#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrk s GLU 50 N 0.00 4.09 -0.19 5.55 2.56 -1.26 -4.96 118.70 124.49 3hrk s GLU 50 Ca 0.00 0.52 0.11 0.00 0.00 0.00 0.00 54.97 55.60 3hrk s GLU 50 Cb 0.00 -3.66 -0.23 0.00 2.00 0.00 0.00 34.13 32.25 3hrk s GLU 50 CO 0.00 -0.42 0.09 0.25 -0.56 0.00 0.00 175.26 174.62 3hrk n THR 51 N 5.21 1.48 -2.15 -1.70 -2.24 -1.26 -5.00 114.28 108.62 3hrk n THR 51 Ca -0.01 -0.75 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 3hrk n THR 51 Cb 0.49 -0.91 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 3hrk n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hrk s GLU 52 N -2.52 3.19 0.67 -0.78 0.41 -1.26 -5.01 118.70 113.39 3hrk s GLU 52 Ca -0.17 1.69 -0.10 0.00 -0.41 0.00 0.00 54.97 55.98 3hrk s GLU 52 Cb 0.07 -1.97 0.02 0.00 -1.78 0.00 0.00 34.13 30.46 3hrk s GLU 52 CO 0.76 -1.00 1.03 -1.25 -0.49 0.00 0.00 175.26 174.31 3hrk s PRO 53 N -3.32 2.84 0.19 0.39 0.04 -1.26 -4.97 135.00 128.90 3hrk s PRO 53 Ca 0.74 0.29 -0.32 0.00 0.04 0.00 0.00 61.00 61.75 3hrk s PRO 53 Cb -0.26 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 3hrk s PRO 53 CO 0.30 -0.95 1.71 0.08 0.04 0.00 0.00 177.00 178.18 3hrk s VAL 54 N -3.25 2.21 0.00 -0.36 1.01 -1.26 -4.78 120.40 113.97 3hrk s VAL 54 Ca 0.57 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3hrk s VAL 54 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3hrk s VAL 54 CO 0.49 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.60 3hrk n GLN 55 N 4.21 0.00 -1.30 2.72 -0.00 -1.26 -1.91 117.38 119.84 3hrk n GLN 55 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.89 3hrk n GLN 55 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.62 3hrk n GLN 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hrk n GLY 56 N 0.00 4.72 3.95 2.61 0.00 -1.26 -4.92 105.19 110.29 3hrk n GLY 56 Ca 0.00 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 3hrk n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrk s ARG 58 N -4.01 3.31 0.49 0.00 0.52 -1.26 -4.80 118.95 113.19 3hrk s ARG 58 Ca 0.37 -0.47 -0.18 0.00 -0.52 0.00 0.00 55.73 54.92 3hrk s ARG 58 Cb -0.10 -2.84 -0.09 0.00 0.52 0.00 0.00 34.95 32.45 3hrk s ARG 58 CO 0.32 0.47 0.98 -0.51 0.02 0.00 0.00 175.30 176.58 3hrk s ASP 59 N -0.26 6.70 -0.60 0.23 1.01 -1.26 -5.05 116.67 117.45 3hrk s ASP 59 Ca 0.05 1.64 0.05 0.00 0.71 0.00 0.00 52.55 54.99 3hrk s ASP 59 Cb -0.13 -2.52 0.17 0.00 1.01 0.00 0.00 42.92 41.45 3hrk s ASP 59 CO 0.02 -0.53 0.45 0.49 0.21 0.00 0.00 175.17 175.81 3hrk n PHE 60 N -1.23 1.73 -1.47 4.23 3.01 -1.26 -4.96 117.46 117.52 3hrk n PHE 60 Ca 0.07 -3.94 -0.31 0.00 1.01 0.00 0.00 57.45 54.28 3hrk n PHE 60 Cb 0.54 -0.30 0.08 0.00 -0.01 0.00 0.00 39.48 39.78 3hrk n PHE 60 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3hrk s PRO 61 N -0.96 2.43 0.33 -1.08 0.04 -1.26 -4.45 135.00 130.05 3hrk s PRO 61 Ca 0.28 0.90 0.10 0.00 0.04 0.00 0.00 61.00 62.32 3hrk s PRO 61 Cb -0.00 -1.94 1.00 0.00 0.04 0.00 0.00 34.50 33.60 3hrk s PRO 61 CO -0.18 -1.45 1.59 -1.35 0.04 0.00 0.00 177.00 175.66 3hrk h PRO 62 N -0.97 0.06 0.27 0.56 0.11 -1.99 0.63 132.00 130.67 3hrk h PRO 62 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3hrk h PRO 62 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hrk h PRO 62 CO 0.56 0.04 -0.13 1.49 -0.21 0.00 0.00 178.00 179.75 3hrk h GLU 63 N 0.06 -0.35 -0.34 1.05 4.81 -2.00 -1.21 114.58 116.60 3hrk h GLU 63 Ca 0.70 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.82 3hrk h GLU 63 Cb 1.64 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.09 3hrk h GLU 63 CO -0.80 -0.19 -0.30 0.00 -0.73 0.00 0.00 179.01 176.98 3hrk h ALA 64 N 0.31 0.49 -0.81 2.92 0.00 -0.87 -3.13 119.26 118.17 3hrk h ALA 64 Ca -0.04 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.58 3hrk h ALA 64 Cb 0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3hrk h ALA 64 CO 0.06 0.53 0.53 1.98 0.00 0.00 0.00 179.25 182.35 3hrk h MET 65 N 0.59 0.64 -0.39 0.00 1.85 0.22 -1.55 114.93 116.29 3hrk h MET 65 Ca 0.06 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 3hrk h MET 65 Cb 0.88 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.75 3hrk h MET 65 CO 0.08 0.42 0.25 0.00 -0.40 0.00 0.00 176.91 177.26 3hrk h ARG 66 N 0.66 0.51 -0.85 0.39 3.08 -1.16 -0.97 114.38 116.04 3hrk h ARG 66 Ca 0.39 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.53 3hrk h ARG 66 Cb 0.60 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.44 3hrk h ARG 66 CO -0.15 0.35 0.46 0.00 -1.07 0.00 0.00 179.97 179.56 3hrk h ARG 68 N 0.70 -0.35 -0.51 0.00 2.43 -0.87 -2.16 114.38 113.62 3hrk h ARG 68 Ca 0.45 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.74 3hrk h ARG 68 Cb 0.56 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 3hrk h ARG 68 CO -0.32 -0.13 0.04 0.00 -1.51 0.00 0.00 179.97 178.04 3hrk h ARG 69 N -0.50 0.15 -0.93 0.20 2.47 -0.56 0.15 114.38 115.36 3hrk h ARG 69 Ca -0.04 -0.01 0.19 0.00 -1.26 0.00 0.00 59.98 58.86 3hrk h ARG 69 Cb 0.38 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.55 3hrk h ARG 69 CO 0.06 0.10 0.50 1.25 0.56 0.00 0.00 179.97 182.44 3hrk h HIS 70 N 0.15 0.87 -0.03 3.04 2.76 -0.57 0.11 115.15 121.50 3hrk h HIS 70 Ca 0.26 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.45 3hrk h HIS 70 Cb 0.38 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 3hrk h HIS 70 CO -0.29 0.14 -0.05 1.25 -1.30 0.00 0.00 177.93 177.69 3hrk h LEU 71 N 0.62 0.09 -0.63 0.26 5.85 -0.16 -3.23 115.31 118.11 3hrk h LEU 71 Ca 0.54 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3hrk h LEU 71 Cb 0.88 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3hrk h LEU 71 CO -0.42 0.62 0.16 -0.26 -0.34 0.00 0.00 178.44 178.20 3hrk h PHE 72 N -0.43 1.05 -0.95 1.25 -1.00 -0.33 -2.39 116.94 114.13 3hrk h PHE 72 Ca 0.00 -0.12 0.14 0.00 2.81 0.00 0.00 57.97 60.80 3hrk h PHE 72 Cb 0.60 -0.30 -0.09 0.00 3.61 0.00 0.00 35.95 39.77 3hrk h PHE 72 CO 0.11 0.87 0.57 -0.44 -1.61 