.43 -1.55 0.92 114.38 117.26 3hri h ARG 65 Ca 0.09 -0.17 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 3hri h ARG 65 Cb 0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3hri h ARG 65 CO -0.01 0.68 -0.72 1.25 -1.51 0.00 0.00 179.97 179.66 3hri h LEU 66 N 0.42 0.77 -0.76 3.80 5.85 -1.49 -2.40 115.31 121.51 3hri h LEU 66 Ca 0.07 -0.49 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 3hri h LEU 66 Cb 0.63 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3hri h LEU 66 CO 0.05 1.26 -0.16 -0.09 -0.34 0.00 0.00 178.44 179.15 3hri h ARG 67 N 0.46 0.77 0.00 1.25 2.43 -0.85 -1.92 114.38 116.52 3hri h ARG 67 Ca -0.03 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.77 3hri h ARG 67 Cb 1.32 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3hri h ARG 67 CO 0.14 0.89 -0.38 -0.22 -1.51 0.00 0.00 179.97 178.89 3hri h LYS 68 N 0.69 0.00 -0.31 0.20 3.64 -0.85 -0.95 116.57 118.99 3hri h LYS 68 Ca 0.11 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3hri h LYS 68 Cb 0.66 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3hri h LYS 68 CO 0.05 0.38 -0.21 -0.92 -2.27 0.00 0.00 179.45 176.48 3hri h TYR 69 N 0.00 0.80 0.26 1.91 3.20 -0.90 -1.52 116.97 120.71 3hri h TYR 69 Ca -0.00 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 3hri h TYR 69 Cb 0.85 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3hri h TYR 69 CO 0.00 0.93 -0.12 1.25 -1.64 0.00 0.00 178.16 178.58 3hri h LEU 70 N 0.44 -0.29 -1.53 2.82 5.85 -1.13 -3.00 115.31 118.47 3hri h LEU 70 Ca 0.06 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3hri h LEU 70 Cb 0.75 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hri h LEU 70 CO 0.06 -0.01 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.64 3hri h PHE 71 N -0.58 0.00 -0.69 1.25 -1.00 -1.22 0.40 116.94 115.10 3hri h PHE 71 Ca -0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 3hri h PHE 71 Cb 0.42 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 3hri h PHE 71 CO 0.00 0.24 0.18 -0.44 -1.61 0.00 0.00 178.31 176.69 3hri h ASP 72 N 0.00 1.02 -0.60 2.17 3.32 -1.31 0.19 116.42 121.21 3hri h ASP 72 Ca -0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3hri h ASP 72 Cb 0.44 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3hri h ASP 72 CO 0.03 0.97 0.30 0.58 -1.72 0.00 0.00 179.24 179.40 3hri h VAL 73 N 1.04 1.20 0.16 -1.35 2.07 -0.79 0.17 116.25 118.75 3hri h VAL 73 Ca 0.22 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3hri h VAL 73 Cb 0.34 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3hri h VAL 73 CO -0.00 0.24 -0.08 -0.26 0.02 0.00 0.00 177.57 177.50 3hri h PHE 74 N 0.88 -0.19 -0.34 1.57 0.04 -0.89 -1.73 116.94 116.28 3hri h PHE 74 Ca 0.22 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.04 3hri h PHE 74 Cb 0.09 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 3hri h PHE 74 CO 0.01 0.15 -0.02 0.45 -0.60 0.00 0.00 178.31 178.30 3hri h HIS 75 N -0.56 -0.05 -0.56 -0.55 3.86 -0.50 -1.49 115.15 115.31 3hri h HIS 75 Ca -0.02 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3hri h HIS 75 Cb 0.43 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3hri h HIS 75 CO 0.03 -0.08 0.12 1.03 0.86 0.00 0.00 177.93 179.90 3hri h SER 76 N 0.07 0.85 -0.51 2.45 0.87 -0.61 0.96 113.55 117.63 3hri h SER 76 Ca 0.16 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3hri h SER 76 Cb 0.23 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3hri h SER 76 CO -0.29 0.87 0.31 0.74 -0.53 0.00 0.00 176.83 177.93 3hri h THR 77 N 0.80 1.16 -0.44 2.23 2.02 -1.22 -1.15 112.91 116.31 3hri h THR 77 Ca 0.17 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 3hri h THR 77 Cb 0.36 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3hri h THR 77 CO 0.00 0.16 -0.00 0.00 0.37 0.00 0.00 175.52 176.05 3hri h ALA 78 N 1.15 1.17 0.29 6.16 0.00 -0.40 0.14 119.26 127.77 3hri h ALA 78 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hri h ALA 78 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hri h ALA 78 CO -0.03 0.54 -0.14 -0.09 0.00 0.00 0.00 179.25 179.53 3hri h ARG 79 N 0.67 -0.38 -0.87 0.00 2.43 -0.67 0.52 114.38 116.08 3hri h ARG 79 Ca 0.13 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.47 3hri h ARG 79 Cb 0.42 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.97 3hri h ARG 79 CO 0.02 -0.05 0.48 0.87 -1.51 0.00 0.00 179.97 179.78 3hri h LYS 80 N -0.76 0.69 -0.01 0.20 1.57 -1.03 0.57 116.57 117.80 3hri h LYS 80 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3hri h LYS 80 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hri h LYS 80 CO 0.07 0.46 0.00 1.19 -0.57 0.00 0.00 179.45 180.59 3hri n PHE 81 N -4.81 0.01 -2.53 -1.35 3.72 0.48 -4.90 117.46 108.09 3hri n PHE 81 Ca 0.17 -0.01 -0.19 0.00 -0.05 0.00 0.00 57.45 57.37 3hri n PHE 81 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3hri n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hri n GLY 82 N 0.56 -0.41 3.87 1.37 0.00 0.20 -5.00 105.19 105.79 3hri n GLY 82 Ca 0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.99 3.42 -0.12 1.61 0.40 0.17 -4.83 117.98 115.65 3hri s PHE 83 Ca 0.08 0.88 -0.06 0.00 -0.60 0.00 0.00 56.93 57.24 3hri s PHE 83 Cb -0.04 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3hri s PHE 83 CO 0.10 0.26 0.10 -1.21 0.70 0.00 0.00 175.22 175.17 3hri s GLU 84 N -2.84 3.37 0.35 0.44 2.02 0.13 -4.46 118.70 117.72 3hri s GLU 84 Ca 0.48 -0.22 -0.25 0.00 0.02 0.00 0.00 54.97 54.99 3hri s GLU 84 Cb -0.11 -3.09 -0.10 0.00 0.10 0.00 0.00 34.13 30.93 3hri s GLU 84 CO 0.21 0.71 0.97 -2.00 0.02 0.00 0.00 175.26 175.17 3hri s GLU 85 N -0.85 4.45 0.13 1.61 2.12 -1.26 -0.90 118.70 124.01 3hri s GLU 85 Ca 0.14 1.34 0.03 0.00 0.36 0.00 0.00 54.97 56.83 3hri s GLU 85 Cb -0.12 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 3hri s GLU 85 CO 0.03 0.15 -0.06 1.52 -0.54 0.00 0.00 175.26 176.36 3hri s TYR 86 N -1.70 1.10 0.23 5.30 -0.85 0.14 -4.84 117.35 116.74 3hri s TYR 86 Ca 0.53 -0.89 -0.05 0.00 -0.52 0.00 0.00 57.07 56.15 3hri s TYR 86 Cb -0.18 -0.61 -0.03 0.00 0.38 0.00 0.00 41.96 41.53 3hri s TYR 86 CO 0.23 -0.08 0.26 0.34 -1.52 0.00 0.00 175.55 174.78 3hri s ASP 87 N -3.12 0.16 0.08 -0.18 2.15 -1.26 -4.46 116.67 110.03 3hri s ASP 87 Ca 0.16 -1.26 -0.27 0.00 0.43 0.00 0.00 52.55 51.62 3hri s ASP 87 Cb 0.05 0.47 0.08 0.00 -0.30 0.00 0.00 42.92 43.21 3hri s ASP 87 CO -0.01 -0.96 0.92 -0.94 -0.17 0.00 0.00 175.17 174.01 3hri s SER 88 N -3.12 -0.27 0.59 -0.34 1.04 -1.26 -5.13 113.70 105.21 3hri s SER 88 Ca 0.33 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 3hri s SER 88 Cb 0.04 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3hri s SER 88 CO 0.12 -0.76 1.26 -2.84 0.98 0.00 0.00 173.24 172.00 3hri s PRO 89 N -3.21 2.91 0.45 4.02 0.02 -1.26 -4.87 135.00 133.07 3hri s PRO 89 Ca 0.09 1.98 0.24 0.00 0.02 0.00 0.00 61.00 63.33 3hri s PRO 89 Cb -0.01 -1.99 1.01 0.00 0.02 0.00 0.00 34.50 33.53 3hri s PRO 89 CO -0.04 -1.29 1.87 -0.39 -0.33 0.00 0.00 177.00 176.82 3hri h VAL 90 N 0.94 0.58 -3.59 3.83 -1.51 -1.94 -3.41 116.25 111.15 3hri h VAL 90 Ca -0.51 -1.04 -0.64 0.00 -1.23 0.00 0.00 66.70 63.28 3hri h VAL 90 Cb 1.31 1.70 -0.14 0.00 -2.13 0.00 0.00 31.29 32.02 3hri h VAL 90 CO 0.55 0.21 0.17 -0.22 -1.23 0.00 0.00 177.57 177.05 3hri s LEU 91 N -6.89 4.38 0.15 4.19 2.96 -1.26 -2.22 118.68 119.99 3hri s LEU 91 Ca -0.00 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3hri s LEU 91 Cb 0.11 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3hri s LEU 91 CO 0.63 -0.74 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.18 3hri s GLU 92 N 2.86 1.11 0.35 1.98 0.41 -0.67 -4.97 118.70 119.77 3hri s GLU 92 Ca 0.24 -1.40 -0.29 0.00 -0.41 0.00 0.00 54.97 53.12 3hri s GLU 92 Cb -0.14 -0.86 -0.11 0.00 -1.78 0.00 0.00 34.13 31.24 3hri s GLU 92 CO 0.18 0.14 1.47 0.45 -0.49 0.00 0.00 175.26 177.01 3hri s SER 93 N -2.91 6.44 0.11 -0.19 0.15 -1.26 -0.51 113.70 115.53 3hri s SER 93 Ca 0.15 2.95 -0.32 0.00 0.70 0.00 0.00 55.95 59.43 3hri s SER 93 Cb -0.01 -2.66 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 3hri s SER 93 CO 0.03 -0.81 1.58 -0.08 1.20 0.00 0.00 173.24 175.16 3hri h GLU 94 N 3.50 -0.67 -0.89 5.44 4.81 -1.72 -2.51 114.58 122.54 3hri h GLU 94 Ca -0.50 0.05 0.37 0.00 -0.13 0.00 0.00 59.36 59.15 3hri h GLU 94 Cb 1.23 0.15 -0.16 0.00 0.63 0.00 0.00 28.75 30.60 3hri h GLU 94 CO 0.68 -0.44 0.46 0.39 -0.73 0.00 0.00 179.01 179.37 3hri n GLU 95 N -5.47 -0.05 -0.27 1.92 1.02 -1.26 -0.44 120.64 116.07 3hri n GLU 95 Ca -0.08 1.23 0.08 0.00 -0.02 0.00 0.00 57.16 58.37 3hri n GLU 95 Cb 0.39 -2.20 0.22 0.00 -0.02 0.00 0.00 31.44 29.83 3hri n GLU 95 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hri h LEU 96 N 0.00 0.27 0.07 -4.62 5.85 -1.83 -0.74 115.31 114.31 3hri h LEU 96 Ca 0.75 0.13 -0.32 0.00 0.84 0.00 0.00 57.88 59.28 3hri h LEU 96 Cb 1.97 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 3hri h LEU 96 CO -0.69 0.06 -1.73 1.88 -0.34 0.00 0.00 178.44 177.62 3hri h TYR 97 N 0.42 0.26 -0.23 1.25 0.05 -0.91 -3.31 116.97 114.51 3hri h TYR 97 Ca 0.46 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 3hri h TYR 97 Cb 0.77 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 3hri h TYR 97 CO -0.17 1.34 -0.09 0.97 -1.05 0.00 0.00 178.16 179.16 3hri h ILE 98 N 0.04 1.19 0.00 -2.88 2.10 -1.33 -1.24 117.51 115.39 3hri h ILE 98 Ca -0.31 -0.81 -0.02 0.00 1.08 0.00 0.00 64.86 64.81 3hri h ILE 98 Cb 2.01 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 38.86 3hri h ILE 98 CO 0.10 0.26 -0.09 -0.09 -1.08 0.00 0.00 178.15 177.26 3hri h ARG 99 N 0.34 0.00 0.05 2.19 2.43 -1.25 0.12 114.38 118.27 3hri h ARG 99 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3hri h ARG 99 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hri h ARG 99 CO 0.02 0.09 -0.02 0.87 -1.51 0.00 0.00 179.97 179.41 3hri h LYS 100 N 0.00 -0.07 0.00 0.20 1.57 -1.33 -3.44 116.57 113.51 3hri h LYS 100 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hri h LYS 100 Cb 0.49 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hri h LYS 100 CO 0.01 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 3hri n ALA 101 N -2.69 2.02 0.00 3.86 0.00 -0.91 -5.14 120.51 117.66 3hri n ALA 101 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hri n ALA 101 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3hri n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hri n GLY 102 N 0.35 0.71 0.30 0.00 0.00 0.43 -4.68 105.19 102.28 3hri n GLY 102 Ca 0.00 -1.97 0.16 0.00 0.00 0.00 0.00 46.02 44.21 3hri n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hri h GLU 103 N 0.00 0.00 -0.79 1.61 5.08 -1.96 -2.98 114.58 115.55 3hri h GLU 103 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 3hri h GLU 103 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3hri h GLU 103 CO 0.00 0.02 0.53 1.05 -1.00 0.00 0.00 179.01 179.62 3hri h GLU 104 N 0.00 0.34 0.00 2.33 4.11 -1.96 -2.46 114.58 116.95 3hri h GLU 104 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3hri h GLU 104 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hri h GLU 104 CO 0.00 0.23 0.00 -0.84 0.07 0.00 0.00 179.01 178.47 3hri h ILE 105 N 0.35 0.00 -0.96 -1.06 3.07 -1.82 -2.92 117.51 114.17 3hri h ILE 105 Ca 0.40 -0.46 0.19 0.00 1.55 0.00 0.00 64.86 66.54 3hri h ILE 105 Cb 1.02 1.35 -0.08 0.00 -0.27 0.00 0.00 36.82 38.84 3hri h ILE 105 CO -0.12 0.00 0.61 0.71 -1.05 0.00 0.00 178.15 178.30 3hri h THR 106 N 0.00 0.71 -0.00 0.16 1.35 -1.67 -1.79 112.91 111.67 3hri h THR 106 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3hri h THR 106 Cb 0.58 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3hri h THR 106 CO 0.00 0.11 -0.07 -0.62 -0.25 0.00 0.00 175.52 174.69 3hri n GLU 107 N -4.62 0.45 -0.27 4.72 1.02 -1.10 -3.57 120.64 117.26 3hri n GLU 107 Ca 0.21 -0.09 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 3hri n GLU 107 Cb 0.62 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.73 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 -1.20 2.66 -4.21 3.49 6.02 -0.68 -4.95 117.38 118.51 3hri n GLN 108 Ca 0.13 -2.45 -0.16 0.00 -0.01 0.00 0.00 57.00 54.51 3hri n GLN 108 Cb 0.27 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 3hri n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hri s MET 109 N -2.16 1.62 -0.58 -1.09 0.23 -1.21 -1.14 119.30 114.98 3hri s MET 109 Ca 0.31 -1.82 -0.19 0.00 -1.03 0.00 0.00 55.69 52.96 3hri s MET 109 Cb 0.24 0.34 0.09 0.00 -1.53 0.00 0.00 34.83 33.97 3hri s MET 109 CO 0.09 -0.60 0.71 -0.06 -2.03 0.00 0.00 175.02 173.13 3hri s PHE 110 N -3.60 2.97 0.28 3.16 0.40 -1.26 -4.69 117.98 115.24 3hri s PHE 110 Ca 0.37 -0.81 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3hri s PHE 110 Cb 0.03 -3.93 -0.02 0.00 0.51 0.00 0.00 43.02 39.60 3hri s PHE 110 CO 0.21 -1.27 0.42 -0.80 0.70 0.00 0.00 175.22 174.47 3hri s ASN 111 N 3.41 6.21 0.10 1.36 0.01 -1.26 -1.73 114.94 123.04 3hri s ASN 111 