0.00 0.00 178.31 177.81 3hrk h ASP 73 N 0.93 0.77 -0.56 2.17 3.32 -0.88 0.28 116.42 122.45 3hrk h ASP 73 Ca 0.20 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3hrk h ASP 73 Cb 0.34 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3hrk h ASP 73 CO 0.00 0.36 0.08 0.58 -1.72 0.00 0.00 179.24 178.54 3hrk h VAL 74 N 0.83 1.26 -0.04 -1.35 2.07 -1.47 0.20 116.25 117.74 3hrk h VAL 74 Ca 0.50 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3hrk h VAL 74 Cb 0.62 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3hrk h VAL 74 CO -0.32 0.36 -0.10 -0.26 0.02 0.00 0.00 177.57 177.27 3hrk h PHE 75 N 0.83 -0.25 0.06 1.57 0.04 -0.13 -0.69 116.94 118.38 3hrk h PHE 75 Ca 0.17 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3hrk h PHE 75 Cb 0.43 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3hrk h PHE 75 CO 0.03 -0.15 -0.03 0.45 -0.60 0.00 0.00 178.31 178.01 3hrk h HIS 76 N -0.15 -0.08 -0.74 -0.55 3.86 -0.67 -1.95 115.15 114.87 3hrk h HIS 76 Ca 0.05 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.34 3hrk h HIS 76 Cb 0.22 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.65 3hrk h HIS 76 CO -0.18 0.01 0.41 0.00 0.86 0.00 0.00 177.93 179.03 3hrk h ALA 77 N 0.78 1.02 -0.24 2.45 0.00 -0.79 -0.52 119.26 121.95 3hrk h ALA 77 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hrk h ALA 77 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hrk h ALA 77 CO 0.01 0.05 0.03 1.15 0.00 0.00 0.00 179.25 180.50 3hrk h THR 78 N 0.71 1.23 0.00 0.00 2.02 -1.07 0.35 112.91 116.16 3hrk h THR 78 Ca 0.35 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3hrk h THR 78 Cb 0.29 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3hrk h THR 78 CO -0.22 0.25 -0.46 0.00 0.37 0.00 0.00 175.52 175.45 3hrk h ALA 79 N 0.85 -0.89 -0.24 6.16 0.00 -0.86 0.19 119.26 124.46 3hrk h ALA 79 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hrk h ALA 79 Cb 0.34 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3hrk h ALA 79 CO 0.01 -1.02 -0.23 -0.22 0.00 0.00 0.00 179.25 177.78 3hrk h LYS 80 N -0.58 -0.23 -0.80 0.00 3.64 -0.88 0.67 116.57 118.40 3hrk h LYS 80 Ca 0.01 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 3hrk h LYS 80 Cb 0.62 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 3hrk h LYS 80 CO -0.30 -0.15 0.54 1.15 -2.27 0.00 0.00 179.45 178.41 3hrk h THR 81 N -0.24 0.73 -0.02 1.00 2.02 0.04 0.10 112.91 116.54 3hrk h THR 81 Ca 0.14 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3hrk h THR 81 Cb 0.45 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3hrk h THR 81 CO -0.38 0.06 -0.17 0.49 0.37 0.00 0.00 175.52 175.89 3hrk n PHE 82 N -4.46 0.00 -2.62 3.16 3.72 0.69 -4.98 117.46 112.97 3hrk n PHE 82 Ca 0.16 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.52 3hrk n PHE 82 Cb 0.63 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 39.16 3hrk n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrk n GLY 83 N 1.31 0.64 3.90 1.37 0.00 0.20 -5.03 105.19 107.58 3hrk n GLY 83 Ca 0.14 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3hrk n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hrk s PHE 84 N -3.06 3.53 -0.09 1.61 0.40 -0.68 -4.82 117.98 114.87 3hrk s PHE 84 Ca 0.09 0.48 -0.08 0.00 -0.60 0.00 0.00 56.93 56.81 3hrk s PHE 84 Cb -0.04 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 3hrk s PHE 84 CO 0.13 0.55 0.19 -1.21 0.70 0.00 0.00 175.22 175.58 3hrk s GLU 85 N -2.24 3.53 0.17 0.44 2.02 0.22 -4.41 118.70 118.43 3hrk s GLU 85 Ca 0.34 -0.04 -0.24 0.00 0.02 0.00 0.00 54.97 55.05 3hrk s GLU 85 Cb -0.13 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 30.83 3hrk s GLU 85 CO 0.22 0.76 0.76 -2.00 0.02 0.00 0.00 175.26 175.02 3hrk s GLU 86 N -1.08 4.51 0.23 1.61 2.12 -1.26 -0.34 118.70 124.49 3hrk s GLU 86 Ca 0.17 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.61 3hrk s GLU 86 Cb -0.13 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 3hrk s GLU 86 CO 0.06 0.56 0.12 1.52 -0.54 0.00 0.00 175.26 176.98 3hrk s TYR 87 N -1.19 1.33 -0.09 5.30 -0.85 0.14 -4.88 117.35 117.10 3hrk s TYR 87 Ca 0.36 -1.32 -0.25 0.00 -0.52 0.00 0.00 57.07 55.34 3hrk s TYR 87 Cb -0.22 -0.69 0.06 0.00 0.38 0.00 0.00 41.96 41.48 3hrk s TYR 87 CO 0.25 -0.54 0.58 0.34 -1.52 0.00 0.00 175.55 174.67 3hrk s ASP 88 N -3.23 -0.55 0.46 -0.18 2.15 -1.26 -4.40 116.67 109.65 3hrk s ASP 88 Ca 0.38 0.73 0.05 0.00 0.43 0.00 0.00 52.55 54.14 3hrk s ASP 88 Cb 0.07 0.70 -0.04 0.00 -0.30 0.00 0.00 42.92 43.34 3hrk s ASP 88 CO 0.13 -0.46 0.05 0.00 -0.17 0.00 0.00 175.17 174.72 3hrk s ALA 89 N -0.78 3.65 0.43 3.66 0.00 -1.26 -5.12 121.76 122.34 3hrk s ALA 89 Ca -0.08 -1.48 -0.24 0.00 0.00 0.00 0.00 51.96 50.16 3hrk s ALA 89 Cb -0.02 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 3hrk s ALA 89 CO 0.06 -0.10 1.17 -2.14 0.00 0.00 0.00 175.76 174.75 3hrk s PRO 90 N -3.83 3.89 0.35 0.00 0.02 -1.26 -4.93 135.00 129.25 3hrk s PRO 90 Ca 0.24 1.82 0.11 0.00 0.02 0.00 0.00 61.00 63.19 3hrk s PRO 90 Cb 0.05 -2.53 0.66 0.00 0.02 0.00 0.00 34.50 32.70 3hrk s PRO 90 CO 0.13 -0.45 1.80 -0.24 -0.33 0.00 0.00 177.00 177.91 3hrk h VAL 91 N 2.09 1.27 -3.32 3.83 3.04 -1.97 -3.41 116.25 117.78 3hrk h VAL 91 Ca -0.49 -1.29 -0.57 0.00 -1.01 0.00 0.00 66.70 63.33 3hrk h VAL 91 Cb 1.24 1.64 -0.07 0.00 -2.01 0.00 0.00 31.29 32.09 3hrk h VAL 91 CO 0.61 0.38 -0.10 -0.22 -1.01 0.00 0.00 177.57 177.23 3hrk s LEU 92 N -8.26 4.31 0.28 3.16 2.96 -1.26 -0.73 118.68 119.13 3hrk s LEU 92 Ca -0.03 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3hrk s LEU 92 Cb 0.14 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 3hrk s LEU 92 CO 0.74 0.01 0.10 -1.61 -1.32 0.00 0.00 176.35 174.26 3hrk s GLU 93 N 0.48 1.47 0.39 1.98 0.41 -0.19 -4.94 118.70 118.29 3hrk s GLU 93 Ca 0.28 -1.81 -0.26 0.00 -0.41 0.00 0.00 54.97 52.77 3hrk s GLU 93 Cb -0.16 -0.35 -0.09 0.00 -1.78 0.00 0.00 34.13 31.75 3hrk s GLU 93 CO 0.12 -0.29 1.28 0.45 -0.49 0.00 0.00 175.26 176.33 3hrk s SER 94 N -3.35 6.44 0.14 -0.19 0.15 -1.26 -1.03 113.70 114.60 3hrk s SER 94 Ca 0.37 2.60 -0.18 0.00 0.70 0.00 0.00 55.95 59.44 3hrk s SER 94 Cb 0.08 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3hrk s SER 94 CO 0.14 -0.75 1.78 -0.08 1.20 0.00 0.00 173.24 175.53 3hrk h GLU 95 N 2.81 0.33 -1.13 5.44 4.81 -1.80 -2.85 114.58 122.21 3hrk h GLU 95 Ca -0.49 -0.02 0.41 0.00 -0.13 0.00 0.00 59.36 59.13 3hrk h GLU 95 Cb 1.24 -0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.39 3hrk h GLU 95 CO 0.63 0.22 0.67 0.93 -0.73 0.00 0.00 179.01 180.73 3hrk h GLU 96 N 0.34 0.09 -0.52 1.92 5.08 -1.92 -1.70 114.58 117.89 3hrk h GLU 96 Ca 0.12 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.59 3hrk h GLU 96 Cb 0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3hrk h GLU 96 CO -0.06 0.06 0.36 1.25 -1.00 0.00 0.00 179.01 179.62 3hrk h LEU 97 N 0.09 0.17 -3.87 1.33 5.85 -1.89 -2.42 115.31 114.57 3hrk h LEU 97 Ca 0.82 0.01 -0.42 0.00 0.84 0.00 0.00 57.88 59.12 3hrk h LEU 97 Cb 2.28 -0.03 -0.25 0.00 0.37 0.00 0.00 40.66 43.02 3hrk h LEU 97 CO -0.61 0.10 0.50 -1.22 -0.34 0.00 0.00 178.44 176.87 3hrk n TYR 98 N -4.44 2.72 -2.86 1.25 4.01 -0.64 -4.87 117.16 112.33 3hrk n TYR 98 Ca 0.09 -1.70 -0.43 0.00 -0.16 0.00 0.00 57.90 55.70 3hrk n TYR 98 Cb 0.45 -0.85 -0.03 0.00 -0.31 0.00 0.00 39.34 38.61 3hrk n TYR 98 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hrk s ILE 99 N -3.24 4.43 0.06 -0.72 1.01 -0.91 -4.64 121.20 117.19 3hrk s ILE 99 Ca 0.55 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3hrk s ILE 99 Cb 0.46 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 38.19 3hrk s ILE 99 CO 0.10 -1.51 0.00 0.54 0.00 0.00 0.00 174.94 174.07 3hrk n ARG 100 N 7.40 0.00 -3.48 2.79 1.74 -1.26 -5.08 116.66 118.76 3hrk n ARG 100 Ca 0.09 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.97 3hrk n ARG 100 Cb 0.47 -0.39 0.06 0.00 -1.02 0.00 0.00 32.46 31.58 3hrk n ARG 100 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hrk n LYS 101 N -3.14 -4.44 -1.45 5.56 5.02 -1.26 -4.92 118.16 113.53 3hrk n LYS 101 Ca 0.00 0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 56.73 3hrk n LYS 101 Cb 0.23 -5.49 0.03 0.00 -0.02 0.00 0.00 35.03 29.77 3hrk n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hrk n ALA 102 N -3.93 6.19 -1.19 7.82 0.00 -1.26 -4.76 120.51 123.38 3hrk n ALA 102 Ca -0.21 -3.21 -0.06 0.00 0.00 0.00 0.00 53.44 49.95 3hrk n ALA 102 Cb 0.65 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 3hrk n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrk n GLY 103 N -0.15 0.83 3.78 0.00 0.00 -1.26 -3.99 105.19 104.40 3hrk n GLY 103 Ca 0.51 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3hrk n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrk s GLU 104 N -2.16 1.21 0.02 1.61 2.02 -1.26 -4.97 118.70 115.17 3hrk s GLU 104 Ca 0.00 0.36 0.22 0.00 0.02 0.00 0.00 54.97 55.57 3hrk s GLU 104 Cb 0.00 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.29 3hrk s GLU 104 CO 0.00 -2.16 0.89 0.39 0.02 0.00 0.00 175.26 174.40 3hrk n GLU 105 N -3.75 0.27 0.18 1.61 1.02 -1.26 -4.49 120.64 114.21 3hrk n GLU 105 Ca 0.06 -0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 3hrk n GLU 105 Cb 0.59 -1.55 0.32 0.00 -0.02 0.00 0.00 31.44 30.78 3hrk n GLU 105 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3hrk h ILE 106 N 0.00 0.00 -0.35 -3.67 2.10 -1.93 -3.23 117.51 110.43 3hrk h ILE 106 Ca 0.00 -0.72 -0.11 0.00 1.08 0.00 0.00 64.86 65.11 3hrk h ILE 106 Cb 0.71 1.70 -0.01 0.00 -1.09 0.00 0.00 36.82 38.12 3hrk h ILE 106 CO 0.00 0.00 -0.24 0.74 -1.08 0.00 0.00 178.15 177.57 3hrk h THR 107 N 0.00 1.27 0.00 2.19 2.02 -1.93 -3.27 112.91 113.20 3hrk h THR 107 Ca 0.00 -1.34 -0.25 0.00 0.77 0.00 0.00 66.41 65.60 3hrk h THR 107 Cb 0.82 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3hrk h THR 107 CO 0.00 0.44 -1.95 -0.62 0.37 0.00 0.00 175.52 173.76 3hrk n GLU 108 N -4.11 0.66 -0.61 6.66 4.71 -1.25 -4.46 120.64 122.24 3hrk n GLU 108 Ca -0.00 0.07 -0.17 0.00 -0.01 0.00 0.00 57.16 57.06 3hrk n GLU 108 Cb 0.43 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 3hrk n GLU 108 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3hrk n GLN 109 N -2.76 1.65 -4.71 3.49 6.02 -1.22 -4.85 117.38 115.00 3hrk n GLN 109 Ca -0.20 -1.18 -0.24 0.00 -0.01 0.00 0.00 57.00 55.38 3hrk n GLN 109 Cb 0.96 -2.28 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 3hrk n GLN 109 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3hrk s MET 110 N 3.37 1.30 -1.18 -1.09 1.75 -1.26 -2.85 119.30 119.34 3hrk s MET 110 Ca 0.33 -0.68 -0.12 0.00 -1.25 0.00 0.00 55.69 53.98 3hrk s MET 110 Cb 0.10 -1.29 0.21 0.00 2.84 0.00 0.00 34.83 36.69 3hrk s MET 110 CO -0.02 0.35 1.35 1.19 -0.65 0.00 0.00 175.02 177.23 3hrk n PHE 111 N 2.42 4.95 -4.22 4.11 3.01 -1.26 -4.75 117.46 121.72 3hrk n PHE 111 Ca -0.15 -3.51 -0.33 0.00 1.01 0.00 0.00 57.45 54.47 3hrk n PHE 111 Cb 0.54 -2.00 -0.08 0.00 -0.01 0.00 0.00 39.48 37.93 3hrk n PHE 111 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hrk s ASN 112 N 2.15 5.35 0.23 4.37 4.22 -1.26 -1.16 114.94 128.84 3hrk s ASN 112 Ca 0.39 0.07 -0.10 0.00 -2.14 0.00 0.00 52.86 51.07 3hrk s ASN 112 Cb -0.05 -1.47 0.04 0.00 1.28 0.00 0.00 41.25 41.06 3hrk s ASN 112 CO -0.02 0.29 0.55 2.22 -2.04 0.00 0.00 177.10 178.09 3hrk n PHE 113 N 1.41 -1.76 -5.06 1.54 1.16 0.55 -4.97 117.46 110.33 3hrk n PHE 113 Ca -0.15 -1.15 -0.29 0.00 -1.87 0.00 0.00 57.45 54.00 3hrk n PHE 113 Cb 0.53 0.57 -0.16 0.00 -1.61 0.00 0.00 39.48 38.81 3hrk n PHE 113 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hrk s ILE 114 N -2.38 1.75 0.00 1.97 1.01 -1.26 -0.21 121.20 122.07 3hrk s ILE 114 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3hrk s ILE 114 Cb -0.03 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3hrk s ILE 114 CO 0.07 0.49 0.00 1.07 0.00 0.00 0.00 174.94 176.57 3hrk n THR 115 N 2.94 0.00 -0.98 2.92 