Ca 0.14 0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 52.18 3hri s ASN 111 Cb -0.22 -1.70 0.05 0.00 0.41 0.00 0.00 41.25 39.79 3hri s ASN 111 CO 0.08 -0.20 0.70 2.22 -1.51 0.00 0.00 177.10 178.39 3hri n PHE 112 N -1.53 -0.95 -4.46 2.20 1.16 -0.72 -4.99 117.46 108.17 3hri n PHE 112 Ca -0.06 -0.77 -0.23 0.00 -1.87 0.00 0.00 57.45 54.52 3hri n PHE 112 Cb 0.57 0.37 -0.10 0.00 -1.61 0.00 0.00 39.48 38.71 3hri n PHE 112 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hri s ILE 113 N -2.21 1.97 0.00 1.97 1.09 -1.26 -2.32 121.20 120.44 3hri s ILE 113 Ca 0.16 -2.21 0.00 0.00 -1.10 0.00 0.00 60.65 57.50 3hri s ILE 113 Cb -0.02 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 38.96 3hri s ILE 113 CO 0.03 -0.33 0.00 0.35 -0.10 0.00 0.00 174.94 174.89 3hri n THR 114 N -0.62 0.00 -1.77 2.92 -2.24 -1.26 -5.00 114.28 106.30 3hri n THR 114 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hri n THR 114 Cb 0.62 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.63 -2.83 -4.06 4.78 -0.00 -1.26 -5.24 115.22 103.98 3hri n HIS 118 Ca 0.00 1.68 -0.34 0.00 -0.00 0.00 0.00 57.72 59.07 3hri n HIS 118 Cb 0.46 -3.08 -0.07 0.00 -0.00 0.00 0.00 29.99 27.31 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 -1.22 3.19 0.01 1.57 0.52 -1.26 -5.02 118.95 116.74 3hri s ARG 119 Ca 0.00 -0.39 -0.09 0.00 -0.52 0.00 0.00 55.73 54.73 3hri s ARG 119 Cb 0.00 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.53 3hri s ARG 119 CO 0.00 0.68 0.18 0.14 0.02 0.00 0.00 175.30 176.32 3hri s VAL 120 N -1.16 0.09 0.10 3.52 -7.23 -0.98 -2.14 120.40 112.60 3hri s VAL 120 Ca 0.22 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 3hri s VAL 120 Cb -0.12 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 3hri s VAL 120 CO 0.12 -0.40 -0.09 0.00 -0.31 0.00 0.00 175.10 174.42 3hri s ALA 121 N -1.78 1.10 -0.28 1.32 0.00 0.33 -1.76 121.76 120.69 3hri s ALA 121 Ca -0.11 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 3hri s ALA 121 Cb -0.05 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hri s ALA 121 CO 0.00 -0.10 0.88 -0.51 0.00 0.00 0.00 175.76 176.03 3hri s LEU 122 N -2.69 4.06 0.20 0.00 1.43 -0.70 -1.66 118.68 119.30 3hri s LEU 122 Ca 0.08 0.92 -0.33 0.00 -1.03 0.00 0.00 54.13 53.78 3hri s LEU 122 Cb 0.00 -3.25 -0.13 0.00 0.03 0.00 0.00 46.19 42.84 3hri s LEU 122 CO -0.01 -0.64 1.56 -2.11 0.23 0.00 0.00 176.35 175.38 3hri n ARG 123 N 6.29 2.27 0.10 1.70 1.85 -0.94 -4.36 116.66 123.56 3hri n ARG 123 Ca 0.07 0.81 0.04 0.00 -1.00 0.00 0.00 57.85 57.77 3hri n ARG 123 Cb 0.47 -2.57 -0.00 0.00 -1.05 0.00 0.00 32.46 29.31 3hri n ARG 123 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3hri h PRO 124 N 5.58 0.00 -3.80 2.89 0.13 -1.88 0.76 132.00 135.68 3hri h PRO 124 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 3hri h PRO 124 Cb 1.25 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 3hri h PRO 124 CO 0.86 0.32 -0.53 -1.83 -0.23 0.00 0.00 178.00 176.59 3hri s GLU 125 N -3.02 0.57 -0.04 0.86 -1.05 -1.26 -4.46 118.70 110.30 3hri s GLU 125 Ca 0.01 -0.73 0.07 0.00 -0.15 0.00 0.00 54.97 54.18 3hri s GLU 125 Cb 0.08 0.22 -0.24 0.00 -0.44 0.00 0.00 34.13 33.75 3hri s GLU 125 CO 0.77 -0.14 0.68 1.98 0.95 0.00 0.00 175.26 179.50 3hri h MET 126 N 3.74 0.07 -0.94 -4.83 1.85 -1.95 -3.40 114.93 109.47 3hri h MET 126 Ca -0.32 -0.12 0.17 0.00 -0.61 0.00 0.00 59.70 58.82 3hri h MET 126 Cb 1.19 0.04 -0.10 0.00 0.43 0.00 0.00 31.60 33.16 3hri h MET 126 CO 0.49 0.72 0.54 1.15 -0.40 0.00 0.00 176.91 179.41 3hri h THR 127 N 0.02 0.72 -0.77 -0.77 2.02 -2.00 -1.18 112.91 110.95 3hri h THR 127 Ca -0.28 -0.25 0.16 0.00 0.77 0.00 0.00 66.41 66.81 3hri h THR 127 Cb 2.00 -0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 3hri h THR 127 CO 0.09 0.13 0.52 -0.65 0.37 0.00 0.00 175.52 175.98 3hri h PRO 128 N 0.72 0.35 0.02 6.66 0.11 -1.96 -1.21 132.00 136.69 3hri h PRO 128 Ca 0.53 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.41 3hri h PRO 128 Cb 0.79 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3hri h PRO 128 CO -0.37 0.23 -0.95 0.77 -0.21 0.00 0.00 178.00 177.47 3hri h SER 129 N 0.36 0.22 -0.39 -2.05 0.02 -1.50 -2.60 113.55 107.61 3hri h SER 129 Ca 0.38 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 3hri h SER 129 Cb 0.95 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 3hri h SER 129 CO -0.11 1.05 0.13 0.25 -1.14 0.00 0.00 176.83 177.00 3hri h LEU 130 N 0.08 0.13 0.01 5.07 5.85 -1.13 -0.06 115.31 125.25 3hri h LEU 130 Ca -0.05 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hri h LEU 130 Cb 1.62 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.63 3hri h LEU 130 CO 0.14 0.11 -0.49 0.00 -0.34 0.00 0.00 178.44 177.86 3hri h ALA 131 N 1.26 -0.92 -0.83 1.25 0.00 -1.31 0.70 119.26 119.41 3hri h ALA 131 Ca 0.18 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.19 3hri h ALA 131 Cb 0.17 0.91 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 3hri h ALA 131 CO -0.19 -1.06 0.33 -0.09 0.00 0.00 0.00 179.25 178.24 3hri h ARG 132 N -0.62 0.40 -0.11 0.00 2.43 -1.06 0.51 114.38 115.92 3hri h ARG 132 Ca 0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3hri h ARG 132 Cb 0.66 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hri h ARG 132 CO -0.32 0.26 -0.08 1.96 -1.51 0.00 0.00 179.97 180.29 3hri h GLN 133 N 0.41 0.25 -0.73 0.20 4.20 -0.67 -1.43 115.11 117.34 3hri h GLN 133 Ca 0.49 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 59.11 3hri h GLN 133 Cb 0.85 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 3hri h GLN 133 CO -0.48 0.62 0.48 -0.07 -0.67 0.00 0.00 178.83 178.71 3hri h LEU 134 N -0.13 0.76 -0.14 1.46 3.38 -0.29 -2.09 115.31 118.26 3hri h LEU 134 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3hri h LEU 134 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hri h LEU 134 CO 0.02 0.52 -0.32 -0.07 0.09 0.00 0.00 178.44 178.68 3hri h LEU 135 N 0.88 0.52 -0.72 1.67 3.38 -0.88 -2.88 115.31 117.28 3hri h LEU 135 Ca 0.29 -0.57 0.16 0.00 0.09 0.00 0.00 57.88 57.85 3hri h LEU 135 Cb 0.06 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.55 3hri h LEU 135 CO -0.08 1.00 0.11 0.00 0.09 0.00 0.00 178.44 179.56 3hri h ALA 136 N 0.54 0.86 0.00 1.53 0.00 -0.78 0.28 119.26 121.70 3hri h ALA 136 Ca -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hri h ALA 136 Cb 0.92 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hri h ALA 136 CO 0.07 -0.37 -0.05 0.87 0.00 0.00 0.00 179.25 179.77 3hri h LYS 137 N 0.21 0.00 0.00 0.00 1.57 -1.35 -3.48 116.57 113.52 3hri h LYS 137 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3hri h LYS 137 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3hri h LYS 137 CO -0.54 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 178.80 3hri n GLY 138 N -0.12 3.06 0.00 3.86 0.00 0.09 -2.02 105.19 110.06 3hri n GLY 138 Ca -0.00 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 14.00 0.73 0.00 1.61 -4.01 -1.26 -3.07 116.66 124.66 3hri n ARG 139 Ca 0.00 0.01 0.13 0.00 -1.04 0.00 0.00 57.85 56.95 3hri n ARG 139 Cb 0.00 -1.50 0.40 0.00 -3.04 0.00 0.00 32.46 28.32 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 -1.08 0.38 -4.68 2.89 3.41 -0.86 -4.82 113.62 108.87 3hri n SER 140 Ca 0.18 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3hri n SER 140 Cb 0.13 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.91 4.26 -0.30 1.04 1.98 -1.17 -4.96 118.68 116.61 3hri s LEU 141 Ca 0.15 1.89 -0.29 0.00 -2.89 0.00 0.00 54.13 52.99 3hri s LEU 141 Cb 0.18 -3.55 0.02 0.00 0.66 0.00 0.00 46.19 43.50 3hri s LEU 141 CO 0.62 -0.72 1.07 -1.48 -1.89 0.00 0.00 176.35 173.95 3hri s LEU 142 N 2.91 3.96 -0.07 -0.68 2.34 -1.26 -5.03 118.68 120.86 3hri s LEU 142 Ca 0.59 1.11 -0.05 0.00 0.06 0.00 0.00 54.13 55.85 3hri s LEU 142 Cb -0.26 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 41.79 3hri s LEU 142 CO 0.21 -0.84 0.16 -0.76 -1.06 0.00 0.00 176.35 174.06 3hri s LEU 143 N 3.57 4.35 0.42 1.48 1.43 -1.26 -3.71 118.68 124.96 3hri s LEU 143 Ca 0.45 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 3hri s LEU 143 Cb -0.13 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 3hri s LEU 143 CO 0.14 0.34 1.01 -2.16 0.23 0.00 0.00 176.35 175.90 3hri s PRO 144 N -1.46 4.14 -0.09 1.29 0.04 -1.26 -5.08 135.00 132.58 3hri s PRO 144 Ca 0.21 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.62 3hri s PRO 144 Cb -0.12 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 3hri s PRO 144 CO 0.11 -0.14 -0.17 0.00 0.04 0.00 0.00 177.00 176.84 3hri s ALA 145 N -1.88 2.49 -0.42 8.56 0.00 0.22 -4.96 121.76 125.77 3hri s ALA 145 Ca 0.61 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3hri s ALA 145 Cb -0.16 -0.98 0.12 0.00 0.00 0.00 0.00 23.12 22.09 3hri s ALA 145 CO 0.21 0.39 0.17 0.15 0.00 0.00 0.00 175.76 176.68 3hri s LYS 146 N -0.10 1.52 0.04 0.00 1.02 -1.26 -0.02 119.74 120.94 3hri s LYS 146 Ca -0.03 -2.07 0.03 0.00 0.02 0.00 0.00 55.97 53.91 3hri s LYS 146 Cb -0.14 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3hri s LYS 146 CO 0.04 -1.05 0.01 -1.58 -0.92 0.00 0.00 175.35 171.85 3hri s TRP 147 N 0.45 3.07 -0.01 3.18 0.52 -0.12 0.22 118.94 126.24 3hri s TRP 147 Ca 0.14 0.05 -0.13 0.00 0.02 0.00 0.00 56.10 56.18 3hri s TRP 147 Cb -0.22 -1.62 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 3hri s TRP 147 CO -0.06 0.48 0.28 1.52 0.02 0.00 0.00 176.95 179.19 3hri s TYR 148 N -1.20 -0.14 0.12 -1.98 1.13 -0.08 -1.18 117.35 114.02 3hri s TYR 148 Ca 0.23 0.19 -0.11 0.00 -1.41 0.00 0.00 57.07 55.97 3hri s TYR 148 Cb -0.12 0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.82 3hri s TYR 148 CO 0.15 -0.37 0.28 -1.54 -2.51 0.00 0.00 175.55 171.55 3hri s SER 149 N -1.34 -0.00 -0.44 -0.18 1.04 -0.91 -0.68 113.70 111.19 3hri s SER 149 Ca -0.14 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 55.76 3hri s SER 149 Cb -0.06 0.41 0.41 0.00 0.10 0.00 0.00 66.02 66.88 3hri s SER 149 CO 0.04 -0.81 1.03 -0.38 0.98 0.00 0.00 173.24 174.09 3hri n ILE 150 N -0.15 2.08 -2.25 -1.02 5.41 -1.26 0.44 119.36 122.61 3hri n ILE 150 Ca -0.13 -4.67 -0.35 0.00 1.00 0.00 0.00 62.75 58.60 3hri n ILE 150 Cb 0.63 -0.86 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 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 -3.38 3.38 0.27 0.38 0.04 -1.20 -4.47 135.00 130.01 3hri s PRO 151 Ca 0.44 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 3hri s PRO 151 Cb 0.39 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.82 3hri s PRO 151 CO -0.13 -0.81 0.85 -1.14 0.04 0.00 0.00 177.00 175.81 3hri s GLN 152 N -3.37 4.49 0.08 4.56 0.74 -1.26 -2.41 119.66 122.48 3hri s GLN 152 Ca 0.71 1.16 0.05 0.00 0.05 0.00 0.00 55.36 57.34 3hri s GLN 152 Cb -0.22 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 3hri s GLN 152 CO 0.27 0.37 -0.14 0.00 -0.55 0.00 0.00 175.29 175.24 3hri s TRP 154 N -1.37 1.62 -0.04 0.00 0.52 0.26 -2.19 118.94 117.74 3hri s TRP 154 Ca -0.01 -0.74 0.01 0.00 0.02 0.00 0.00 56.10 55.39 3hri s TRP 154 Cb -0.09 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 31.01 3hri s TRP 154 CO 0.02 -0.43 -0.06 0.50 0.02 0.00 0.00 176.95 177.00 3hri s ARG 155 N 1.17 0.95 -0.43 4.98 3.52 0.11 -2.74 118.95 126.51 3hri s ARG 155 Ca -0.04 -0.16 -0.27 0.00 -0.13 0.00 0.00 55.73 55.13 3hri s ARG 155 Cb -0.14 -0.90 0.02 0.00 -1.56 0.00 0.00 34.95 32.37 3hri s ARG 155 CO -0.03 -0.05 0.99 -0.47 -0.81 0.00 0.00 175.30 174.94 3hri s TYR 156 N 0.81 2.96 0.32 5.12 5.04 -0.29 -4.09 117.35 127.21 3hri s TYR 156 Ca -0.12 0.65 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 3hri s TYR 156 Cb -0.14 -3.98 0.01 0.00 0.35 0.00 0.00 41.96 38.20 3hri s TYR 156 CO 0.01 -1.04 0.53 -1.21 -1.34 0.00 0.00 175.55 172.50 3hri s GLU 157 N 3.85 1.84 0.76 4.97 0.41 -1.26 -4.43 118.70 124.83 3hri s GLU 157 Ca 0.41 -1.53 -0.11 0.00 -0.41 0.00 0.00 54.97 53.33 3hri s GLU 157 Cb -0.10 0.48 0.04 0.00 -1.78 0.00 0.00 34.13 32.78 3hri s GLU 157 CO 0.25 -0.78 1.08 0.00 -0.49 0.00 0.00 175.26 175.31 3hri s ALA 158 N -3.26 2.37 -0.10 5.21 0.00 -1.26 -4.77 121.76 119.95 3hri s ALA 158 Ca 0.25 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.20 3hri s ALA 158 Cb -0.01 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3hri s ALA 158 CO 0.15 -1.58 -0.21 -0.89 0.00 0.00 0.00 175.76 173.22 3hri n ILE 159 N -3.38 1.24 1.51 0.00 -0.00 -1.26 -4.37 119.36 113.10 3hri n ILE 159 Ca 0.08 0.09 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 3hri n ILE 159 Cb 0.54 -1.94 0.00 0.00 -0.00 0.00 0.00 39.64 38.24 3hri n ILE 159 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3hri n THR 160 N -3.97 0.00 -3.41 1.39 -2.24 -1.26 -3.71 114.28 101.07 3hri n THR 160 Ca -0.17 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 3hri n THR 160 Cb 0.46 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.32 1.88 0.00 -0.78 3.00 -1.26 -5.06 116.66 114.13 3hri n ARG 161 Ca 0.00 -4.22 0.00 0.00 -0.01 0.00 0.00 57.85 