5.66 -1.26 -4.98 114.28 118.57 3hrk n THR 115 Ca -0.17 0.43 -0.38 0.00 -3.05 0.00 0.00 64.05 60.88 3hrk n THR 115 Cb 0.52 -1.33 0.04 0.00 -1.55 0.00 0.00 70.33 68.01 3hrk n THR 115 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3hrk n HIS 119 N -1.99 -2.33 -1.48 1.09 -0.00 -1.26 -5.19 115.22 104.07 3hrk n HIS 119 Ca 0.00 0.46 -0.31 0.00 -0.00 0.00 0.00 57.72 57.87 3hrk n HIS 119 Cb 0.00 -1.41 0.07 0.00 -0.00 0.00 0.00 29.99 28.66 3hrk n HIS 119 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3hrk s ARG 120 N -2.10 2.49 0.30 1.57 1.70 -1.26 -5.03 118.95 116.61 3hrk s ARG 120 Ca 0.38 0.91 -0.10 0.00 -0.47 0.00 0.00 55.73 56.46 3hrk s ARG 120 Cb 0.02 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.46 3hrk s ARG 120 CO 0.70 -1.41 0.52 0.14 -1.08 0.00 0.00 175.30 174.17 3hrk s VAL 121 N -3.04 0.00 -0.04 4.99 -7.23 0.70 -3.23 120.40 112.55 3hrk s VAL 121 Ca 0.60 -1.42 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 3hrk s VAL 121 Cb -0.15 -2.45 0.06 0.00 0.56 0.00 0.00 36.38 34.40 3hrk s VAL 121 CO 0.55 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.94 3hrk s ALA 122 N -3.45 -1.56 -0.06 1.32 0.00 -0.20 -0.33 121.76 117.49 3hrk s ALA 122 Ca 0.24 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3hrk s ALA 122 Cb -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hrk s ALA 122 CO 0.13 -0.35 0.95 -0.51 0.00 0.00 0.00 175.76 175.99 3hrk s LEU 123 N -1.23 4.30 0.26 0.00 1.43 -0.31 -1.03 118.68 122.11 3hrk s LEU 123 Ca -0.11 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 3hrk s LEU 123 Cb -0.01 -3.49 -0.14 0.00 0.03 0.00 0.00 46.19 42.58 3hrk s LEU 123 CO 0.09 -0.33 1.23 -2.11 0.23 0.00 0.00 176.35 175.45 3hrk n ARG 124 N 4.43 1.69 -0.00 1.70 1.85 0.09 -4.43 116.66 121.98 3hrk n ARG 124 Ca 0.06 0.60 0.09 0.00 -1.00 0.00 0.00 57.85 57.60 3hrk n ARG 124 Cb 0.50 -2.13 -0.12 0.00 -1.05 0.00 0.00 32.46 29.66 3hrk n ARG 124 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3hrk n PRO 125 N 1.35 0.75 -3.68 2.89 -0.04 -1.25 -0.15 135.00 134.87 3hrk n PRO 125 Ca 0.10 -0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 3hrk n PRO 125 Cb 0.31 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 3hrk n PRO 125 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hrk s GLU 126 N -2.92 0.89 0.01 0.54 -1.05 -1.26 -4.56 118.70 110.34 3hrk s GLU 126 Ca 0.03 -0.34 -0.04 0.00 -0.15 0.00 0.00 54.97 54.47 3hrk s GLU 126 Cb 0.14 0.39 -0.28 0.00 -0.44 0.00 0.00 34.13 33.94 3hrk s GLU 126 CO 0.78 -0.30 0.88 1.98 0.95 0.00 0.00 175.26 179.55 3hrk h MET 127 N 3.12 0.27 -0.74 -4.83 1.85 -1.94 -3.40 114.93 109.27 3hrk h MET 127 Ca -0.31 -0.46 0.14 0.00 -0.61 0.00 0.00 59.70 58.46 3hrk h MET 127 Cb 1.20 0.17 -0.14 0.00 0.43 0.00 0.00 31.60 33.26 3hrk h MET 127 CO 0.43 1.15 -0.24 1.15 -0.40 0.00 0.00 176.91 178.99 3hrk h THR 128 N 0.07 0.20 -0.38 -0.77 2.02 -1.98 0.35 112.91 112.41 3hrk h THR 128 Ca -0.24 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.01 3hrk h THR 128 Cb 2.02 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 3hrk h THR 128 CO 0.17 0.00 0.02 -0.65 0.37 0.00 0.00 175.52 175.44 3hrk h PRO 129 N -0.04 0.13 -0.45 6.66 0.11 -1.96 0.82 132.00 137.27 3hrk h PRO 129 Ca 0.33 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.49 3hrk h PRO 129 Cb 0.56 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 3hrk h PRO 129 CO -0.78 0.09 0.30 0.77 -0.21 0.00 0.00 178.00 178.17 3hrk h SER 130 N 0.13 0.34 0.31 -2.05 0.02 -0.61 0.18 113.55 111.87 3hrk h SER 130 Ca 0.19 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3hrk h SER 130 Cb 0.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3hrk h SER 130 CO -0.29 0.23 -0.15 0.25 -1.14 0.00 0.00 176.83 175.73 3hrk h LEU 131 N 0.39 -0.35 -0.84 5.07 5.85 0.21 -2.27 115.31 123.37 3hrk h LEU 131 Ca 0.19 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3hrk h LEU 131 Cb 0.27 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 3hrk h LEU 131 CO -0.05 -0.06 0.39 0.00 -0.34 0.00 0.00 178.44 178.38 3hrk h ALA 132 N -0.06 1.26 0.49 1.25 0.00 0.43 0.20 119.26 122.83 3hrk h ALA 132 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hrk h ALA 132 Cb 0.46 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hrk h ALA 132 CO 0.07 -0.19 -0.29 -0.09 0.00 0.00 0.00 179.25 178.75 3hrk h ARG 133 N 0.52 -0.71 -0.48 0.00 2.43 -0.79 -0.31 114.38 115.03 3hrk h ARG 133 Ca 0.47 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.78 3hrk h ARG 133 Cb 0.75 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.38 3hrk h ARG 133 CO -0.42 -0.48 0.01 -0.07 -1.51 0.00 0.00 179.97 177.50 3hrk h LEU 134 N -0.74 -0.19 0.42 3.80 4.07 -0.68 0.21 115.31 122.19 3hrk h LEU 134 Ca -0.06 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 3hrk h LEU 134 Cb 0.60 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 3hrk h LEU 134 CO 0.07 -0.06 -0.42 -0.07 -1.08 0.00 0.00 178.44 176.88 3hrk h LEU 135 N 0.12 -1.15 -1.37 1.67 3.38 -0.31 -0.23 115.31 117.42 3hrk h LEU 135 Ca 0.24 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.42 3hrk h LEU 135 Cb 0.36 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 3hrk h LEU 135 CO -0.40 -0.55 0.53 -0.07 0.09 0.00 0.00 178.44 178.04 3hrk h LEU 136 N -0.83 0.60 -0.58 1.67 3.38 -0.87 -0.79 115.31 117.89 3hrk h LEU 136 Ca -0.05 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hrk h LEU 136 Cb 0.72 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3hrk h LEU 136 CO -0.05 0.34 0.32 1.23 0.09 0.00 0.00 178.44 180.36 3hrk h GLY 137 N 0.66 0.83 1.35 0.83 0.00 0.14 -0.81 103.07 106.06 3hrk h GLY 137 Ca 0.39 -0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.58 3hrk h GLY 137 CO -0.16 0.16 0.24 1.70 0.00 0.00 0.00 176.54 178.48 3hrk h LYS 138 N 0.62 0.00 0.00 4.80 1.63 0.46 -3.47 116.57 120.61 3hrk h LYS 138 Ca 0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3hrk h LYS 138 Cb 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3hrk h LYS 138 CO -0.15 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.26 3hrk n GLY 139 N -1.58 2.30 0.28 5.01 0.00 -0.31 -2.17 105.19 108.71 3hrk n GLY 139 Ca 0.05 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.65 3hrk n GLY 139 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hrk h ARG 140 N 0.00 0.00 0.00 1.61 0.11 -1.90 -2.13 114.38 112.07 3hrk h ARG 140 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hrk h ARG 140 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3hrk h ARG 140 CO 0.00 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.94 3hrk n SER 141 N -4.44 0.00 -4.66 0.08 3.41 -0.92 -4.73 113.62 102.36 3hrk n SER 141 Ca -0.02 0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 3hrk n SER 141 Cb 0.13 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 3hrk n SER 141 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hrk s LEU 142 N -2.82 4.15 -0.15 1.04 2.96 -0.80 -5.00 118.68 118.05 3hrk s LEU 142 Ca 0.08 1.66 -0.14 0.00 -0.22 0.00 0.00 54.13 55.51 3hrk s LEU 142 Cb 0.08 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 3hrk s LEU 142 CO 0.20 -0.82 0.31 -0.76 -1.32 0.00 0.00 176.35 173.96 3hrk s LEU 143 N 3.67 4.26 0.13 -0.68 1.43 -1.26 -5.02 118.68 121.21 3hrk s LEU 143 Ca 0.56 0.54 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 3hrk s LEU 143 Cb -0.22 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3hrk s LEU 143 CO 0.17 0.10 -0.20 -0.76 0.23 0.00 0.00 176.35 175.89 3hrk s LEU 144 N 0.41 2.37 0.81 1.79 1.43 -1.26 -4.10 118.68 120.12 3hrk s LEU 144 Ca 0.17 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 3hrk s LEU 144 Cb -0.13 -0.86 0.08 0.00 0.03 0.00 0.00 46.19 45.31 3hrk s LEU 144 CO 0.05 0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 3hrk s PRO 145 N -2.35 1.94 0.04 1.29 0.04 -1.26 -5.10 135.00 129.59 3hrk s PRO 145 Ca 0.11 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.39 3hrk s PRO 145 Cb -0.08 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 3hrk s PRO 145 CO 0.05 -1.87 -0.17 0.00 0.04 0.00 0.00 177.00 175.06 3hrk s ALA 146 N -2.87 1.39 -0.36 8.56 0.00 0.30 -4.99 121.76 123.79 3hrk s ALA 146 Ca 0.62 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3hrk s ALA 146 Cb -0.18 -0.25 0.11 0.00 0.00 0.00 0.00 23.12 22.80 3hrk s ALA 146 CO 0.56 0.29 0.13 0.15 0.00 0.00 0.00 175.76 176.89 3hrk s LYS 147 N -1.09 1.14 -0.02 0.00 1.02 -1.26 -0.34 119.74 119.19 3hrk s LYS 147 Ca 0.04 -1.61 0.05 0.00 0.02 0.00 0.00 55.97 54.47 3hrk s LYS 147 Cb -0.08 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3hrk s LYS 147 CO 0.01 -1.02 -0.17 -1.58 -0.92 0.00 0.00 175.35 171.67 3hrk s TRP 148 N 1.01 2.61 0.10 3.18 0.52 -0.49 -0.61 118.94 125.26 3hrk s TRP 148 Ca 0.12 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.03 3hrk s TRP 148 Cb -0.20 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 3hrk s TRP 148 CO -0.13 0.17 -0.03 1.52 0.02 0.00 0.00 176.95 178.50 3hrk s TYR 149 N -0.76 0.85 0.04 -1.98 1.13 0.54 -1.57 117.35 115.60 3hrk s TYR 149 Ca 0.12 -1.02 -0.27 0.00 -1.41 0.00 0.00 57.07 54.49 3hrk s TYR 149 Cb -0.10 -0.51 0.09 0.00 -1.10 0.00 0.00 41.96 40.34 3hrk s TYR 149 CO 0.01 -0.28 0.78 -1.54 -2.51 0.00 0.00 175.55 172.02 3hrk s SER 150 N -3.04 -0.45 -0.55 -0.18 1.04 -0.38 -0.68 113.70 109.47 3hrk s SER 150 Ca 0.15 0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.70 3hrk s SER 150 Cb 0.06 0.46 0.25 0.00 0.10 0.00 0.00 66.02 66.90 3hrk s SER 150 CO -0.04 -0.73 0.67 -0.38 0.98 0.00 0.00 173.24 173.75 3hrk n ILE 151 N -0.18 1.28 -3.09 -1.02 5.41 -1.26 0.55 119.36 121.04 3hrk n ILE 151 Ca -0.12 -4.79 -0.33 0.00 1.00 0.00 0.00 62.75 58.50 3hrk n ILE 151 Cb 0.62 -2.04 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 3hrk n ILE 151 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hrk s PRO 152 N -2.03 4.08 0.58 0.38 0.04 -1.16 -4.73 135.00 132.16 3hrk s PRO 152 Ca 0.38 0.77 -0.17 0.00 0.04 0.00 0.00 61.00 62.02 3hrk s PRO 152 Cb 0.16 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3hrk s PRO 152 CO -0.05 0.17 1.06 -1.14 0.04 0.00 0.00 177.00 177.08 3hrk s GLN 153 N -2.85 3.37 -0.01 4.56 0.74 -1.26 -1.08 119.66 123.12 3hrk s GLN 153 Ca 0.53 1.26 -0.07 0.00 0.05 0.00 0.00 55.36 57.14 3hrk s GLN 153 Cb -0.11 -2.04 0.01 0.00 1.10 0.00 0.00 33.01 31.97 3hrk s GLN 153 CO 0.17 -0.78 0.15 0.00 -0.55 0.00 0.00 175.29 174.28 3hrk s TRP 155 N -1.06 2.08 -0.15 0.00 0.52 0.79 -1.29 118.94 119.83 3hrk s TRP 155 Ca -0.11 -1.62 0.02 0.00 0.02 0.00 0.00 56.10 54.40 3hrk s TRP 155 Cb -0.06 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3hrk s TRP 155 CO 0.01 -0.76 -0.20 1.03 0.02 0.00 0.00 176.95 177.05 3hrk s ARG 156 N 1.50 3.06 -1.19 4.98 0.52 -1.15 -3.89 118.95 122.78 3hrk s ARG 156 Ca -0.02 -0.83 -0.13 0.00 -0.52 0.00 0.00 55.73 54.23 3hrk s ARG 156 Cb -0.18 -2.51 -0.06 0.00 0.52 0.00 0.00 34.95 32.72 3hrk s ARG 156 CO -0.09 -0.05 2.28 0.98 0.02 0.00 0.00 175.30 178.44 3hrk n TYR 157 N 4.17 2.37 -1.13 -0.53 9.36 -1.13 -4.51 117.16 125.76 3hrk n TYR 157 Ca -0.20 -2.46 0.00 0.00 3.32 0.00 0.00 57.90 58.56 3hrk n TYR 157 Cb 0.51 -2.