53.62 3hri n ARG 161 Cb 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 30.57 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 1.20 1.34 3.71 -0.13 0.00 -1.24 -4.89 105.19 105.18 3hri n GLY 162 Ca 0.27 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 0.84 -0.29 1.61 0.52 -1.26 -4.99 118.95 115.38 3hri s ARG 163 Ca 0.00 0.57 0.18 0.00 -0.52 0.00 0.00 55.73 55.95 3hri s ARG 163 Cb 0.00 -1.78 0.48 0.00 0.52 0.00 0.00 34.95 34.17 3hri s ARG 163 CO 0.00 -2.46 1.09 2.89 0.02 0.00 0.00 175.30 176.84 3hri n ARG 164 N -4.00 2.07 0.00 3.54 1.85 -1.26 -4.17 116.66 114.70 3hri n ARG 164 Ca 0.06 -3.65 0.00 0.00 -1.00 0.00 0.00 57.85 53.26 3hri n ARG 164 Cb 0.57 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 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 -0.49 0.00 -4.70 2.89 1.74 -1.26 -4.48 116.66 110.36 3hri n ARG 165 Ca 0.17 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.00 3hri n ARG 165 Cb 0.82 -0.26 -0.16 0.00 -1.02 0.00 0.00 32.46 31.84 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 1.63 -0.13 5.56 -6.30 -1.22 -0.71 118.70 117.53 3hri s GLU 166 Ca 0.00 -0.51 -0.16 0.00 -2.50 0.00 0.00 54.97 51.80 3hri s GLU 166 Cb 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 34.13 32.77 3hri s GLU 166 CO 0.00 0.16 0.42 -3.38 0.02 0.00 0.00 175.26 172.49 3hri s HIS 167 N 0.22 -0.44 0.34 5.30 -3.43 -0.93 -4.94 115.29 111.42 3hri s HIS 167 Ca -0.07 1.01 -0.08 0.00 -0.80 0.00 0.00 55.06 55.13 3hri s HIS 167 Cb -0.12 0.16 -0.06 0.00 -1.43 0.00 0.00 32.58 31.14 3hri s HIS 167 CO 0.02 -0.27 0.65 0.71 -2.00 0.00 0.00 174.74 173.85 3hri s TYR 168 N -0.09 3.47 -0.22 0.38 2.02 -1.26 -1.13 117.35 120.52 3hri s TYR 168 Ca -0.03 0.83 -0.08 0.00 -0.37 0.00 0.00 57.07 57.43 3hri s TYR 168 Cb -0.03 -2.26 0.10 0.00 -0.40 0.00 0.00 41.96 39.36 3hri s TYR 168 CO 0.02 0.05 0.47 -1.14 -1.57 0.00 0.00 175.55 173.38 3hri s GLN 169 N -3.66 0.38 -0.44 -0.62 0.74 -1.01 -0.98 119.66 114.06 3hri s GLN 169 Ca 0.47 1.13 -0.28 0.00 0.05 0.00 0.00 55.36 56.73 3hri s GLN 169 Cb -0.11 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.46 3hri s GLN 169 CO 0.30 -0.24 1.52 -0.46 -0.55 0.00 0.00 175.29 175.87 3hri s TRP 170 N 2.66 2.20 0.25 1.67 -0.00 -0.02 -3.22 118.94 122.48 3hri s TRP 170 Ca -0.03 0.63 -0.08 0.00 -0.00 0.00 0.00 56.10 56.62 3hri s TRP 170 Cb -0.12 -4.28 -0.07 0.00 -0.00 0.00 0.00 33.47 29.01 3hri s TRP 170 CO -0.14 -2.20 0.55 -0.80 -0.00 0.00 0.00 176.95 174.36 3hri s ASN 171 N 4.77 6.57 -0.28 5.86 -0.87 0.17 -1.15 114.94 130.00 3hri s ASN 171 Ca 0.63 0.85 -0.06 0.00 -1.57 0.00 0.00 52.86 52.72 3hri s ASN 171 Cb -0.15 -2.20 0.15 0.00 -0.02 0.00 0.00 41.25 39.03 3hri s ASN 171 CO 0.30 -0.11 0.58 -0.32 -2.57 0.00 0.00 177.10 174.98 3hri s MET 172 N -3.04 0.52 -0.04 -0.60 1.75 -1.00 -2.13 119.30 114.76 3hri s MET 172 Ca 0.46 1.16 -0.01 0.00 -1.25 0.00 0.00 55.69 56.05 3hri s MET 172 Cb -0.11 0.56 0.03 0.00 2.84 0.00 0.00 34.83 38.16 3hri s MET 172 CO 0.24 -0.39 0.08 -0.51 -0.65 0.00 0.00 175.02 173.79 3hri s ASP 173 N 2.81 -0.02 -0.17 1.11 1.11 -0.33 -0.79 116.67 120.39 3hri s ASP 173 Ca 0.06 0.16 -0.05 0.00 0.18 0.00 0.00 52.55 52.90 3hri s ASP 173 Cb -0.13 0.06 -0.03 0.00 1.07 0.00 0.00 42.92 43.88 3hri s ASP 173 CO -0.19 -0.13 -0.00 -0.63 1.18 0.00 0.00 175.17 175.40 3hri s ILE 174 N 1.07 4.17 -0.01 0.77 1.01 0.18 -0.94 121.20 127.44 3hri s ILE 174 Ca -0.09 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3hri s ILE 174 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 3hri s ILE 174 CO -0.04 0.47 -0.15 0.27 0.00 0.00 0.00 174.94 175.49 3hri s ILE 175 N 0.46 1.16 0.00 2.92 -4.36 0.97 -2.14 121.20 120.22 3hri s ILE 175 Ca -0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 3hri s ILE 175 Cb -0.14 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.60 3hri s ILE 175 CO 0.02 0.33 0.00 0.61 0.24 0.00 0.00 174.94 176.14 3hri n GLY 176 N 2.78 2.72 3.48 6.27 0.00 -0.61 -0.61 105.19 119.22 3hri n GLY 176 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.42 4.83 0.10 1.61 1.01 -1.26 -4.81 120.40 119.45 3hri s VAL 177 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 3hri s VAL 177 Cb 0.00 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 3hri s VAL 177 CO 0.00 -0.74 1.63 0.11 0.00 0.00 0.00 175.10 176.10 3hri h LYS 178 N 8.97 0.36 -7.43 2.72 1.79 -1.98 -3.45 116.57 117.55 3hri h LYS 178 Ca -0.27 -0.07 -0.49 0.00 -2.18 0.00 0.00 60.65 57.65 3hri h LYS 178 Cb 1.09 -0.06 0.10 0.00 -1.58 0.00 0.00 32.23 31.79 3hri h LYS 178 CO 0.94 0.41 0.37 -1.54 -1.08 0.00 0.00 179.45 178.55 3hri s SER 179 N -5.66 4.90 0.00 0.86 1.04 -1.26 -4.92 113.70 108.66 3hri s SER 179 Ca -0.14 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.61 3hri s SER 179 Cb 0.08 -2.04 0.26 0.00 0.10 0.00 0.00 66.02 64.42 3hri s SER 179 CO 0.72 -1.70 0.89 0.55 0.98 0.00 0.00 173.24 174.68 3hri n VAL 180 N -3.26 0.00 0.21 5.02 3.14 -1.26 -3.24 118.33 118.94 3hri n VAL 180 Ca 0.07 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.51 3hri n VAL 180 Cb 0.56 -0.25 0.45 0.00 -1.06 0.00 0.00 33.84 33.54 3hri n VAL 180 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3hri h SER 181 N 0.00 0.00 -0.19 6.55 4.64 -1.94 -2.32 113.55 120.30 3hri h SER 181 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3hri h SER 181 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hri h SER 181 CO 0.00 0.30 -0.66 0.77 -0.87 0.00 0.00 176.83 176.37 3hri h SER 182 N 0.00 0.93 -0.83 4.97 4.64 -1.87 -0.42 113.55 120.96 3hri h SER 182 Ca -0.00 -0.55 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3hri h SER 182 Cb 0.63 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 3hri h SER 182 CO 0.04 1.35 0.53 -0.33 -0.87 0.00 0.00 176.83 177.54 3hri h GLU 183 N 0.59 0.97 -0.66 4.77 3.07 -1.77 -1.85 114.58 119.70 3hri h GLU 183 Ca -0.02 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3hri h GLU 183 Cb 1.27 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 3hri h GLU 183 CO 0.14 0.64 0.42 0.28 -1.40 0.00 0.00 179.01 179.10 3hri h VAL 184 N 1.00 1.18 0.14 3.13 2.07 -0.90 -2.39 116.25 120.49 3hri h VAL 184 Ca 0.34 -0.35 -0.28 0.00 0.82 0.00 0.00 66.70 67.23 3hri h VAL 184 Cb 0.07 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3hri h VAL 184 CO -0.14 0.18 -1.25 -0.08 0.02 0.00 0.00 177.57 176.30 3hri h GLU 185 N 0.90 0.34 -0.44 1.57 4.81 -0.88 -2.53 114.58 118.35 3hri h GLU 185 Ca 0.24 -0.55 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3hri h GLU 185 Cb -0.08 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3hri h GLU 185 CO -0.05 1.25 0.27 -0.07 -0.73 0.00 0.00 179.01 179.68 3hri h LEU 186 N 0.11 0.44 -0.74 1.64 3.38 -1.27 0.12 115.31 118.99 3hri h LEU 186 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hri h LEU 186 Cb 1.96 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 3hri h LEU 186 CO 0.21 0.32 0.39 0.58 0.09 0.00 0.00 178.44 180.03 3hri h VAL 187 N 0.54 1.23 -0.31 1.22 2.07 -1.50 -1.53 116.25 117.98 3hri h VAL 187 Ca 0.17 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3hri h VAL 187 Cb -0.00 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hri h VAL 187 CO -0.07 0.26 0.18 0.00 0.02 0.00 0.00 177.57 177.96 3hri h ALA 189 N 1.14 0.59 -0.22 0.00 0.00 -0.53 0.67 119.26 120.91 3hri h ALA 189 Ca 0.12 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3hri h ALA 189 Cb 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3hri h ALA 189 CO -0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 179.25 178.99 3hri h ALA 190 N 1.20 -0.04 -0.55 0.00 0.00 -1.02 0.13 119.26 118.98 3hri h ALA 190 Ca 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3hri h ALA 190 Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hri h ALA 190 CO -0.08 -0.61 0.26 0.00 0.00 0.00 0.00 179.25 178.83 3hri h THR 192 N 0.74 0.83 -0.39 0.00 2.02 0.13 0.64 112.91 116.88 3hri h THR 192 Ca 0.19 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3hri h THR 192 Cb 0.12 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3hri h THR 192 CO -0.02 0.07 0.14 0.00 0.37 0.00 0.00 175.52 176.08 3hri h ALA 193 N 1.35 0.50 -0.33 6.16 0.00 -0.70 -0.85 119.26 125.39 3hri h ALA 193 Ca 0.26 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hri h ALA 193 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hri h ALA 193 CO -0.25 0.12 -0.07 0.52 0.00 0.00 0.00 179.25 179.57 3hri h MET 194 N 0.48 0.54 -0.04 0.00 2.86 -0.74 -1.35 114.93 116.69 3hri h MET 194 Ca 0.13 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 3hri h MET 194 Cb 0.21 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3hri h MET 194 CO -0.01 0.62 -0.61 0.37 1.06 0.00 0.00 176.91 178.34 3hri h GLN 195 N 0.51 0.14 0.00 1.72 4.15 0.56 -0.88 115.11 121.30 3hri h GLN 195 Ca 0.10 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 3hri h GLN 195 Cb 0.43 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3hri h GLN 195 CO 0.02 0.70 -0.61 0.77 -1.93 0.00 0.00 178.83 177.78 3hri h SER 196 N 0.10 0.00 0.58 -0.69 0.02 -0.72 -2.67 113.55 110.18 3hri h SER 196 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hri h SER 196 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3hri h SER 196 CO 0.09 0.61 0.00 0.18 -1.14 0.00 0.00 176.83 176.57 3hri n LEU 197 N -3.55 0.00 0.00 5.07 4.77 -0.55 -4.89 117.00 117.85 3hri n LEU 197 Ca -0.00 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3hri n LEU 197 Cb 0.67 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3hri n LEU 197 CO 0.41 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3hri n GLY 198 N 0.73 0.99 3.77 -0.72 0.00 -1.01 -4.89 105.19 104.07 3hri n GLY 198 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 4.37 0.49 0.99 1.43 -0.36 -4.97 118.68 120.63 3hri s LEU 199 Ca 0.00 2.03 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3hri s LEU 199 Cb 0.00 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.32 3hri s LEU 199 CO 0.00 -0.20 0.44 -0.94 0.23 0.00 0.00 176.35 175.88 3hri s SER 200 N -1.35 4.87 0.01 2.29 1.04 -1.26 -4.08 113.70 115.23 3hri s SER 200 Ca 0.50 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 56.04 3hri s SER 200 Cb -0.24 -0.05 0.32 0.00 0.10 0.00 0.00 66.02 66.14 3hri s SER 200 CO 0.31 -0.93 1.23 -1.54 0.98 0.00 0.00 173.24 173.29 3hri n SER 201 N -1.73 0.03 0.04 7.02 3.41 -1.26 -2.06 113.62 119.08 3hri n SER 201 Ca 0.03 0.51 -0.03 0.00 -0.26 0.00 0.00 58.87 59.13 3hri n SER 201 Cb 0.63 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 3hri n SER 201 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hri h LYS 202 N 0.00 0.00 0.00 4.33 6.56 -1.94 -3.40 116.57 122.11 3hri h LYS 202 Ca 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.52 3hri h LYS 202 Cb 0.11 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 3hri h LYS 202 CO 0.00 0.48 -0.43 -0.44 -2.06 0.00 0.00 179.45 177.00 3hri h ASP 203 N 0.00 0.00 -2.22 0.86 3.32 -1.80 -3.44 116.42 113.14 3hri h ASP 203 Ca -0.14 -0.52 -0.58 0.00 0.02 0.00 0.00 57.03 55.81 3hri h ASP 203 Cb 1.67 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 41.09 3hri h ASP 203 CO 0.07 1.01 -0.66 0.68 -1.72 0.00 0.00 179.24 178.61 3hri s VAL 204 N -2.13 2.00 0.13 -1.35 -7.23 -0.96 -0.87 120.40 109.98 3hri s VAL 204 Ca -0.17 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 57.83 3hri s VAL 204 Cb 0.01 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3hri s VAL 204 CO 0.46 -0.19 0.20 0.61 -0.31 0.00 0.00 175.10 175.88 3hri n GLY 205 N -0.76 2.48 2.95 2.32 0.00 -0.23 -4.42 105.19 107.55 3hri n GLY 205 Ca -0.05 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 3hri n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hri s VAL 206 N -2.60 0.36 -0.15 1.61 1.01 -0.54 -1.98 120.40 118.12 3hri s VAL 206 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3hri s VAL 206 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3hri s VAL 206 CO 0.07 0.06 0.13 -0.54 0.00 0.00 0.00 175.10 174.82 3hri s LYS 207 N -0.21 3.70 0.00 2.72 1.02 -0.23 -0.59 119.74 126.16 3hri s LYS 207 Ca 0.01 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 55.88 3hri s LYS 207 Cb -0.02 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3hri s LYS 207 CO -0.00 0.59 -0.16 0.42 -0.92 0.00 0.00 175.35 175.29 3hri s ILE 208 N -0.50 2.96 0.31 2.17 1.09 -0.00 -2.18 121.20 125.06 3hri s ILE 208 Ca 0.12 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.72 3hri s ILE 208 Cb -0.12 -2.22 -0.02 0.00 -1.06 0.00 0.00 42.46 39.05 3hri s ILE 208 CO 0.02 0.44 0.33 0.21 -0.10 0.00 0.00 174.94 175.83 3hri s ASN 209 N -1.17 1.13 -0.07 3.58 2.47 -1.00 -0.65 114.94 119.23 3hri s ASN 209 Ca 0.14 -1.58 -0.03 0.00 0.42 0.00 0.00 52.86 51.80 3hri s ASN 209 Cb -0.11 0.56 0.03 0.00 -1.45 0.00 0.00 41.25 40.29 3hri s ASN 209 CO 0.04 -1.11 0.16 -0.55 -3.72 0.00 0.00 177.10 171.92 3hri s SER 210 N -3.28 -0.13 0.00 -4.21 0.15 -1.26 -2.13 113.70 102.83 3hri s SER 210 Ca 0.37 0.32 