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 3hrk n TYR 157 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3hrk n GLU 158 N 5.39 3.94 -0.91 2.98 2.13 -1.26 -4.73 120.64 128.18 3hrk n GLU 158 Ca 0.55 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.28 3hrk n GLU 158 Cb 0.30 0.00 0.20 0.00 0.27 0.00 0.00 31.44 32.21 3hrk n GLU 158 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hrk n ALA 159 N -3.00 4.60 -0.91 4.31 0.00 -1.26 -4.94 120.51 119.32 3hrk n ALA 159 Ca 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.42 3hrk n ALA 159 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3hrk n ALA 159 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hrk n ILE 160 N -1.07 0.00 -2.38 0.00 -0.00 -1.07 -4.68 119.36 110.15 3hrk n ILE 160 Ca 0.40 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.84 3hrk n ILE 160 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.83 3hrk n ILE 160 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3hrk s THR 161 N 0.00 4.68 0.00 1.39 -1.32 -1.26 -1.85 115.64 117.28 3hrk s THR 161 Ca 0.00 0.88 0.00 0.00 -1.21 0.00 0.00 61.69 61.36 3hrk s THR 161 Cb 0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 3hrk s THR 161 CO 0.00 -0.80 0.00 -1.14 -2.21 0.00 0.00 174.62 170.47 3hrk n ARG 162 N -1.91 0.00 -1.88 7.08 0.63 -1.26 -4.64 116.66 114.67 3hrk n ARG 162 Ca 0.05 0.22 -0.34 0.00 -0.92 0.00 0.00 57.85 56.86 3hrk n ARG 162 Cb 0.54 -0.67 0.04 0.00 0.45 0.00 0.00 32.46 32.82 3hrk n ARG 162 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hrk n GLY 163 N 2.17 5.84 2.25 5.14 0.00 -1.26 -4.62 105.19 114.69 3hrk n GLY 163 Ca 0.00 -2.52 -0.21 0.00 0.00 0.00 0.00 46.02 43.29 3hrk n GLY 163 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hrk n ARG 164 N -0.65 0.78 -1.36 1.61 1.85 -1.17 -4.41 116.66 113.30 3hrk n ARG 164 Ca 0.52 -3.11 -0.31 0.00 -1.00 0.00 0.00 57.85 53.96 3hrk n ARG 164 Cb 0.53 -1.33 0.09 0.00 -1.05 0.00 0.00 32.46 30.70 3hrk n ARG 164 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3hrk s ARG 165 N -1.26 2.16 0.00 2.89 0.52 -0.77 -2.61 118.95 119.88 3hrk s ARG 165 Ca 0.36 0.96 0.09 0.00 -0.52 0.00 0.00 55.73 56.62 3hrk s ARG 165 Cb 0.22 -1.90 0.41 0.00 0.52 0.00 0.00 34.95 34.19 3hrk s ARG 165 CO -0.11 -1.65 1.29 0.54 0.02 0.00 0.00 175.30 175.39 3hrk n ARG 166 N -3.50 0.01 -3.87 3.54 1.74 -0.75 -4.56 116.66 109.27 3hrk n ARG 166 Ca 0.08 0.33 -0.11 0.00 -0.77 0.00 0.00 57.85 57.37 3hrk n ARG 166 Cb 0.54 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 3hrk n ARG 166 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hrk s GLU 167 N -2.97 0.31 -0.04 5.56 -6.30 -1.23 -2.93 118.70 111.10 3hrk s GLU 167 Ca 0.05 -0.17 -0.28 0.00 -2.50 0.00 0.00 54.97 52.07 3hrk s GLU 167 Cb 0.06 0.13 0.06 0.00 0.00 0.00 0.00 34.13 34.39 3hrk s GLU 167 CO 0.17 -0.06 0.62 -3.38 0.02 0.00 0.00 175.26 172.62 3hrk s HIS 168 N -0.75 -0.58 0.27 5.30 -3.43 -0.41 -4.84 115.29 110.85 3hrk s HIS 168 Ca -0.08 0.97 -0.14 0.00 -0.80 0.00 0.00 55.06 55.00 3hrk s HIS 168 Cb -0.05 0.37 -0.08 0.00 -1.43 0.00 0.00 32.58 31.38 3hrk s HIS 168 CO 0.01 -0.58 0.67 0.71 -2.00 0.00 0.00 174.74 173.54 3hrk s TYR 169 N -1.30 3.44 -0.13 0.38 2.02 -1.26 0.28 117.35 120.78 3hrk s TYR 169 Ca -0.11 1.13 -0.04 0.00 -0.37 0.00 0.00 57.07 57.69 3hrk s TYR 169 Cb -0.01 -2.46 0.06 0.00 -0.40 0.00 0.00 41.96 39.15 3hrk s TYR 169 CO 0.08 0.20 0.17 -1.14 -1.57 0.00 0.00 175.55 173.29 3hrk s GLN 170 N -2.73 0.08 -0.39 -0.62 0.74 -0.24 -1.90 119.66 114.59 3hrk s GLN 170 Ca 0.50 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 56.01 3hrk s GLN 170 Cb -0.12 -0.72 0.01 0.00 1.10 0.00 0.00 33.01 33.29 3hrk s GLN 170 CO 0.19 -0.45 1.27 -0.46 -0.55 0.00 0.00 175.29 175.30 3hrk s TRP 171 N 2.28 2.67 -0.24 1.67 -0.00 -0.12 -2.97 118.94 122.23 3hrk s TRP 171 Ca 0.04 0.79 -0.09 0.00 -0.00 0.00 0.00 56.10 56.84 3hrk s TRP 171 Cb -0.13 -4.17 -0.04 0.00 -0.00 0.00 0.00 33.47 29.12 3hrk s TRP 171 CO -0.08 -1.59 0.12 -0.80 -0.00 0.00 0.00 176.95 174.60 3hrk s ASN 172 N 2.99 5.72 -0.13 5.86 -0.87 0.19 -1.51 114.94 127.19 3hrk s ASN 172 Ca 0.55 -0.01 -0.00 0.00 -1.57 0.00 0.00 52.86 51.82 3hrk s ASN 172 Cb -0.13 -2.03 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 3hrk s ASN 172 CO 0.28 0.03 -0.13 -0.04 -2.57 0.00 0.00 177.10 174.67 3hrk s MET 173 N 1.26 3.38 -0.02 -0.60 -1.94 -0.86 -1.24 119.30 119.26 3hrk s MET 173 Ca 0.06 -0.69 -0.00 0.00 -1.71 0.00 0.00 55.69 53.35 3hrk s MET 173 Cb -0.14 -2.62 0.03 0.00 2.01 0.00 0.00 34.83 34.10 3hrk s MET 173 CO 0.05 0.21 0.04 -0.51 -0.01 0.00 0.00 175.02 174.80 3hrk s ASP 174 N 0.36 0.04 -0.19 3.03 1.11 -0.61 -0.51 116.67 119.89 3hrk s ASP 174 Ca -0.11 0.07 -0.07 0.00 0.18 0.00 0.00 52.55 52.62 3hrk s ASP 174 Cb -0.16 -0.02 -0.04 0.00 1.07 0.00 0.00 42.92 43.77 3hrk s ASP 174 CO 0.06 -0.11 0.04 -0.63 1.18 0.00 0.00 175.17 175.71 3hrk s ILE 175 N 0.93 4.55 -0.11 0.77 1.01 0.51 -1.40 121.20 127.45 3hrk s ILE 175 Ca -0.08 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3hrk s ILE 175 Cb -0.11 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.32 3hrk s ILE 175 CO -0.03 0.45 -0.22 -0.69 0.00 0.00 0.00 174.94 174.46 3hrk s VAL 176 N 0.52 1.95 0.00 2.92 1.01 0.54 -1.17 120.40 126.17 3hrk s VAL 176 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3hrk s VAL 176 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3hrk s VAL 176 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3hrk n GLY 177 N 3.81 0.96 3.11 4.51 0.00 0.13 -0.54 105.19 117.16 3hrk n GLY 177 Ca -0.20 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3hrk n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrk s VAL 178 N -2.00 1.88 -0.08 1.61 1.01 -1.25 -4.60 120.40 116.97 3hrk s VAL 178 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 3hrk s VAL 178 Cb 0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 36.38 34.45 3hrk s VAL 178 CO 0.00 0.51 0.99 0.11 0.00 0.00 0.00 175.10 176.72 3hrk h LYS 179 N 7.67 -0.01 -7.48 2.72 1.57 -1.98 -3.42 116.57 115.65 3hrk h LYS 179 Ca -0.38 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.95 3hrk h LYS 179 Cb 1.16 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.61 3hrk h LYS 179 CO 0.57 0.73 0.28 -1.54 -0.57 0.00 0.00 179.45 178.92 3hrk s SER 180 N -5.95 3.25 0.26 0.86 1.04 -1.26 -4.93 113.70 106.97 3hrk s SER 180 Ca -0.17 0.95 0.24 0.00 0.48 0.00 0.00 55.95 57.45 3hrk s SER 180 Cb -0.01 -1.51 0.97 0.00 0.10 0.00 0.00 66.02 65.57 3hrk s SER 180 CO 0.67 -2.71 1.72 1.33 0.98 0.00 0.00 173.24 175.22 3hrk n VAL 181 N -3.87 0.80 -0.30 5.02 0.24 -1.26 -2.95 118.33 116.01 3hrk n VAL 181 Ca 0.07 0.18 0.25 0.00 -2.04 0.00 0.00 64.34 62.79 3hrk n VAL 181 Cb 0.59 -1.11 0.46 0.00 -1.47 0.00 0.00 33.84 32.31 3hrk n VAL 181 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3hrk n SER 182 N -2.25 0.19 0.03 -1.34 7.64 -1.26 -1.07 113.62 115.57 3hrk n SER 182 Ca 0.02 1.55 -0.01 0.00 1.01 0.00 0.00 58.87 61.44 3hrk n SER 182 Cb 0.25 -0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 3hrk n SER 182 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hrk h ALA 183 N 1.85 -1.00 -0.99 -0.43 0.00 -1.89 -2.06 119.26 114.74 3hrk h ALA 183 Ca 0.72 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.83 3hrk h ALA 183 Cb 1.79 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 19.45 3hrk h ALA 183 CO -0.76 -1.00 -0.14 0.93 0.00 0.00 0.00 179.25 178.28 3hrk h GLU 184 N -0.09 0.00 0.09 0.00 3.07 -1.53 0.15 114.58 116.28 3hrk h GLU 184 Ca -0.01 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3hrk h GLU 184 Cb 0.07 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 3hrk h GLU 184 CO 0.01 0.00 -0.53 0.28 -1.40 0.00 0.00 179.01 177.37 3hrk h VAL 185 N 0.00 0.01 -0.47 3.13 2.07 -1.06 0.67 116.25 120.60 3hrk h VAL 185 Ca 0.53 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.12 3hrk h VAL 185 Cb 0.93 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 3hrk h VAL 185 CO -0.99 0.00 -0.47 -0.08 0.02 0.00 0.00 177.57 176.06 3hrk h GLU 186 N -0.74 -0.30 -0.37 1.57 4.57 -0.27 0.19 114.58 119.22 3hrk h GLU 186 Ca -0.00 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3hrk h GLU 186 Cb 0.75 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.36 3hrk h GLU 186 CO -0.31 -0.20 0.03 -0.07 -1.18 0.00 0.00 179.01 177.28 3hrk h LEU 187 N -0.31 -0.09 -0.55 1.64 3.38 0.25 0.91 115.31 120.54 3hrk h LEU 187 Ca 0.13 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3hrk h LEU 187 Cb 0.58 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3hrk h LEU 187 CO -0.62 -0.01 0.02 0.58 0.09 0.00 0.00 178.44 178.50 3hrk h VAL 188 N 0.14 1.26 -0.54 1.22 2.07 0.77 -1.68 116.25 119.49 3hrk h VAL 188 Ca 0.18 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3hrk h VAL 188 Cb 0.24 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3hrk h VAL 188 CO -0.28 0.39 0.36 0.00 0.02 0.00 0.00 177.57 178.06 3hrk h ALA 190 N 1.70 0.65 -0.17 0.00 0.00 0.09 -0.01 119.26 121.52 3hrk h ALA 190 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hrk h ALA 190 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hrk h ALA 190 CO -0.06 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.48 3hrk h ALA 191 N 1.06 0.18 0.16 0.00 0.00 -1.09 -2.20 119.26 117.37 3hrk h ALA 191 Ca 0.17 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hrk h ALA 191 Cb 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hrk h ALA 191 CO -0.02 -0.38 -0.32 0.00 0.00 0.00 0.00 179.25 178.53 3hrk h TRP 193 N -0.58 -1.03 -0.45 0.00 -0.00 -0.92 0.34 115.95 113.32 3hrk h TRP 193 Ca 0.02 0.06 0.07 0.00 -0.00 0.00 0.00 58.89 59.04 3hrk h TRP 193 Cb 0.59 0.51 -0.09 0.00 -0.00 0.00 0.00 29.16 30.17 3hrk h TRP 193 CO -0.27 -0.41 -0.45 0.00 -0.00 0.00 0.00 178.44 177.32 3hrk h ALA 194 N 0.65 -0.46 0.12 2.65 0.00 -0.75 0.71 119.26 122.18 3hrk h ALA 194 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hrk h ALA 194 Cb 0.56 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3hrk h ALA 194 CO -0.56 -0.88 -0.13 0.52 0.00 0.00 0.00 179.25 178.20 3hrk h MET 195 N -0.31 -0.27 -0.95 0.00 2.86 0.21 0.11 114.93 116.58 3hrk h MET 195 Ca 0.14 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.96 3hrk h MET 195 Cb 0.58 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 3hrk h MET 195 CO -0.61 -0.18 0.55 -0.09 1.06 0.00 0.00 176.91 177.65 3hrk h ARG 196 N -0.28 0.74 -0.94 1.72 9.65 0.76 0.37 114.38 126.39 3hrk h ARG 196 Ca 0.01 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3hrk h ARG 196 Cb 0.27 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 3hrk h ARG 196 CO -0.05 0.49 0.62 0.77 2.80 0.00 0.00 179.97 184.61 3hrk h SER 197 N 0.76 1.06 0.54 -3.80 0.02 0.24 -0.98 113.55 111.39 3hrk h SER 197 Ca 0.52 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3hrk h SER 197 Cb 0.73 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3hrk h SER 197 CO -0.35 0.75 0.00 0.18 -1.14 0.00 0.00 176.83 176.27 3hrk n LEU 198 N -4.45 0.12 0.00 5.07 4.77 0.12 -4.84 117.00 117.79 3hrk n LEU 198 Ca 0.11 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3hrk n LEU 198 Cb 0.05 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3hrk n LEU 198 CO 0.36 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3hrk n GLY 199 N 0.01 1.22 4.02 -0.72 0.00 -0.37 -5.00 105.19 104.34 3hrk n GLY 199 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3hrk n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrk s LEU 200 N 0.00 3.35 0.22 0.99 1.43 -0.99 -5.00 118.68 118.68 3hrk s LEU 200 Ca 0.00 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 3hrk s LEU 200 Cb 0.00 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3hrk s LEU 200 CO 0.00 -1.09 0.21 -0.94 0.23 0.00 0.00 176.35 174.75 3hrk s SER 201 N -4.52 0.27 0.50 2.29 1.04 -1.26 -4.23 113.70 107.78 3hrk s SER 201 Ca 0.59 -1.35 0.20 0.00 0.48 0.00 0.00 55.95 55.86 3hrk s SER 201 Cb -0.08 0.44 1.26 0.00 0.10 0.00 0.00 66.02 67.74 3hrk s SER 201 CO 0.36 -0.92 2.03 0.77 0.98 0.00 0.00 173.24 176.46 3hrk h SER 202 N 2.51 0.10 1.25 7.02 4.64 -1.91 -1.52 113.55 125.64 3hrk h SER 202 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3hrk h SER 202 Cb 1.25 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3hrk h SER 202 CO 0.48 0.06 -0.05 0.11 -0.87 0.00 0.00 176.83 176.57 3hrk h LYS 203 N 0.12 0.00 0.11 4.77 6.56 -1.96 -3.23 116.57 122.93 3hrk h LYS 203 Ca 0.20 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.43 3hrk h LYS 203 Cb 0.64 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.28 3hrk h LYS 203 CO -0.02 0.05 -1.98 -0.25 -2.06 0.00 0.00 179.45 175.19 3hrk n ASP 204 N -3.14 2.00 -3.99 0.86 8.00 -0.61 -4.72 116.55 114.95 3hrk n ASP 