0.24 0.00 0.70 0.00 0.00 55.95 57.58 3hri s SER 210 Cb 0.02 0.23 1.20 0.00 -1.71 0.00 0.00 66.02 65.76 3hri s SER 210 CO 0.22 -0.13 1.80 -2.11 1.20 0.00 0.00 173.24 174.22 3hri n ARG 211 N 3.96 0.32 0.17 5.44 1.85 -0.92 -2.87 116.66 124.61 3hri n ARG 211 Ca -0.24 0.06 0.05 0.00 -1.00 0.00 0.00 57.85 56.73 3hri n ARG 211 Cb 0.53 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.62 3hri n ARG 211 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3hri h LYS 212 N 0.00 0.00 0.57 2.89 1.57 -1.78 -0.87 116.57 118.96 3hri h LYS 212 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3hri h LYS 212 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hri h LYS 212 CO 0.00 0.40 -0.28 0.82 -0.57 0.00 0.00 179.45 179.82 3hri h ILE 213 N 0.00 0.39 -0.41 1.86 2.04 -1.91 -2.35 117.51 117.13 3hri h ILE 213 Ca -0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3hri h ILE 213 Cb 1.15 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3hri h ILE 213 CO 0.05 0.03 0.16 0.25 0.00 0.00 0.00 178.15 178.64 3hri h LEU 214 N -0.90 0.56 -0.73 1.44 7.12 -1.67 -1.79 115.31 119.34 3hri h LEU 214 Ca -0.08 -0.17 -0.11 0.00 0.13 0.00 0.00 57.88 57.65 3hri h LEU 214 Cb 0.63 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 3hri h LEU 214 CO 0.13 0.58 -0.26 0.06 -0.13 0.00 0.00 178.44 178.82 3hri h GLN 215 N 0.51 0.69 0.06 1.25 3.07 -1.24 -3.02 115.11 116.43 3hri h GLN 215 Ca 0.14 -0.29 -0.24 0.00 0.09 0.00 0.00 58.65 58.35 3hri h GLN 215 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 3hri h GLN 215 CO -0.01 0.88 -1.09 1.79 0.09 0.00 0.00 178.83 180.49 3hri h THR 216 N 0.60 1.60 -1.01 1.86 1.35 -1.30 -2.46 112.91 113.54 3hri h THR 216 Ca 0.08 -3.17 0.24 0.00 -0.55 0.00 0.00 66.41 63.01 3hri h THR 216 Cb 0.75 2.85 -0.10 0.00 -1.73 0.00 0.00 68.15 69.92 3hri h THR 216 CO 0.06 0.92 0.64 0.58 -0.25 0.00 0.00 175.52 177.46 3hri h VAL 217 N 0.05 0.58 -3.49 6.82 2.07 -1.34 -3.36 116.25 117.57 3hri h VAL 217 Ca -0.07 -0.17 -0.57 0.00 0.82 0.00 0.00 66.70 66.71 3hri h VAL 217 Cb 1.83 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3hri h VAL 217 CO 0.16 0.09 0.93 -0.69 0.02 0.00 0.00 177.57 178.08 3hri s VAL 218 N -5.60 4.24 -0.46 2.57 1.01 -0.93 -5.07 120.40 116.17 3hri s VAL 218 Ca -0.09 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3hri s VAL 218 Cb 0.25 -4.46 0.32 0.00 0.00 0.00 0.00 36.38 32.50 3hri s VAL 218 CO 0.80 -0.78 1.12 -0.62 0.00 0.00 0.00 175.10 175.61 3hri n GLU 219 N 7.56 1.02 0.00 2.72 1.02 -1.26 -4.93 120.64 126.78 3hri n GLU 219 Ca 0.13 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 3hri n GLU 219 Cb 0.48 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 0.33 1.15 -4.50 1.62 10.43 -1.26 -5.18 116.55 119.14 3hri n ASP 226 Ca 0.06 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 56.99 3hri n ASP 226 Cb 0.70 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.66 3hri n ASP 226 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 3hri s LYS 227 N -1.61 3.93 -0.02 -1.24 0.00 -1.26 -4.62 119.74 114.91 3hri s LYS 227 Ca 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 55.97 53.82 3hri s LYS 227 Cb 0.00 -5.20 -0.01 0.00 0.00 0.00 0.00 37.83 32.62 3hri s LYS 227 CO 0.00 -1.95 -0.03 0.34 0.00 0.00 0.00 175.35 173.71 3hri n PHE 228 N 6.89 0.00 0.11 1.78 7.35 -1.26 -4.74 117.46 127.59 3hri n PHE 228 Ca 0.38 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 57.26 3hri n PHE 228 Cb 0.46 -0.09 0.66 0.00 0.35 0.00 0.00 39.48 40.86 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 -0.07 2.07 -0.03 3.13 0.00 -1.95 -0.19 119.26 122.23 3hri h ALA 229 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hri h ALA 229 Cb 1.06 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hri h ALA 229 CO -0.03 -0.79 0.02 -1.35 0.00 0.00 0.00 179.25 177.10 3hri h PRO 230 N 0.00 0.00 0.00 0.00 0.11 -1.96 -2.99 132.00 127.16 3hri h PRO 230 Ca 0.19 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.11 3hri h PRO 230 Cb 1.36 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.45 3hri h PRO 230 CO -0.00 0.00 -0.89 0.28 -0.21 0.00 0.00 178.00 177.18 3hri h VAL 231 N 0.00 1.64 -0.19 3.15 2.07 -1.37 -3.31 116.25 118.23 3hri h VAL 231 Ca 0.01 -3.04 -0.15 0.00 0.82 0.00 0.00 66.70 64.34 3hri h VAL 231 Cb 0.06 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3hri h VAL 231 CO -0.00 0.87 -0.49 0.00 0.02 0.00 0.00 177.57 177.97 3hri h VAL 233 N 0.41 0.85 0.00 0.00 2.07 -1.64 -3.49 116.25 114.46 3hri h VAL 233 Ca 0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3hri h VAL 233 Cb 1.01 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3hri h VAL 233 CO 0.09 0.13 0.00 -0.38 0.02 0.00 0.00 177.57 177.43 3hri n ILE 234 N -4.56 0.00 -0.66 4.57 5.41 -1.23 -4.95 119.36 117.94 3hri n ILE 234 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.92 3hri n ILE 234 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 3hri n ILE 234 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hri n PRO 242 N 0.00 0.00 -0.39 0.38 -0.04 -1.26 -5.20 135.00 128.49 3hri n PRO 242 Ca 0.00 0.22 0.32 0.00 -0.04 0.00 0.00 63.50 64.00 3hri n PRO 242 Cb 0.00 -0.66 0.59 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.00 0.15 -0.11 0.54 3.08 -2.05 0.14 114.38 116.12 3hri h ARG 243 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hri h ARG 243 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hri h ARG 243 CO 0.00 0.10 0.00 -0.85 -1.07 0.00 0.00 179.97 178.15 3hri n GLU 244 N -4.85 1.29 0.00 0.04 0.28 -1.26 -3.33 120.64 112.81 3hri n GLU 244 Ca 0.35 -1.48 0.10 0.00 -0.16 0.00 0.00 57.16 55.97 3hri n GLU 244 Cb 1.27 -1.26 0.02 0.00 1.43 0.00 0.00 31.44 32.90 3hri n GLU 244 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hri n GLU 245 N 0.69 1.58 -0.12 3.44 1.02 0.26 -2.50 120.64 125.02 3hri n GLU 245 Ca 0.09 -1.15 -0.24 0.00 -0.02 0.00 0.00 57.16 55.84 3hri n GLU 245 Cb 0.35 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 3hri n GLU 245 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hri n VAL 246 N 0.31 1.53 0.03 2.62 0.31 0.01 -3.02 118.33 120.12 3hri n VAL 246 Ca 0.09 -0.16 0.20 0.00 -0.01 0.00 0.00 64.34 64.46 3hri n VAL 246 Cb 0.43 -2.00 0.71 0.00 -0.91 0.00 0.00 33.84 32.06 3hri n VAL 246 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hri h VAL 247 N -1.00 0.69 0.32 2.52 2.07 -1.76 0.34 116.25 119.44 3hri h VAL 247 Ca -0.47 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3hri h VAL 247 Cb 1.39 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3hri h VAL 247 CO -0.28 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.15 3hri h ALA 248 N 1.73 -0.78 -0.92 1.67 0.00 -1.67 -2.31 119.26 116.98 3hri h ALA 248 Ca 0.22 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3hri h ALA 248 Cb 0.94 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 3hri h ALA 248 CO -0.00 -0.75 0.51 -0.56 0.00 0.00 0.00 179.25 178.45 3hri h GLN 249 N -0.59 0.64 -0.10 0.00 -0.00 -1.28 0.21 115.11 113.99 3hri h GLN 249 Ca -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 3hri h GLN 249 Cb 0.33 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 27.66 3hri h GLN 249 CO 0.07 0.42 0.04 -0.07 -0.00 0.00 0.00 178.83 179.29 3hri h LEU 250 N 0.66 0.15 -0.66 0.06 3.38 -0.48 -3.32 115.31 115.09 3hri h LEU 250 Ca 0.53 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.44 3hri h LEU 250 Cb 0.81 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 3hri h LEU 250 CO -0.39 0.29 -0.14 0.00 0.09 0.00 0.00 178.44 178.29 3hri h ALA 251 N 0.86 0.47 -1.12 1.53 0.00 0.02 -2.47 119.26 118.55 3hri h ALA 251 Ca 0.03 0.25 0.35 0.00 0.00 0.00 0.00 54.91 55.55 3hri h ALA 251 Cb 0.19 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 3hri h ALA 251 CO -0.00 -0.42 0.69 0.00 0.00 0.00 0.00 179.25 179.51 3hri h ALA 252 N 1.65 2.29 0.00 0.00 0.00 -1.61 -2.97 119.26 118.63 3hri h ALA 252 Ca 0.32 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3hri h ALA 252 Cb 0.50 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hri h ALA 252 CO -0.66 -0.88 0.00 -0.89 0.00 0.00 0.00 179.25 176.82 3hri n ILE 253 N -4.85 0.00 -0.13 0.00 5.41 -0.93 -4.76 119.36 114.10 3hri n ILE 253 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.08 3hri n ILE 253 Cb 1.13 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 3hri n ILE 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hri n GLY 254 N 0.07 0.95 3.62 7.39 0.00 -1.12 -5.05 105.19 111.05 3hri n GLY 254 Ca 0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 4.03 1.32 0.99 1.02 -1.24 -5.10 118.68 119.71 3hri s LEU 255 Ca 0.00 0.05 -0.18 0.00 0.02 0.00 0.00 54.13 54.02 3hri s LEU 255 Cb 0.00 -2.10 0.34 0.00 0.02 0.00 0.00 46.19 44.45 3hri s LEU 255 CO 0.00 0.02 0.96 -1.61 0.02 0.00 0.00 176.35 175.74 3hri s GLU 256 N 1.34 -2.14 0.07 1.70 8.01 -1.26 -4.67 118.70 121.76 3hri s GLU 256 Ca 0.07 0.53 -0.25 0.00 0.01 0.00 0.00 54.97 55.33 3hri s GLU 256 Cb -0.15 -1.44 -0.16 0.00 -4.31 0.00 0.00 34.13 28.08 3hri s GLU 256 CO 0.07 -4.45 1.66 1.03 0.01 0.00 0.00 175.26 173.58 3hri h SER 257 N -3.13 -0.18 -0.52 -0.19 0.87 -1.98 -2.84 113.55 105.57 3hri h SER 257 Ca -0.54 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.03 3hri h SER 257 Cb 1.34 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 3hri h SER 257 CO 0.40 -0.09 -0.31 0.59 -0.53 0.00 0.00 176.83 176.89 3hri n ASN 258 N -5.16 -0.55 0.12 6.23 4.13 -1.26 -0.13 115.26 118.63 3hri n ASN 258 Ca -0.09 0.99 -0.02 0.00 1.68 0.00 0.00 54.58 57.15 3hri n ASN 258 Cb 0.13 -0.15 0.09 0.00 -1.54 0.00 0.00 39.78 38.31 3hri n ASN 258 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 3hri h VAL 259 N 0.00 1.42 -0.49 2.41 3.04 -1.93 -2.66 116.25 118.05 3hri h VAL 259 Ca 0.08 -2.46 -0.02 0.00 -1.01 0.00 0.00 66.70 63.30 3hri h VAL 259 Cb 0.21 2.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.82 3hri h VAL 259 CO -0.49 0.68 0.22 0.58 -1.01 0.00 0.00 177.57 177.55 3hri h VAL 260 N 0.00 1.20 -0.47 1.51 2.07 -0.27 -1.81 116.25 118.48 3hri h VAL 260 Ca -0.01 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3hri h VAL 260 Cb 1.30 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3hri h VAL 260 CO 0.09 0.23 0.12 -0.78 0.02 0.00 0.00 177.57 177.24 3hri h ASP 261 N 0.65 0.72 0.00 0.57 3.58 -1.28 -2.68 116.42 117.97 3hri h ASP 261 Ca 0.17 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.38 3hri h ASP 261 Cb 0.15 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3hri h ASP 261 CO -0.02 0.77 0.04 0.00 -2.88 0.00 0.00 179.24 177.15 3hri n ALA 262 N -2.37 1.03 -0.06 -0.78 0.00 -0.72 -1.32 120.51 116.29 3hri n ALA 262 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3hri n ALA 262 Cb 0.22 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3hri n ALA 262 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hri n ILE 263 N -1.12 1.13 -0.14 0.00 5.41 -0.96 -4.61 119.36 119.07 3hri n ILE 263 Ca 0.00 0.23 0.07 0.00 1.00 0.00 0.00 62.75 64.05 3hri n ILE 263 Cb 0.04 -2.11 0.13 0.00 -0.71 0.00 0.00 39.64 37.00 3hri n ILE 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3hri n THR 264 N -3.95 -0.17 -0.03 1.39 -1.04 -0.43 -0.10 114.28 109.95 3hri n THR 264 Ca -0.10 0.88 -0.14 0.00 -2.04 0.00 0.00 64.05 62.65 3hri n THR 264 Cb 0.37 -1.30 -0.10 0.00 -1.82 0.00 0.00 70.33 67.49 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 0.18 0.22 8.00 4.64 -1.80 -3.28 113.55 121.52 3hri h SER 265 Ca 0.26 -0.64 0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3hri h SER 265 Cb 0.55 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 3hri h SER 265 CO -0.37 0.78 -0.46 0.71 -0.87 0.00 0.00 176.83 176.63 3hri h THR 266 N -0.42 0.10 -0.39 2.95 1.35 -0.76 0.80 112.91 116.54 3hri h THR 266 Ca -0.01 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.92 3hri h THR 266 Cb 0.77 0.10 -0.07 0.00 -1.73 0.00 0.00 68.15 67.23 3hri h THR 266 CO 0.03 0.00 -0.13 0.18 -0.25 0.00 0.00 175.52 175.34 3hri n LEU 267 N -5.49 -0.22 0.14 3.87 4.32 -1.12 -1.05 117.00 117.45 3hri n LEU 267 Ca -0.09 0.68 0.12 0.00 -0.02 0.00 0.00 56.01 56.70 3hri n LEU 267 Cb 0.40 -0.17 0.10 0.00 -1.62 0.00 0.00 43.42 42.13 3hri n LEU 267 CO 0.21 -0.62 0.39 0.77 -1.22 0.00 0.00 177.39 176.92 3hri h SER 268 N 0.00 0.00 -3.24 -1.43 4.64 -0.96 -0.43 113.55 112.13 3hri h SER 268 Ca 0.15 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.88 3hri h SER 268 Cb 0.25 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.48 3hri h SER 268 CO -0.39 0.01 0.15 0.18 -0.87 0.00 0.00 176.83 175.91 3hri n LEU 269 N -2.77 2.93 -0.19 5.97 4.77 -0.22 -4.92 117.00 122.58 3hri n LEU 269 Ca 0.02 0.96 0.02 0.00 -0.03 0.00 0.00 56.01 56.98 3hri n LEU 269 Cb 0.53 -1.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.29 3hri n LEU 269 CO 0.37 -1.60 0.44 0.29 -1.33 0.00 0.00 177.39 175.56 3hri n LYS 270 N -0.19 1.46 -3.90 3.23 4.01 -1.26 -3.53 118.16 117.98 3hri n LYS 270 Ca 0.10 -1.27 -0.11 0.00 -0.51 0.00 0.00 58.31 56.53 3hri n LYS 270 Cb 0.42 -1.08 -0.11 0.00 -0.51 0.00 0.00 35.03 33.75 3hri n LYS 270 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3hri s THR 271 N -0.70 0.07 0.37 -0.18 -4.23 -1.26 -4.67 115.64 105.04 3hri s THR 271 Ca 0.06 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.01 3hri s THR 271 Cb 0.04 -0.31 0.26 0.00 1.34 0.00 0.00 72.50 73.83 3hri s THR 271 CO 0.05 -0.33 2.02 0.40 -0.54 0.00 0.00 174.62 176.23 3hri h ILE 272 N 4.56 1.15 -0.84 2.99 2.04 -1.96 -0.58 117.51 124.87 3hri h ILE 272 Ca -0.30 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.29 3hri h ILE 272 Cb 1.20 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3hri h ILE 272 CO 0.42 0.14 0.55 0.44 0.00 0.00 0.00 178.15 179.70 3hri h ASP 273 N 0.77 0.96 -0.03 1.72 3.32 -1.97 0.53 116.42 121.72 3hri h ASP 273 Ca 0.21 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3hri h ASP 273 Cb -0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3hri h ASP 273 CO -0.04 0.69 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.02 3hri h GLU 274 N 1.13 0.24 0.20 3.56 4.81 -1.54 0.32 114.58 123.29 3hri h GLU 274 Ca 0.31 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 59.18 3hri h GLU 274 Cb -0.13 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.25 3hri h GLU 274 CO -0.07 0.32 -1.38 0.82 -0.73 0.00 0.00 179.01 177.98 3hri h ILE 275 N 0.23 1.31 -0.17 2.32 1.08 -0.29 -3.31 117.51 118.69 3hri h ILE 275 Ca 0.05 -2.68 -0.13 0.00 -0.39 0.00 0.00 64.86 61.71 3hri h ILE 275 Cb 0.28 2.92 -0.01 0.00 -3.07 0.00 0.00 36.82 36.94 3hri h ILE 275 CO 0.01 0.80 -0.44 0.00 -0.69 0.00 0.00 178.15 177.84 3hri h ALA 276 N 0.26 0.94 0.00 1.87 0.00 0.42 0.28 119.26 123.04 3hri h ALA 276 Ca -0.22 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hri h ALA 276 Cb 2.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3hri h ALA 276 CO 0.26 0.64 0.00 0.94 0.00 0.00 0.00 179.25 181.08 3hri n GLN 277 N -4.01 0.98 0.00 0.00 7.27 0.11 0.76 117.38 122.49 3hri n GLN 277 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3hri n GLN 277 Cb 0.52 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 32.16 3hri n GLN 277 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hri n ARG 278 N 1.37 0.00 0.00 3.69 5.12 -1.16 -4.92 116.66 120.76 3hri n ARG 278 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hri n ARG 278 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 3hri n ARG 278 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3hri n ILE 279 N -1.21 0.00 0.00 0.55 2.08 0.99 -5.04 119.36 116.73 3hri n ILE 279 Ca 0.00 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.87 3hri n ILE 279 Cb 0.00 1.01 0.00 0.00 -0.75 0.00 0.00 39.64 39.90 3hri n ILE 279 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hri n GLY 280 N 0.83 2.14 0.17 7.39 0.00 0.23 -4.34 105.19 111.61 3hri n GLY 280 Ca 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.30 3hri n GLY 280 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hri h GLU 281 N 0.00 0.00 0.00 1.61 -0.00 -1.93 -3.26 114.58 111.00 3hri h GLU 281 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.29 3hri h GLU 281 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 3hri h GLU 281 CO 0.00 0.44 -0.39 1.49 -0.00 0.00 0.00 179.01 180.55 3hri h GLU 282 N 0.00 0.00 -7.00 1.06 4.22 -1.93 -3.37 114.58 107.56 3hri h GLU 282 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.89 3hri h GLU 282 Cb 0.87 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.24 3hri h GLU 282 CO 0.06 0.33 0.66 -1.58 -2.18 0.00 0.00 179.01 176.29 3hri s HIS 283 N -3.05 2.46 0.14 0.92 2.46 -1.23 -4.68 115.29 112.31 3hri s HIS 283 Ca 0.05 1.32 -0.24 0.00 0.47 0.00 0.00 55.06 56.65 3hri s HIS 283 Cb 0.07 -3.84 -0.02 0.00 -0.13 0.00 0.00 32.58 28.65 3hri s HIS 283 CO 0.73 -2.79 1.28 0.39 -2.47 0.00 0.00 174.74 171.87 3hri n GLU 284 N -0.41 -0.34 -0.29 2.88 1.02 -1.26 -1.56 120.64 120.67 3hri n GLU 284 Ca 0.07 1.25 0.11 0.00 -0.02 0.00 0.00 57.16 58.56 3hri n GLU 284 Cb 0.43 -1.84 0.24 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.51 1.08 0.00 0.62 0.00 -1.91 0.96 119.26 120.53 3hri h ALA 285 Ca 0.15 0.26 -0.22 0.00 0.00 0.00 0.00 54.91 55.11 3hri h ALA 285 Cb 0.36 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3hri h ALA 285 CO -0.78 -0.48 -1.42 -0.39 0.00 0.00 0.00 179.25 176.18 3hri h VAL 286 N 0.12 0.78 -0.88 0.00 -1.51 -1.69 -2.18 116.25 110.90 3hri h VAL 286 Ca 0.52 -2.44 0.03 0.00 -1.23 0.00 0.00 66.70 63.58 3hri h VAL 286 Cb 1.01 2.30 -0.05 0.00 -2.13 0.00 0.00 31.29 32.41 3hri h VAL 286 CO -0.73 0.45 0.57 0.03 -1.23 0.00 0.00 177.57 176.66 3hri h ARG 287 N 0.00 1.07 0.72 5.19 3.08 0.05 0.58 114.38 125.07 3hri h ARG 287 Ca -0.19 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 3hri h ARG 287 Cb 1.76 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 31.58 3hri h ARG 287 CO 0.07 0.71 -0.35 0.93 -1.07 0.00 0.00 179.97 180.26 3hri h GLU 288 N 1.10 -0.93 -0.98 0.04 5.08 -0.85 -1.19 114.58 116.85 3hri h GLU 288 Ca 0.35 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.87 3hri h GLU 288 Cb 0.01 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 3hri h GLU 288 CO -0.12 -0.60 0.62 -0.07 -1.00 0.00 0.00 179.01 177.84 3hri h LEU 289 N -1.16 0.95 -0.71 1.33 3.38 -1.30 0.34 115.31 118.14 3hri h LEU 289 Ca -0.10 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3hri h LEU 289 Cb 0.77 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hri h LEU 289 CO 0.16 0.56 -0.38 0.03 0.09 0.00 0.00 178.44 178.90 3hri h ARG 290 N 1.05 0.00 -0.01 1.13 3.08 -0.87 -1.29 114.38 117.47 3hri h ARG 290 Ca 0.46 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.31 3hri h ARG 290 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hri h ARG 290 CO -0.22 0.38 -0.84 0.22 -1.07 0.00 0.00 179.97 178.44 3hri h ASP 291 N 0.00 0.28 0.35 7.04 3.58 0.31 -2.81 116.42 125.17 3hri h ASP 291 Ca -0.00 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 3hri h ASP 291 Cb 1.01 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.97 3hri h ASP 291 CO 0.05 1.00 -0.17 0.15 -2.88 0.00 0.00 179.24 177.39 3hri h PHE 292 N 0.13 -0.43 -0.36 0.28 3.04 -0.03 -2.03 116.94 117.54 3hri h PHE 292 Ca -0.04 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.98 3hri h PHE 292 Cb 1.45 0.14 -0.09 0.00 2.56 0.00 0.00 35.95 40.02 3hri h PHE 292 CO 0.03 -0.11 -0.29 -0.84 -2.02 0.00 0.00 178.31 175.08 3hri h ILE 293 N -0.97 0.28 -0.41 1.41 -0.00 -1.38 0.27 117.51 116.71 3hri h ILE 293 Ca -0.05 0.00 0.08 0.00 -0.00 0.00 0.00 64.86 64.89 3hri h ILE 293 Cb 0.52 0.28 -0.07 0.00 -0.00 0.00 0.00 36.82 37.55 3hri h ILE 293 CO 0.08 0.00 0.00 0.74 -0.00 0.00 0.00 178.15 178.97 3hri h THR 294 N -0.24 0.69 -0.03 0.16 2.02 -1.56 0.48 112.91 114.44 3hri h THR 294 Ca 0.17 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3hri h THR 294 Cb 0.51 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3hri h THR 294 CO -0.50 0.02 0.02 1.56 0.37 0.00 0.00 175.52 176.99 3hri h GLN 295 N 0.11 0.04 -0.97 6.66 4.20 -0.95 -0.90 115.11 123.30 3hri h GLN 295 Ca 0.20 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.97 3hri h GLN 295 Cb 0.29 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 3hri h GLN 295 CO -0.34 0.06 0.63 0.82 -0.67 0.00 0.00 178.83 179.34 3hri h ILE 296 N 0.00 1.10 -0.40 2.54 1.08 0.37 0.21 117.51 122.41 3hri h ILE 296 Ca 0.01 -0.39 -0.05 0.00 -0.39 0.00 0.00 64.86 64.04 3hri h ILE 296 Cb 0.04 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 33.62 3hri h ILE 296 CO -0.00 0.21 0.06 -0.33 -0.69 0.00 0.00 178.15 177.39 3hri h GLU 297 N 1.14 0.67 -0.68 2.37 5.08 0.06 -1.23 114.58 121.99 3hri h GLU 297 Ca 0.41 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3hri h GLU 297 Cb 0.15 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3hri h GLU 297 CO -0.16 0.72 0.40 0.00 -1.00 0.00 0.00 179.01 178.97 3hri h ALA 298 N 0.92 0.91 0.00 3.43 0.00 0.01 -0.34 119.26 124.18 3hri h ALA 298 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hri h ALA 298 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hri h ALA 298 CO 0.01 0.11 -0.41 -0.92 0.00 0.00 0.00 179.25 178.04 3hri h TYR 299 N 0.75 0.00 0.00 0.00 5.03 -0.50 -3.47 116.97 118.78 3hri h TYR 299 Ca 0.29 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.60 3hri h TYR 299 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.41 3hri h TYR 299 CO -0.06 0.41 0.00 0.41 -1.32 0.00 0.00 178.16 177.59 3hri n GLY 300 N -0.27 1.62 1.87 1.82 0.00 -0.14 -5.01 105.19 105.08 3hri n GLY 300 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.91 2.43 -0.12 1.61 3.72 -0.57 -4.82 117.46 118.80 3hri n PHE 301 Ca 0.00 -2.26 -0.08 0.00 -0.05 0.00 0.00 57.45 55.05 3hri n PHE 301 Cb 0.00 -0.62 -0.00 0.00 -0.94 0.00 0.00 39.48 37.91 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 1.86 0.54 2.00 1.37 0.00 -1.78 -2.69 103.07 104.37 3hri h GLY 302 Ca 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3hri h GLY 302 CO 0.85 0.21 0.00 1.22 0.00 0.00 0.00 176.54 178.82 3hri n ASP 303 N -4.80 0.29 0.07 0.19 9.92 -1.26 -3.02 116.55 117.94 3hri n ASP 303 Ca -0.00 0.60 -0.22 0.00 -0.53 0.00 0.00 54.79 54.63 3hri n ASP 303 Cb 0.04 -0.65 -0.15 0.00 -0.64 0.00 0.00 41.12 39.73 3hri n ASP 303 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 3hri h TRP 304 N 0.00 0.69 -3.34 1.24 4.06 -1.81 -3.47 115.95 113.32 3hri h TRP 304 Ca 0.00 -0.50 -0.56 0.00 2.06 0.00 0.00 58.89 59.89 3hri h TRP 304 Cb 0.17 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.27 3hri h TRP 304 CO 0.00 1.66 -0.03 0.14 -3.56 0.00 0.00 178.44 176.65 3hri s VAL 305 N -2.58 4.75 -0.06 1.49 -7.23 -1.17 -1.46 120.40 114.15 3hri s VAL 305 Ca -0.16 1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 61.06 3hri s VAL 305 Cb 0.06 -3.82 0.04 0.00 0.56 0.00 0.00 36.38 33.21 3hri s VAL 305 CO 0.85 0.35 0.12 -0.51 -0.31 0.00 0.00 175.10 175.60 3hri s ILE 306 N -1.34 -0.05 0.18 -0.62 2.07 0.25 -4.93 121.20 116.75 3hri s ILE 306 Ca 0.36 0.19 -0.30 0.00 -1.41 0.00 0.00 60.65 59.48 3hri s ILE 306 Cb -0.17 -0.20 -0.07 0.00 0.13 0.00 0.00 42.46 42.14 3hri s ILE 306 CO 0.20 0.08 1.05 0.12 -1.91 0.00 0.00 174.94 174.47 3hri s PHE 307 N 1.13 3.69 -0.28 3.50 5.36 -1.26 -0.82 117.98 129.30 3hri s PHE 307 Ca -0.09 1.69 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 3hri s PHE 307 Cb -0.12 -3.19 0.16 0.00 -0.34 0.00 0.00 43.02 39.53 3hri s PHE 307 CO -0.05 -0.27 0.42 0.34 -1.46 0.00 0.00 175.22 174.19 3hri s ASP 308 N -0.28 0.21 0.67 6.13 -1.08 0.18 -4.65 116.67 117.85 3hri s ASP 308 Ca 0.47 -0.19 0.43 0.00 -0.52 0.00 0.00 52.55 52.75 3hri s ASP 308 Cb -0.28 1.18 2.35 0.00 -1.46 0.00 0.00 42.92 44.71 3hri s ASP 308 CO 0.34 -0.34 2.32 0.00 0.52 0.00 0.00 175.17 178.01 3hri h ALA 309 N 8.15 1.04 -0.03 3.66 0.00 -1.69 -2.45 119.26 127.93 3hri h ALA 309 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hri h ALA 309 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hri h ALA 309 CO 0.26 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 3hri n SER 310 N -3.05 0.37 -4.55 0.00 3.41 -0.17 -4.59 113.62 105.04 3hri n SER 310 Ca -0.03 -1.45 -0.38 0.00 -0.26 0.00 0.00 58.87 56.75 3hri n SER 310 Cb 0.11 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3hri n SER 310 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hri s VAL 311 N -1.96 3.42 -0.05 -3.33 1.01 -0.92 -4.75 120.40 113.82 3hri s VAL 311 Ca 0.30 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.54 3hri s VAL 311 Cb 0.14 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.52 3hri s VAL 311 CO 0.24 -1.07 1.00 1.33 0.00 0.00 0.00 175.10 176.59 3hri n VAL 312 N 7.12 1.14 -1.76 2.92 0.24 -1.26 -4.87 118.33 121.85 3hri n VAL 312 Ca 0.19 -1.27 -0.38 0.00 -2.04 0.00 0.00 64.34 60.84 3hri n VAL 312 Cb 0.51 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 3hri n VAL 312 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hri s ARG 313 N -1.49 2.48 -1.15 7.34 6.06 -1.26 -2.08 118.95 128.86 3hri s ARG 313 Ca 0.11 1.22 -0.08 0.00 -2.50 0.00 0.00 55.73 54.48 3hri s ARG 313 Cb 0.10 -4.46 -0.03 0.00 0.06 0.00 0.00 34.95 30.61 3hri s ARG 313 CO 0.01 -2.86 0.85 0.41 -2.50 0.00 0.00 175.30 171.21 3hri n GLY 314 N 5.83 -0.82 0.04 8.12 0.00 -1.26 -4.90 105.19 112.20 3hri n GLY 314 Ca 0.29 0.39 0.13 0.00 0.00 0.00 0.00 46.02 46.83 3hri n GLY 314 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hri n LEU 315 N -3.83 0.38 0.25 0.99 0.00 -0.88 -3.08 117.00 110.82 3hri n LEU 315 Ca -0.16 0.41 0.13 0.00 0.00 0.00 0.00 56.01 56.40 3hri n LEU 315 Cb 0.63 -0.38 0.56 0.00 0.00 0.00 0.00 43.42 44.24 3hri n LEU 315 CO 0.64 -0.03 0.89 0.00 0.00 0.00 0.00 177.39 178.88 3hri h ALA 316 N 2.82 1.02 0.00 1.96 0.00 -1.86 -3.20 119.26 120.00 3hri h ALA 316 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hri h ALA 316 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hri h ALA 316 CO 0.00 0.15 -0.93 0.98 0.00 0.00 0.00 179.25 179.44 3hri n TYR 317 N -3.26 0.00 -2.87 0.00 9.36 -1.18 -4.95 117.16 114.26 3hri n TYR 317 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 3hri n TYR 317 Cb 0.37 -0.04 0.02 0.00 -0.63 0.00 0.00 39.34 39.06 3hri n TYR 317 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3hri s TYR 318 N -2.73 2.89 0.00 2.98 4.12 -1.21 -4.76 117.35 118.63 3hri s TYR 318 Ca 0.05 -0.16 0.00 0.00 0.02 0.00 0.00 57.07 56.99 3hri s TYR 318 Cb 0.13 -2.52 0.00 0.00 -1.52 0.00 0.00 41.96 38.05 3hri s TYR 318 CO 0.73 -0.59 0.00 2.41 0.02 0.00 0.00 175.55 178.12 3hri n THR 319 N -2.08 0.00 0.00 -0.71 -1.04 0.49 -4.96 114.28 105.97 3hri n THR 319 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3hri n THR 319 Cb 0.59 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 2.37 0.75 3.76 3.41 0.00 -1.05 -4.45 105.19 109.98 3hri n GLY 320 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.23 3.58 0.30 -0.61 1.01 -1.26 -2.18 121.20 125.27 3hri s ILE 321 Ca 0.00 1.54 0.09 0.00 0.00 0.00 0.00 60.65 62.27 3hri s ILE 321 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3hri s ILE 321 CO 0.00 0.33 0.10 0.68 0.00 0.00 0.00 174.94 176.05 3hri s VAL 322 N -1.23 3.37 0.11 2.92 -7.23 -0.91 -1.42 120.40 116.01 3hri s VAL 322 Ca 0.46 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3hri s VAL 322 Cb -0.30 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.66 3hri s VAL 322 CO 0.38 -0.27 0.30 0.72 -0.31 0.00 0.00 175.10 175.92 3hri s PHE 323 N -2.35 0.02 -0.18 2.82 -0.12 0.07 -2.37 117.98 115.88 3hri s PHE 323 Ca 0.35 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.73 3hri s PHE 323 Cb -0.05 0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.49 3hri s PHE 323 CO 0.22 -0.64 0.44 -2.00 -0.05 0.00 0.00 175.22 173.19 3hri s GLU 324 N -3.85 0.43 0.46 1.99 2.12 -0.92 -2.03 118.70 116.90 3hri s GLU 324 Ca 0.05 0.80 -0.20 0.00 0.36 0.00 0.00 54.97 55.99 3hri s GLU 324 Cb 0.03 0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.35 3hri s GLU 324 CO -0.10 -0.15 0.97 0.20 -0.54 0.00 0.00 175.26 175.64 3hri s GLY 325 N 1.28 2.30 -0.04 -1.50 0.00 0.14 -1.06 107.32 108.44 3hri s GLY 325 Ca -0.08 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 3hri s GLY 325 CO -0.12 0.64 0.79 -0.11 0.00 0.00 0.00 173.10 174.30 3hri s PHE 326 N -2.29 -0.50 0.15 1.90 -0.71 -0.84 -1.84 117.98 113.84 3hri s PHE 326 Ca 0.62 0.70 -0.26 0.00 -1.04 0.00 0.00 56.93 56.95 3hri s PHE 326 Cb -0.10 0.47 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 3hri s PHE 326 CO 0.19 -0.56 0.81 0.16 -1.34 0.00 0.00 175.22 174.48 3hri s ASP 327 N -1.63 7.41 0.31 1.98 1.47 -1.26 -1.06 116.67 123.88 3hri s ASP 327 Ca -0.04 1.67 0.15 0.00 1.18 0.00 0.00 52.55 55.51 3hri s ASP 327 Cb -0.00 -2.52 0.39 0.00 -0.34 0.00 0.00 42.92 40.45 3hri s ASP 327 CO 0.01 0.15 1.60 0.03 0.68 0.00 0.00 175.17 177.63 3hri h ARG 328 N 4.63 0.00 0.00 2.11 3.08 -1.28 -2.81 114.38 120.10 3hri h ARG 328 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 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 0.68 0.51 0.00 -0.25 -1.07 0.00 0.00 179.97 179.84 3hri n ASP 329 N -3.47 0.00 -0.62 7.04 9.92 -1.26 -4.89 116.55 123.26 3hri n ASP 329 Ca 0.00 0.49 -0.06 0.00 -0.53 0.00 0.00 54.79 54.69 3hri n ASP 329 Cb 0.63 -0.49 -0.01 0.00 -0.64 0.00 0.00 41.12 40.60 3hri n ASP 329 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hri n GLY 330 N 0.19 0.38 0.12 0.44 0.00 -1.06 -4.96 105.19 100.29 3hri n GLY 330 Ca 0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 3hri n GLY 330 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hri h ASN 331 N 0.00 0.28 -2.08 1.61 2.35 -1.90 -3.49 115.58 112.34 3hri h ASN 331 Ca -0.14 -0.79 -0.50 0.00 -0.55 0.00 0.00 56.30 54.32 3hri h ASN 331 Cb 0.86 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.09 3hri h ASN 331 CO 0.18 1.61 -0.50 -0.36 -1.65 0.00 0.00 177.43 176.71 3hri s PHE 332 N -2.45 3.04 1.33 1.19 0.40 -1.26 -5.13 117.98 115.09 3hri s PHE 332 Ca -0.23 -0.17 -0.21 0.00 -0.60 0.00 0.00 56.93 55.72 3hri s PHE 332 Cb 0.05 -1.53 0.33 0.00 0.51 0.00 0.00 43.02 42.38 3hri s PHE 332 CO 0.72 0.41 1.01 -0.98 0.70 0.00 0.00 175.22 177.08 3hri s ARG 333 N -3.89 -2.19 0.31 0.44 1.04 -1.26 -4.72 118.95 108.69 3hri s ARG 333 Ca 0.35 0.05 -0.30 0.00 -1.04 0.00 0.00 55.73 54.80 3hri s ARG 333 Cb -0.07 -1.47 -0.11 0.00 -2.04 0.00 0.00 34.95 31.25 3hri s ARG 333 CO 0.25 -4.37 1.58 0.00 -0.04 0.00 0.00 175.30 172.73 3hri n ALA 334 N -5.25 2.56 0.24 7.88 0.00 -1.26 -4.77 120.51 119.91 3hri n ALA 334 Ca 0.13 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.82 3hri n ALA 334 Cb 0.60 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 3hri n ALA 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hri h LEU 335 N 4.48 -0.56 -8.33 0.00 4.07 -1.72 -3.47 115.31 109.78 3hri h LEU 335 Ca -0.48 -0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.27 3hri h LEU 335 Cb 1.23 0.14 -0.15 0.00 1.08 0.00 0.00 40.66 42.96 3hri h LEU 335 CO 0.77 -0.15 -0.69 0.00 -1.08 0.00 0.00 178.44 177.29 3hri s GLY 337 N -2.86 -0.28 0.00 0.00 0.00 0.02 0.28 107.32 104.49 3hri s GLY 337 Ca 0.08 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.12 3hri s GLY 337 CO -0.06 2.16 0.00 0.61 0.00 0.00 0.00 173.10 175.81 3hri n GLY 338 N 5.21 2.14 0.00 0.20 0.00 -0.86 -0.43 105.19 111.46 3hri n GLY 338 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 -2.52 3.66 -0.02 0.00 -0.19 -0.75 105.19 105.37 3hri n GLY 339 Ca 0.00 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.97 4.18 -0.64 1.61 3.52 -0.51 -2.44 118.95 122.70 3hri s ARG 340 Ca 0.00 0.44 0.05 0.00 -0.13 0.00 0.00 55.73 56.08 3hri s ARG 340 Cb 0.00 -3.58 0.16 0.00 -1.56 0.00 0.00 34.95 29.98 3hri s ARG 340 CO 0.00 -0.19 0.44 1.52 -0.81 0.00 0.00 175.30 176.26 3hri s TYR 341 N 1.76 3.12 0.42 5.12 -0.85 0.14 -0.38 117.35 126.68 3hri s TYR 341 Ca 0.24 -3.15 0.11 0.00 -0.52 0.00 0.00 57.07 53.75 3hri s TYR 341 Cb -0.15 -2.44 0.94 0.00 0.38 0.00 0.00 41.96 40.69 3hri s TYR 341 CO 0.10 -0.61 2.00 -0.44 -1.52 0.00 0.00 175.55 175.07 3hri h ASP 342 N 5.59 0.44 -0.16 -0.18 3.32 -1.87 -1.29 116.42 122.27 3hri h ASP 342 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hri h ASP 342 Cb 0.80 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3hri h ASP 342 CO 0.66 0.29 0.00 0.59 -1.72 0.00 0.00 179.24 179.05 3hri n ASN 343 N -4.47 1.58 0.30 6.45 4.13 -1.26 -4.00 115.26 117.98 3hri n ASN 343 Ca 0.08 -2.12 -0.17 0.00 1.68 0.00 0.00 54.58 54.05 3hri n ASN 343 Cb 0.26 -0.34 -0.09 0.00 -1.54 0.00 0.00 39.78 38.07 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 1.01 -1.05 -0.73 3.41 5.85 -1.53 -2.15 115.31 120.13 3hri h LEU 344 Ca 0.00 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3hri h LEU 344 Cb 0.56 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3hri h LEU 344 CO 0.06 -0.58 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.28 3hri h LEU 345 N -0.89 0.74 -1.46 2.25 3.38 -1.84 -2.49 115.31 114.99 3hri h LEU 345 Ca -0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3hri h LEU 345 Cb 0.76 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hri h LEU 345 CO 0.00 0.95 -0.01 0.71 0.09 0.00 0.00 178.44 180.17 3hri h THR 346 N 0.63 1.15 -0.72 0.22 1.35 -1.75 -1.49 112.91 112.31 3hri h THR 346 Ca 0.09 -0.59 0.16 0.00 -0.55 0.00 0.00 66.41 65.52 3hri h THR 346 Cb 0.73 1.00 -0.12 0.00 -1.73 0.00 0.00 68.15 68.03 3hri h THR 346 CO 0.06 0.20 0.05 0.74 -0.25 0.00 0.00 175.52 176.31 3hri h THR 347 N 0.32 0.42 -0.44 6.82 2.02 -0.90 -1.43 112.91 119.72 3hri h THR 347 Ca 0.07 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3hri h THR 347 Cb 0.24 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3hri h THR 347 CO 0.01 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 3hri n TYR 348 N -5.28 1.03 0.00 3.16 4.01 -0.92 -4.88 117.16 114.28 3hri n TYR 348 Ca 0.13 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 3hri n TYR 348 Cb 0.44 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.84 0.96 3.74 2.72 0.00 -0.54 -5.07 105.19 107.83 3hri n GLY 349 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 6.41 0.15 1.61 0.15 -0.61 -4.91 113.70 114.43 3hri s SER 350 Ca 0.00 2.87 -0.07 0.00 0.70 0.00 0.00 55.95 59.45 3hri s SER 350 Cb 0.00 -2.62 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3hri s SER 350 CO 0.00 -0.92 1.44 1.55 1.20 0.00 0.00 173.24 176.51 3hri h PRO 351 N 5.80 0.70 -5.03 5.44 0.13 -1.93 -3.39 132.00 133.72 3hri h PRO 351 Ca -0.45 -0.47 -0.64 0.00 -0.87 0.00 0.00 66.00 63.57 3hri h PRO 351 Cb 1.21 0.06 -0.22 0.00 0.13 0.00 0.00 31.00 32.19 3hri h PRO 351 CO 0.87 1.09 -0.62 -0.08 -0.23 0.00 0.00 178.00 179.02 3hri s THR 352 N -3.98 4.31 0.14 1.56 -1.32 -1.26 -5.05 115.64 110.04 3hri s THR 352 Ca -0.09 -0.18 -0.31 0.00 -1.21 0.00 0.00 61.69 59.90 3hri s THR 352 Cb 0.10 -2.99 -0.09 0.00 -1.51 0.00 0.00 72.50 68.01 3hri s THR 352 CO 0.87 0.37 1.46 0.00 -2.21 0.00 0.00 174.62 175.10 3hri s ALA 353 N 1.33 3.66 -0.10 11.08 0.00 -1.26 -4.73 121.76 131.74 3hri s ALA 353 Ca 0.05 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3hri s ALA 353 Cb -0.15 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.42 3hri s ALA 353 CO 0.03 -0.68 -0.14 0.08 0.00 0.00 0.00 175.76 175.05 3hri s VAL 354 N 1.03 1.40 0.35 0.00 1.01 -1.26 -5.08 120.40 117.86 3hri s VAL 354 Ca 0.66 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 3hri s VAL 354 Cb -0.40 -1.28 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 3hri s VAL 354 CO 0.31 0.42 1.49 -0.81 0.00 0.00 0.00 175.10 176.52 3hri n PRO 355 N 4.10 2.63 -3.75 2.72 -0.04 -1.26 -4.69 135.00 134.71 3hri n PRO 355 Ca -0.20 0.92 -0.13 0.00 -0.04 0.00 0.00 63.50 64.05 3hri n PRO 355 Cb 0.51 -2.65 -0.14 0.00 -0.04 0.00 0.00 33.50 31.18 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 1.16 0.83 0.04 0.00 1.01 -0.91 0.24 120.40 122.78 3hri s VAL 357 Ca -0.09 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 3hri s VAL 357 Cb -0.11 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.51 3hri s VAL 357 CO -0.06 -0.31 1.21 -0.83 0.00 0.00 0.00 175.10 175.11 3hri s GLY 358 N -1.68 -0.14 0.08 4.51 0.00 -1.02 -0.65 107.32 108.43 3hri s GLY 358 Ca -0.06 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.65 3hri s GLY 358 CO 0.01 3.26 0.24 -0.11 0.00 0.00 0.00 173.10 176.49 3hri s PHE 359 N -2.22 0.05 -0.10 1.90 -0.12 0.03 -1.02 117.98 116.49 3hri s PHE 359 Ca 0.23 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 3hri s PHE 359 Cb 0.00 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 3hri s PHE 359 CO 0.00 -0.54 -0.11 0.20 -0.05 0.00 0.00 175.22 174.72 3hri s GLY 360 N -2.59 1.59 -0.44 1.99 0.00 0.43 -2.37 107.32 105.93 3hri s GLY 360 Ca 0.01 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3hri s GLY 360 CO -0.09 -0.41 0.25 -0.12 0.00 0.00 0.00 173.10 172.73 3hri s PHE 361 N -0.14 1.90 1.16 1.90 5.36 -0.30 -0.80 117.98 127.06 3hri s PHE 361 Ca -0.00 -2.38 -0.13 0.00 -0.96 0.00 0.00 56.93 53.46 3hri s PHE 361 Cb -0.13 -1.80 0.28 0.00 -0.34 0.00 0.00 43.02 41.03 3hri s PHE 361 CO 0.03 -0.78 1.03 0.41 -1.46 0.00 0.00 175.22 174.45 3hri n GLY 362 N 3.51 -1.90 0.88 13.12 0.00 -1.26 -0.84 105.19 118.71 3hri n GLY 362 Ca 0.10 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 45.06 3hri n GLY 362 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hri n ASP 363 N -4.94 3.01 -0.08 1.61 5.75 -0.16 -4.58 116.55 117.18 3hri n ASP 363 Ca 0.04 -1.88 -0.08 0.00 -0.01 0.00 0.00 54.79 52.85 3hri n ASP 363 Cb 0.54 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.90 1.21 -0.80 0.00 2.07 -1.90 -2.61 116.25 113.32 3hri h VAL 365 Ca -0.01 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3hri h VAL 365 Cb 0.91 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3hri h VAL 365 CO -0.01 0.24 0.52 0.40 0.02 0.00 0.00 177.57 178.74 3hri h ILE 366 N 0.73 1.02 0.50 4.57 1.08 -1.83 -1.65 117.51 121.94 3hri h ILE 366 Ca 0.18 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 3hri h ILE 366 Cb 0.15 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 3hri h ILE 366 CO -0.02 0.15 -0.24 0.58 -0.69 0.00 0.00 178.15 177.93 3hri h VAL 367 N 0.85 0.43 -0.90 1.67 2.07 -1.67 -1.31 116.25 117.38 3hri h VAL 367 Ca 0.35 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.73 3hri h VAL 367 Cb 0.27 0.56 -0.17 0.00 -1.52 0.00 0.00 31.29 30.43 3hri h VAL 367 CO -0.13 0.05 -0.12 -0.33 0.02 0.00 0.00 177.57 177.07 3hri h GLU 368 N -0.90 0.02 0.55 1.57 5.08 -0.96 0.12 114.58 120.05 3hri h GLU 368 Ca -0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3hri h GLU 368 Cb 0.60 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3hri h GLU 368 CO 0.11 0.01 -0.26 1.25 -1.00 0.00 0.00 179.01 179.12 3hri h LEU 369 N 0.02 -0.63 -2.07 1.33 5.85 -1.26 -1.13 115.31 117.42 3hri h LEU 369 Ca 0.48 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.27 3hri h LEU 369 Cb 0.83 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3hri h LEU 369 CO -0.88 -0.37 0.34 -0.07 -0.34 0.00 0.00 178.44 177.11 3hri h LEU 370 N -0.85 0.00 0.06 2.25 3.38 0.07 0.16 115.31 120.38 3hri h LEU 370 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hri h LEU 370 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3hri h LEU 370 CO 0.12 0.00 -0.03 -1.13 0.09 0.00 0.00 178.44 177.49 3hri h ASN 371 N 0.00 -0.07 -0.05 -0.43 -1.24 -0.31 0.94 115.58 114.41 3hri h ASN 371 Ca 0.16 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 56.78 3hri h ASN 371 Cb 0.84 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.89 3hri h ASN 371 CO -0.00 0.39 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.16 3hri h GLU 372 N -0.56 -0.06 -0.34 6.67 3.07 0.47 -1.32 114.58 122.51 3hri h GLU 372 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hri h GLU 372 Cb 0.48 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3hri h GLU 372 CO 0.01 -0.04 0.00 0.36 -1.40 0.00 0.00 179.01 177.95 3hri n LYS 373 N -5.16 0.85 -3.85 2.33 -0.00 -0.07 -4.87 118.16 107.39 3hri n LYS 373 Ca -0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.01 3hri n LYS 373 Cb 0.09 -1.17 0.01 0.00 -0.00 0.00 0.00 35.03 33.96 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 -0.27 -4.23 -0.01 -1.58 5.02 -0.50 -5.52 118.16 111.07 3hri n LYS 374 Ca 0.00 0.52 0.03 0.00 -2.02 0.00 0.00 58.31 56.84 3hri n LYS 374 Cb 0.08 -4.94 0.03 0.00 -0.02 0.00 0.00 35.03 30.18 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 -4.37 1.53 -4.75 -0.35 4.77 0.32 -5.01 117.00 109.15 3hri n LEU 375 Ca -0.26 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.24 3hri n LEU 375 Cb 0.66 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 3hri n LEU 375 CO 0.73 0.33 0.83 -0.76 -1.33 0.00 0.00 177.39 177.18 3hri s LEU 376 N -0.50 4.50 0.35 2.23 1.43 -1.10 -4.94 118.68 120.65 3hri s LEU 376 Ca 0.07 2.23 -0.14 0.00 -1.03 0.00 0.00 54.13 55.26 3hri s LEU 376 Cb 0.05 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.57 3hri s LEU 376 CO 0.07 -0.25 0.75 -2.16 0.23 0.00 0.00 176.35 174.99 3hri s PRO 377 N -0.77 3.93 -0.65 1.29 0.04 -1.26 -5.01 135.00 132.57 3hri s PRO 377 Ca 0.49 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 3hri s PRO 377 Cb -0.32 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 31.89 3hri s PRO 377 CO 0.38 0.08 0.92 -1.21 0.04 0.00 0.00 177.00 177.22 3hri s GLU 378 N -3.28 3.11 0.17 4.56 0.41 -1.26 -5.03 118.70 117.37 3hri s GLU 378 Ca 0.53 -0.95 0.03 0.00 -0.41 0.00 0.00 54.97 54.18 3hri s GLU 378 Cb -0.10 -4.25 -0.03 0.00 -1.78 0.00 0.00 34.13 27.96 3hri s GLU 378 CO 0.22 -1.77 0.29 -0.51 -0.49 0.00 0.00 175.26 173.00 3hri s LEU 379 N 3.78 4.30 -0.07 1.80 1.43 -1.26 -5.12 118.68 123.55 3hri s LEU 379 Ca 0.20 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3hri s LEU 379 Cb -0.18 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.20 3hri s LEU 379 CO 0.09 0.03 0.16 -1.00 0.23 0.00 0.00 176.35 175.86 3hri s HIS 380 N -1.79 -0.19 -0.11 0.29 3.76 -1.26 -5.09 115.29 110.90 3hri s HIS 380 Ca 0.34 0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 55.45 3hri s HIS 380 Cb -0.11 0.00 -0.07 0.00 1.11 0.00 0.00 32.58 33.52 3hri s HIS 380 CO 0.28 -0.13 2.12 1.58 -0.85 0.00 0.00 174.74 177.74 3hri n HIS 381 N 3.62 2.19 -5.13 1.40 -0.00 -1.26 -4.97 115.22 111.08 3hri n HIS 381 Ca -0.20 -0.24 -0.29 0.00 0.46 0.00 0.00 57.72 57.46 3hri n HIS 381 Cb 0.55 -2.76 -0.16 0.00 -0.12 0.00 0.00 29.99 27.51 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 6.72 1.86 0.03 3.57 1.01 -1.26 -3.87 120.40 128.46 3hri s VAL 382 Ca 0.96 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3hri s VAL 382 Cb -0.38 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3hri s VAL 382 CO 0.38 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 175.21 3hri s VAL 383 N -0.58 0.61 0.08 2.92 1.01 -1.26 -5.00 120.40 118.17 3hri s VAL 383 Ca 0.09 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3hri s VAL 383 Cb -0.09 -0.62 -0.20 0.00 0.00 0.00 0.00 36.38 35.47 3hri s VAL 383 CO -0.01 -0.23 1.23 0.44 0.00 0.00 0.00 175.10 176.54 3hri h ASP 384 N 4.85 0.89 -3.75 3.32 3.32 -1.24 -3.26 116.42 120.55 3hri h ASP 384 Ca -0.35 -0.69 -0.32 0.00 0.02 0.00 0.00 57.03 55.69 3hri h ASP 384 Cb 1.20 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 40.18 3hri h ASP 384 CO 0.43 1.45 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.84 3hri s ASP 385 N -7.15 0.50 -0.20 6.45 1.01 -0.90 -1.92 116.67 114.47 3hri s ASP 385 Ca -0.10 -0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.04 3hri s ASP 385 Cb 0.07 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.85 3hri s ASP 385 CO 0.90 0.01 -0.00 -0.22 0.21 0.00 0.00 175.17 176.07 3hri s LEU 386 N 0.24 3.25 -0.10 1.23 2.96 -0.49 -0.30 118.68 125.46 3hri s LEU 386 Ca -0.02 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.47 3hri s LEU 386 Cb -0.05 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3hri s LEU 386 CO -0.00 0.06 0.60 -0.69 -1.32 0.00 0.00 176.35 175.00 3hri s VAL 387 N 1.02 5.10 -0.29 1.68 1.01 0.19 -0.18 120.40 128.93 3hri s VAL 387 Ca 0.02 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 3hri s VAL 387 Cb -0.14 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.34 3hri s VAL 387 CO 0.02 0.27 -0.01 -0.63 0.00 0.00 0.00 175.10 174.74 3hri s ILE 388 N 0.86 2.98 0.10 2.22 1.01 0.22 -2.29 121.20 126.30 3hri s ILE 388 Ca 0.32 -1.33 -0.31 0.00 0.00 0.00 0.00 60.65 59.33 3hri s ILE 388 Cb -0.16 -2.69 -0.08 0.00 0.01 0.00 0.00 42.46 39.54 3hri s ILE 388 CO 0.14 -0.07 1.38 -2.84 0.00 0.00 0.00 174.94 173.55 3hri s PRO 389 N 1.26 4.33 0.17 2.79 0.02 -1.26 -1.41 135.00 140.90 3hri s PRO 389 Ca -0.05 2.04 -0.19 0.00 0.02 0.00 0.00 61.00 62.82 3hri s PRO 389 Cb -0.19 -3.28 0.10 0.00 0.02 0.00 0.00 34.50 31.15 3hri s PRO 389 CO -0.01 -0.43 1.62 0.35 -0.33 0.00 0.00 177.00 178.20 3hri h PHE 390 N 6.89 -0.59 -3.46 6.54 3.04 -1.50 -3.45 116.94 124.41 3hri h PHE 390 Ca -0.42 0.05 -0.23 0.00 3.98 0.00 0.00 57.97 61.35 3hri h PHE 390 Cb 1.21 0.32 -0.06 0.00 2.56 0.00 0.00 35.95 39.98 3hri h PHE 390 CO 0.67 -0.31 -0.21 -0.40 -2.02 0.00 0.00 178.31 176.04 3hri n ASP 391 N -5.40 -0.51 0.22 0.41 5.68 -1.26 -4.87 116.55 110.81 3hri n ASP 391 Ca 0.02 -2.18 0.09 0.00 -0.50 0.00 0.00 54.79 52.22 3hri n ASP 391 Cb 0.31 1.09 0.45 0.00 -1.14 0.00 0.00 41.12 41.83 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 -2.42 114.58 114.68 3hri h GLU 392 Ca -0.14 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 3hri h GLU 392 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3hri h GLU 392 CO 0.20 0.26 -0.22 1.79 -1.16 0.00 0.00 179.01 179.87 3hri h THR 393 N 0.00 0.84 -0.24 1.13 1.35 -1.98 -1.64 112.91 112.38 3hri h THR 393 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3hri h THR 393 Cb 0.74 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3hri h THR 393 CO 0.03 0.22 0.00 0.23 -0.25 0.00 0.00 175.52 175.75 3hri n MET 394 N -3.81 1.57 0.26 4.72 2.81 -0.91 -4.36 117.12 117.40 3hri n MET 394 Ca -0.02 -0.88 -0.16 0.00 -1.81 0.00 0.00 57.70 54.83 3hri n MET 394 Cb 0.32 -1.20 -0.08 0.00 -0.71 0.00 0.00 33.22 31.55 3hri n MET 394 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3hri h ARG 395 N 1.45 -0.61 -0.11 0.03 2.43 -1.36 -1.68 114.38 114.53 3hri h ARG 395 Ca 0.00 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3hri h ARG 395 Cb 0.33 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3hri h ARG 395 CO 0.00 -0.41 0.23 -1.35 -1.51 0.00 0.00 179.97 176.93 3hri h PRO 396 N -0.63 0.00 0.00 0.20 0.11 -1.81 0.16 132.00 130.03 3hri h PRO 396 Ca -0.06 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.89 3hri h PRO 396 Cb 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3hri h PRO 396 CO 0.08 0.00 -0.88 0.45 -0.21 0.00 0.00 178.00 177.44 3hri h HIS 397 N 0.00 0.01 -0.74 0.65 3.86 -1.85 -3.10 115.15 113.98 3hri h HIS 397 Ca 0.05 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.40 3hri h HIS 397 Cb 0.50 -0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.83 3hri h HIS 397 CO 0.00 1.34 -0.21 0.00 0.86 0.00 0.00 177.93 179.92 3hri h ALA 398 N -0.33 0.42 -0.28 2.45 0.00 -0.32 0.31 119.26 121.50 3hri h ALA 398 Ca -0.24 0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hri h ALA 398 Cb 1.22 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 3hri h ALA 398 CO -0.14 -0.45 -0.27 -0.07 0.00 0.00 0.00 179.25 178.32 3hri h LEU 399 N -0.02 -0.87 -1.54 0.00 3.38 -0.85 -0.44 115.31 114.97 3hri h LEU 399 Ca 0.35 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.53 3hri h LEU 399 Cb 0.55 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3hri h LEU 399 CO -0.77 -0.30 0.39 0.77 0.09 0.00 0.00 178.44 178.63 3hri h SER 400 N -0.26 0.49 -0.03 -0.43 4.64 -0.38 -0.08 113.55 117.51 3hri h SER 400 Ca 0.15 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.31 3hri h SER 400 Cb 0.49 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3hri h SER 400 CO -0.43 0.32 -0.54 0.40 -0.87 0.00 0.00 176.83 175.71 3hri h ILE 401 N 0.56 1.31 0.03 0.95 2.04 -0.57 -2.58 117.51 119.25 3hri h ILE 401 Ca 0.26 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.36 3hri h ILE 401 Cb 0.29 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3hri h ILE 401 CO -0.08 0.56 -0.10 0.25 0.00 0.00 0.00 178.15 178.79 3hri h LEU 402 N 0.48 -0.27 -0.52 1.44 5.85 0.62 0.14 115.31 123.04 3hri h LEU 402 Ca 0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3hri h LEU 402 Cb 1.10 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.14 3hri h LEU 402 CO 0.11 -0.14 -0.53 -0.09 -0.34 0.00 0.00 178.44 177.44 3hri h ARG 403 N -0.18 -0.30 -0.25 1.25 9.65 -1.18 -0.71 114.38 122.66 3hri h ARG 403 Ca 0.03 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 3hri h ARG 403 Cb 0.21 0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 3hri h ARG 403 CO -0.08 -0.20 -0.31 0.00 2.80 0.00 0.00 179.97 182.18 3hri h ARG 404 N -0.31 -0.30 0.58 0.20 3.08 -1.01 0.55 114.38 117.16 3hri h ARG 404 Ca 0.11 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3hri h ARG 404 Cb 0.57 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hri h ARG 404 CO -0.66 -0.20 -0.48 -0.07 -1.07 0.00 0.00 179.97 177.49 3hri h LEU 405 N -0.32 -1.27 -1.14 3.04 3.38 -0.63 0.37 115.31 118.75 3hri h LEU 405 Ca 0.13 0.09 0.20 0.00 0.09 0.00 0.00 57.88 58.40 3hri h LEU 405 Cb 0.53 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 3hri h LEU 405 CO -0.43 -0.67 0.62 0.03 0.09 0.00 0.00 178.44 178.08 3hri h ARG 406 N -1.03 0.64 0.00 1.13 3.08 -0.75 0.77 114.38 118.22 3hri h ARG 406 Ca -0.07 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3hri h ARG 406 Cb 0.87 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3hri h ARG 406 CO -0.01 0.42 -0.43 -0.44 -1.07 0.00 0.00 179.97 178.44 3hri h ASP 407 N 0.66 0.00 -0.12 7.04 3.32 0.14 -2.92 116.42 124.54 3hri h ASP 407 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 3hri h ASP 407 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3hri h ASP 407 CO -0.34 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3hri n ALA 408 N -2.34 2.57 0.00 3.45 0.00 0.12 -4.87 120.51 119.44 3hri n ALA 408 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3hri n ALA 408 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.50 1.93 3.80 0.00 0.00 -1.10 -5.05 105.19 105.27 3hri n GLY 409 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.72 4.05 -0.32 1.61 0.52 -1.03 -4.99 118.95 118.07 3hri s ARG 410 Ca 0.00 1.36 -0.20 0.00 -0.52 0.00 0.00 55.73 56.37 3hri s ARG 410 Cb 0.00 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 3hri s ARG 410 CO 0.00 -0.21 0.59 -1.54 0.02 0.00 0.00 175.30 174.16 3hri s SER 411 N -1.87 6.43 0.35 0.23 1.04 -1.26 -3.67 113.70 114.95 3hri s SER 411 Ca 0.62 0.26 0.06 0.00 0.48 0.00 0.00 55.95 57.37 3hri s SER 411 Cb -0.17 -2.31 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 3hri s SER 411 CO 0.21 -0.49 0.01 0.00 0.98 0.00 0.00 173.24 173.95 3hri s ALA 412 N 2.56 2.69 0.26 5.32 0.00 -1.26 -0.96 121.76 130.37 3hri s ALA 412 Ca 0.23 -2.12 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 3hri s ALA 412 Cb -0.15 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 3hri s ALA 412 CO 0.13 -0.17 0.48 0.34 0.00 0.00 0.00 175.76 176.54 3hri s ASP 413 N -3.57 -0.00 0.03 0.00 2.15 0.59 -4.92 116.67 110.95 3hri s ASP 413 Ca 0.34 -0.99 -0.06 0.00 0.43 0.00 0.00 52.55 52.28 3hri s ASP 413 Cb 0.08 0.60 -0.01 0.00 -0.30 0.00 0.00 42.92 43.29 3hri s ASP 413 CO 0.16 -1.17 0.10 -0.51 -0.17 0.00 0.00 175.17 173.59 3hri s ILE 414 N -3.89 0.13 -0.33 4.11 2.07 -1.26 0.54 121.20 122.57 3hri s ILE 414 Ca 0.23 -1.04 -0.29 0.00 -1.41 0.00 0.00 60.65 58.14 3hri s ILE 414 Cb -0.01 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.75 3hri s ILE 414 CO 0.10 -0.57 1.25 -0.69 -1.91 0.00 0.00 174.94 173.11 3hri s VAL 415 N -2.47 4.21 -0.04 4.00 1.01 -0.97 -4.92 120.40 121.22 3hri s VAL 415 Ca -0.06 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 3hri s VAL 415 Cb -0.02 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3hri s VAL 415 CO -0.04 -0.54 0.15 -0.26 0.00 0.00 0.00 175.10 174.41 3hri h PHE 416 N 9.11 -0.08 -3.96 5.22 0.04 -1.99 -3.46 116.94 121.82 3hri h PHE 416 Ca -0.25 -0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.06 3hri h PHE 416 Cb 1.09 0.02 0.08 0.00 2.20 0.00 0.00 35.95 39.34 3hri h PHE 416 CO 0.89 -0.05 0.27 -0.51 -0.60 0.00 0.00 178.31 178.31 3hri s ASP 417 N -4.16 4.76 -0.06 2.17 -0.00 -1.26 -5.01 116.67 113.12 3hri s ASP 417 Ca -0.01 0.54 -0.30 0.00 -0.00 0.00 0.00 52.55 52.78 3hri s ASP 417 Cb 0.00 -1.16 -0.05 0.00 -0.00 0.00 0.00 42.92 41.71 3hri s ASP 417 CO 0.04 -1.66 1.62 -1.59 -0.00 0.00 0.00 175.17 173.58 3hri s LYS 418 N -5.32 4.19 0.43 8.23 0.00 -1.26 -5.03 119.74 120.98 3hri s LYS 418 Ca 0.60 2.15 0.07 0.00 0.00 0.00 0.00 55.97 58.79 3hri s LYS 418 Cb -0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 37.83 33.72 3hri s LYS 418 CO 0.46 -0.83 0.18 0.15 0.00 0.00 0.00 175.35 175.31 3hri s LYS 419 N 3.94 2.21 -0.16 1.78 -0.14 -1.26 -5.13 119.74 120.97 3hri s LYS 419 Ca 0.72 -1.91 -0.08 0.00 -1.36 0.00 0.00 55.97 53.34 3hri s LYS 419 Cb -0.32 -1.94 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 3hri s LYS 419 CO 0.28 -0.17 0.12 -1.59 -0.76 0.00 0.00 175.35 173.23 3hri s LYS 420 N -3.92 3.84 0.34 1.68 -2.85 -1.26 -4.94 119.74 112.63 3hri s LYS 420 Ca 0.38 -0.21 0.15 0.00 -1.00 0.00 0.00 55.97 55.28 3hri s LYS 420 Cb 0.04 -3.28 1.13 0.00 -2.06 0.00 0.00 37.83 33.65 3hri s LYS 420 CO 0.21 0.49 1.61 -0.39 0.10 0.00 0.00 175.35 177.37 3hri h VAL 421 N 4.42 0.13 -0.25 1.79 -1.51 -1.94 1.00 116.25 119.91 3hri h VAL 421 Ca -0.46 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 64.82 3hri h VAL 421 Cb 1.18 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 3hri h VAL 421 CO 0.68 0.02 -0.44 -0.37 -1.23 0.00 0.00 177.57 176.23 3hri h VAL 422 N 0.13 1.30 -0.39 7.19 -1.51 -1.97 0.64 116.25 121.64 3hri h VAL 422 Ca 0.75 -1.63 0.06 0.00 -1.23 0.00 0.00 66.70 64.65 3hri h VAL 422 Cb 1.82 1.59 -0.05 0.00 -2.13 0.00 0.00 31.29 32.52 3hri h VAL 422 CO -0.72 0.52 0.09 -0.61 -1.23 0.00 0.00 177.57 175.61 3hri h GLN 423 N 0.50 0.22 -0.81 5.19 4.15 0.55 0.37 115.11 125.28 3hri h GLN 423 Ca 0.03 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.48 3hri h GLN 423 Cb 0.97 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.56 3hri h GLN 423 CO 0.09 0.14 0.51 0.00 -1.93 0.00 0.00 178.83 177.64 3hri h ALA 424 N 1.29 1.07 0.00 3.38 0.00 -0.26 0.12 119.26 124.85 3hri h ALA 424 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hri h ALA 424 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hri h ALA 424 CO -0.23 0.31 -0.40 0.74 0.00 0.00 0.00 179.25 179.67 3hri h PHE 425 N 0.98 0.00 0.63 0.00 0.04 0.86 -1.87 116.94 117.58 3hri h PHE 425 Ca 0.33 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 3hri h PHE 425 Cb 0.05 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.21 3hri h PHE 425 CO -0.03 0.40 -0.30 -0.91 -0.60 0.00 0.00 178.31 176.86 3hri h ASN 426 N 0.00 -0.72 -0.92 2.17 4.21 -0.37 -3.17 115.58 116.78 3hri h ASN 426 Ca -0.00 0.02 0.27 0.00 1.21 0.00 0.00 56.30 57.80 3hri h ASN 426 Cb 0.79 0.19 -0.15 0.00 -1.12 0.00 0.00 38.32 38.02 3hri h ASN 426 CO 0.05 -0.46 0.25 0.22 -1.29 0.00 0.00 177.43 176.20 3hri h TYR 427 N -0.95 0.37 -0.41 1.19 3.20 -0.67 0.61 116.97 120.32 3hri h TYR 427 Ca -0.09 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3hri h TYR 427 Cb 0.65 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3hri h TYR 427 CO 0.06 -0.28 0.17 0.00 -1.64 0.00 0.00 178.16 176.47 3hri h ALA 428 N 1.85 0.50 0.82 1.82 0.00 -1.45 -2.63 119.26 120.16 3hri h ALA 428 Ca 0.61 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.51 3hri h ALA 428 Cb 1.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3hri h ALA 428 CO -0.72 -0.21 -0.39 0.22 0.00 0.00 0.00 179.25 178.15 3hri h ASP 429 N 0.35 -0.93 0.00 0.00 3.58 0.16 -1.09 116.42 118.49 3hri h ASP 429 Ca 0.18 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3hri h ASP 429 Cb 0.14 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3hri h ASP 429 CO -0.16 -0.63 0.00 0.54 -2.88 0.00 0.00 179.24 176.10 3hri n ARG 430 N -5.54 0.22 0.00 0.28 5.12 0.09 -2.40 116.66 114.42 3hri n ARG 430 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 3hri n ARG 430 Cb 0.44 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 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 -0.36 0.00 0.00 0.55 -6.64 -1.02 -5.02 119.36 106.87 3hri n ILE 431 Ca 0.00 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 3hri n ILE 431 Cb 0.01 0.30 0.00 0.00 -1.44 0.00 0.00 39.64 38.51 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 0.98 1.40 6.37 3.28 0.00 -1.01 -4.37 105.19 111.84 3hri n GLY 432 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.42 -4.52 120.51 120.18 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 -3.70 0.00 4.32 -1.25 -4.00 117.00 112.37 3hri n LEU 434 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 3hri n LEU 434 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 3hri n LEU 434 CO 0.00 0.00 0.17 -0.60 -1.22 0.00 0.00 177.39 175.74 3hri s ARG 435 N 0.00 0.64 -0.13 3.23 3.52 -0.81 -2.81 118.95 122.59 3hri s ARG 435 Ca 0.00 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 3hri s ARG 435 Cb 0.00 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 3hri s ARG 435 CO 0.00 -0.12 -0.17 0.00 -0.81 0.00 0.00 175.30 174.20 3hri s ALA 436 N -0.18 1.94 -0.44 6.12 0.00 -0.40 -1.40 121.76 127.40 3hri s ALA 436 Ca -0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 3hri s ALA 436 Cb -0.03 -0.97 0.11 0.00 0.00 0.00 0.00 23.12 22.23 3hri s ALA 436 CO 0.02 -0.18 0.27 0.08 0.00 0.00 0.00 175.76 175.95 3hri s VAL 437 N 1.12 3.81 0.28 0.00 1.01 0.75 -1.04 120.40 126.33 3hri s VAL 437 Ca -0.02 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 59.86 3hri s VAL 437 Cb -0.14 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3hri s VAL 437 CO -0.05 -0.69 0.90 -0.22 0.00 0.00 0.00 175.10 175.03 3hri s LEU 438 N 1.28 4.44 -0.31 3.92 0.20 0.12 -0.61 118.68 127.71 3hri s LEU 438 Ca 0.06 1.80 0.01 0.00 0.69 0.00 0.00 54.13 56.69 3hri s LEU 438 Cb -0.24 -3.81 0.09 0.00 -0.43 0.00 0.00 46.19 41.80 3hri s LEU 438 CO -0.02 0.02 0.06 -0.69 -0.29 0.00 0.00 176.35 175.44 3hri s VAL 439 N -1.46 1.39 0.17 1.68 1.01 -0.50 -1.74 120.40 120.93 3hri s VAL 439 Ca 0.46 -1.65 0.11 0.00 0.00 0.00 0.00 61.98 60.90 3hri s VAL 439 Cb -0.20 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3hri s VAL 439 CO 0.26 -0.57 -0.24 0.00 0.00 0.00 0.00 175.10 174.54 3hri s ALA 440 N 1.37 2.50 0.10 5.51 0.00 -1.26 -1.27 121.76 128.70 3hri s ALA 440 Ca 0.08 -1.57 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 3hri s ALA 440 Cb -0.18 -0.37 -0.12 0.00 0.00 0.00 0.00 23.12 22.45 3hri s ALA 440 CO -0.17 0.48 1.72 -1.00 0.00 0.00 0.00 175.76 176.79 3hri h PRO 441 N 3.45 0.12 -0.73 0.00 0.13 -1.97 -0.03 132.00 132.97 3hri h PRO 441 Ca -0.48 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 3hri h PRO 441 Cb 1.19 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 3hri h PRO 441 CO 0.45 0.11 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.39 3hri h ASP 442 N 0.09 -1.80 -0.25 1.44 5.19 -1.97 0.20 116.42 119.32 3hri h ASP 442 Ca 0.03 0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.68 3hri h ASP 442 Cb 0.02 0.78 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3hri h ASP 442 CO -0.01 -0.24 0.04 -0.33 -3.12 0.00 0.00 179.24 175.58 3hri h GLU 443 N -0.09 0.42 -0.78 3.56 3.07 -1.78 -3.11 114.58 115.87 3hri h GLU 443 Ca 0.12 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3hri h GLU 443 Cb 0.39 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.21 3hri h GLU 443 CO -0.73 0.55 0.51 2.35 -1.40 0.00 0.00 179.01 180.29 3hri h TRP 444 N 0.22 0.89 -0.80 4.33 2.91 -0.24 0.19 115.95 123.45 3hri h TRP 444 Ca 0.08 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.07 3hri h TRP 444 Cb 0.34 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.66 3hri h TRP 444 CO 0.02 0.49 0.32 0.00 -1.03 0.00 0.00 178.44 178.25 3hri h ALA 445 N 1.56 1.03 -0.04 2.65 0.00 -0.56 -2.16 119.26 121.74 3hri h ALA 445 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hri h ALA 445 Cb 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hri h ALA 445 CO -0.11 0.66 0.00 2.89 0.00 0.00 0.00 179.25 182.69 3hri n ARG 446 N -4.29 1.13 -2.53 0.00 0.00 -0.48 -4.86 116.66 105.63 3hri n ARG 446 Ca 0.07 -0.16 -0.06 0.00 -0.00 0.00 0.00 57.85 57.70 3hri n ARG 446 Cb 0.18 -1.13 0.01 0.00 -0.00 0.00 0.00 32.46 31.52 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 0.47 0.40 3.23 2.89 0.00 -0.81 -5.04 105.19 106.33 3hri n GLY 447 Ca 0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.94 1.03 0.05 1.61 1.03 0.54 -4.33 118.70 113.68 3hri s GLU 448 Ca 0.10 -1.45 -0.02 0.00 0.03 0.00 0.00 54.97 53.63 3hri s GLU 448 Cb -0.04 -0.47 -0.03 0.00 -0.80 0.00 0.00 34.13 32.79 3hri s GLU 448 CO 0.12 0.01 0.01 0.14 -1.33 0.00 0.00 175.26 174.21 3hri s VAL 449 N -3.45 0.18 -0.23 1.83 -7.23 -0.68 -2.26 120.40 108.57 3hri s VAL 449 Ca 0.17 -1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 3hri s VAL 449 Cb 0.04 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 3hri s VAL 449 CO 0.00 -0.83 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.35 3hri s ARG 450 N -3.32 3.46 -0.27 4.82 3.52 -0.71 -1.65 118.95 124.79 3hri s ARG 450 Ca 0.01 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 3hri s ARG 450 Cb 0.03 -3.09 0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3hri s ARG 450 CO -0.08 -0.19 -0.04 0.08 -0.81 0.00 0.00 175.30 174.26 3hri s VAL 451 N 1.50 2.83 -0.27 7.11 1.01 -0.38 0.10 120.40 132.31 3hri s VAL 451 Ca 0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 3hri s VAL 451 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.74 3hri s VAL 451 CO -0.01 0.05 -0.05 -0.54 0.00 0.00 0.00 175.10 174.54 3hri s LYS 452 N 1.27 2.54 0.22 2.72 1.02 -0.21 -3.66 119.74 123.65 3hri s LYS 452 Ca -0.03 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 3hri s LYS 452 Cb -0.18 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.02 3hri s LYS 452 CO -0.03 -0.52 0.97 -1.64 -0.92 0.00 0.00 175.35 173.21 3hri s MET 453 N 1.24 4.79 -0.88 1.68 -1.94 -1.26 -1.28 119.30 121.65 3hri s MET 453 Ca -0.04 1.54 -0.03 0.00 -1.71 0.00 0.00 55.69 55.45 3hri s MET 453 Cb -0.19 -3.28 0.21 0.00 2.01 0.00 0.00 34.83 33.58 3hri s MET 453 CO -0.04 0.41 2.28 1.28 -0.01 0.00 0.00 175.02 178.94 3hri n LEU 454 N 1.70 7.30 -0.04 -0.03 4.32 -1.12 -4.97 117.00 124.16 3hri n LEU 454 Ca -0.01 -4.75 -0.13 0.00 -0.02 0.00 0.00 56.01 51.10 3hri n LEU 454 Cb 0.47 -1.20 -0.09 0.00 -1.62 0.00 0.00 43.42 40.98 3hri n LEU 454 CO 0.51 1.88 0.61 0.03 -1.22 0.00 0.00 177.39 179.20 3hri h ARG 455 N 3.61 0.19 0.00 3.23 3.08 -1.93 -3.46 114.38 119.10 3hri h ARG 455 Ca 0.54 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3hri h ARG 455 Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hri h ARG 455 CO 1.23 0.64 0.00 0.41 -1.07 0.00 0.00 179.97 181.18 3hri n GLY 468 N 0.26 0.67 3.59 0.04 0.00 -1.26 -5.16 105.19 103.33 3hri n GLY 468 Ca -0.07 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 0.81 -1.00 0.20 -0.61 -5.25 -1.24 -4.92 121.20 109.20 3hri s ILE 469 Ca 0.00 0.00 -0.25 0.00 -0.99 0.00 0.00 60.65 59.41 3hri s ILE 469 Cb 0.00 -1.00 -0.08 0.00 2.95 0.00 0.00 42.46 44.33 3hri s ILE 469 CO 0.00 0.00 0.80 -0.69 -1.79 0.00 0.00 174.94 173.26 3hri s VAL 470 N 2.89 4.36 -0.06 8.37 1.01 -1.26 -1.25 120.40 134.46 3hri s VAL 470 Ca -0.03 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 3hri s VAL 470 Cb -0.12 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3hri s VAL 470 CO -0.19 0.43 0.46 -0.76 0.00 0.00 0.00 175.10 175.04 3hri s LEU 471 N -1.37 0.25 0.09 3.92 1.43 -0.66 -4.96 118.68 117.38 3hri s LEU 471 Ca 0.39 0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.70 3hri s LEU 471 Cb -0.22 1.73 -0.14 0.00 0.03 0.00 0.00 46.19 47.60 3hri s LEU 471 CO 0.26 -0.44 1.70 -0.65 0.23 0.00 0.00 176.35 177.45 3hri h PRO 472 N 3.93 -0.24 0.00 1.29 0.11 -1.88 -1.81 132.00 133.40 3hri h PRO 472 Ca -0.28 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 3hri h PRO 472 Cb 1.17 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3hri h PRO 472 CO 0.35 -0.16 -2.04 0.28 -0.21 0.00 0.00 178.00 176.22 3hri n VAL 473 N -5.22 0.65 -0.16 3.15 0.31 -1.26 -4.65 118.33 111.15 3hri n VAL 473 Ca -0.08 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3hri n VAL 473 Cb 0.14 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3hri n VAL 473 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98