204 Ca 0.01 0.22 -0.17 0.00 0.71 0.00 0.00 54.79 55.56 3hrk n ASP 204 Cb 0.39 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.56 3hrk n ASP 204 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hrk s VAL 205 N -2.56 0.57 0.32 2.53 1.01 -0.98 -0.60 120.40 120.68 3hrk s VAL 205 Ca -0.21 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3hrk s VAL 205 Cb 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 3hrk s VAL 205 CO 0.77 0.16 0.00 -0.83 0.00 0.00 0.00 175.10 175.21 3hrk s GLY 206 N -0.16 2.02 -0.19 4.51 0.00 0.17 -4.37 107.32 109.29 3hrk s GLY 206 Ca 0.03 -2.03 -0.00 0.00 0.00 0.00 0.00 44.72 42.72 3hrk s GLY 206 CO -0.00 -1.86 -0.04 -0.42 0.00 0.00 0.00 173.10 170.77 3hrk s ILE 207 N -3.09 1.17 0.26 0.90 1.01 -0.19 -0.33 121.20 120.92 3hrk s ILE 207 Ca 0.33 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 3hrk s ILE 207 Cb 0.07 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 41.03 3hrk s ILE 207 CO 0.14 0.01 0.79 -0.54 0.00 0.00 0.00 174.94 175.34 3hrk s LYS 208 N 1.59 4.32 0.02 2.79 1.02 -0.34 -1.98 119.74 127.16 3hrk s LYS 208 Ca -0.02 0.98 0.02 0.00 0.02 0.00 0.00 55.97 56.97 3hrk s LYS 208 Cb -0.17 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3hrk s LYS 208 CO -0.07 0.34 -0.07 0.08 -0.92 0.00 0.00 175.35 174.71 3hrk s VAL 209 N -1.59 0.50 0.23 3.17 1.01 -0.17 -2.21 120.40 121.34 3hrk s VAL 209 Ca 0.46 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 3hrk s VAL 209 Cb -0.17 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.76 3hrk s VAL 209 CO 0.21 -0.12 0.83 0.21 0.00 0.00 0.00 175.10 176.23 3hrk s ASN 210 N -0.85 -0.21 -0.09 3.32 3.84 -0.55 -1.87 114.94 118.53 3hrk s ASN 210 Ca -0.04 -0.54 0.02 0.00 0.21 0.00 0.00 52.86 52.51 3hrk s ASN 210 Cb -0.06 0.63 0.01 0.00 -0.55 0.00 0.00 41.25 41.28 3hrk s ASN 210 CO 0.00 -1.16 -0.14 -0.55 -2.79 0.00 0.00 177.10 172.46 3hrk s SER 211 N -2.94 2.19 0.32 -4.21 0.15 -1.26 0.19 113.70 108.13 3hrk s SER 211 Ca 0.12 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 56.64 3hrk s SER 211 Cb -0.04 -0.98 1.15 0.00 -1.71 0.00 0.00 66.02 64.44 3hrk s SER 211 CO 0.05 0.02 1.75 0.03 1.20 0.00 0.00 173.24 176.29 3hrk h ARG 212 N 7.27 0.00 -0.53 5.44 3.08 -0.28 -2.87 114.38 126.49 3hrk h ARG 212 Ca -0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3hrk h ARG 212 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3hrk h ARG 212 CO 0.47 0.00 0.23 0.87 -1.07 0.00 0.00 179.97 180.48 3hrk h LYS 213 N 0.00 0.77 -0.76 0.04 1.57 -1.76 0.22 116.57 116.66 3hrk h LYS 213 Ca 0.00 -0.13 0.15 0.00 -1.87 0.00 0.00 60.65 58.80 3hrk h LYS 213 Cb 0.23 -0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.26 3hrk h LYS 213 CO 0.00 0.66 -0.20 0.28 -0.57 0.00 0.00 179.45 179.61 3hrk h VAL 214 N 0.71 0.23 0.40 0.50 2.07 -1.90 0.35 116.25 118.62 3hrk h VAL 214 Ca 0.18 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3hrk h VAL 214 Cb 0.15 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3hrk h VAL 214 CO -0.02 0.00 -0.19 0.25 0.02 0.00 0.00 177.57 177.63 3hrk h LEU 215 N -0.01 -0.46 -1.25 2.57 7.12 -1.64 -2.89 115.31 118.74 3hrk h LEU 215 Ca 0.36 -0.12 0.40 0.00 0.13 0.00 0.00 57.88 58.65 3hrk h LEU 215 Cb 0.56 0.12 -0.14 0.00 -0.53 0.00 0.00 40.66 40.67 3hrk h LEU 215 CO -0.78 -0.05 0.73 -0.61 -0.13 0.00 0.00 178.44 177.60 3hrk h GLN 216 N -0.97 0.13 0.70 1.25 4.15 0.51 0.58 115.11 121.47 3hrk h GLN 216 Ca -0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 3hrk h GLN 216 Cb 0.55 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.22 3hrk h GLN 216 CO 0.09 0.09 -0.34 1.15 -1.93 0.00 0.00 178.83 177.89 3hrk h THR 217 N 0.13 0.00 -0.71 2.39 2.02 -0.36 -2.35 112.91 114.03 3hrk h THR 217 Ca 0.80 -0.13 0.16 0.00 0.77 0.00 0.00 66.41 68.00 3hrk h THR 217 Cb 2.28 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.57 3hrk h THR 217 CO -0.51 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 175.95 3hrk h VAL 218 N -1.07 0.39 0.80 3.16 2.07 0.34 0.30 116.25 122.24 3hrk h VAL 218 Ca -0.10 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3hrk h VAL 218 Cb 0.72 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hrk h VAL 218 CO 0.16 0.02 -0.39 0.58 0.02 0.00 0.00 177.57 177.96 3hrk h VAL 219 N 0.10 0.16 -1.03 2.57 2.07 -1.35 -2.39 116.25 116.38 3hrk h VAL 219 Ca 0.38 -0.09 0.29 0.00 0.82 0.00 0.00 66.70 68.10 3hrk h VAL 219 Cb 0.65 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3hrk h VAL 219 CO -0.62 0.01 0.72 -0.08 0.02 0.00 0.00 177.57 177.61 3hrk h GLU 220 N -1.15 0.10 -0.16 1.57 4.81 -0.73 -0.92 114.58 118.11 3hrk h GLU 220 Ca -0.11 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 3hrk h GLU 220 Cb 0.84 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3hrk h GLU 220 CO 0.18 0.07 -0.70 1.96 -0.73 0.00 0.00 179.01 179.79 3hrk h GLN 221 N 0.11 0.67 -7.41 1.92 4.20 -0.16 -3.43 115.11 111.02 3hrk h GLN 221 Ca 0.51 -0.51 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3hrk h GLN 221 Cb 1.83 0.09 0.09 0.00 0.30 0.00 0.00 27.48 29.79 3hrk h GLN 221 CO -0.07 1.13 0.39 0.00 -0.67 0.00 0.00 178.83 179.60 3hrk s ALA 222 N -3.81 2.72 -1.50 3.87 0.00 -0.35 -4.97 121.76 117.73 3hrk s ALA 222 Ca -0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 3hrk s ALA 222 Cb 0.10 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3hrk s ALA 222 CO 0.88 -1.23 2.56 0.41 0.00 0.00 0.00 175.76 178.38 3hrk n GLY 223 N -2.52 4.51 2.86 0.00 0.00 -1.26 -4.80 105.19 103.98 3hrk n GLY 223 Ca 0.07 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 3hrk n GLY 223 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hrk s VAL 224 N 1.75 1.04 0.01 1.61 -7.23 -1.26 -5.13 120.40 111.19 3hrk s VAL 224 Ca 0.58 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 3hrk s VAL 224 Cb 0.16 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 3hrk s VAL 224 CO -0.07 -0.02 0.02 0.35 -0.31 0.00 0.00 175.10 175.07 3hrk n THR 225 N 4.88 0.06 0.16 5.32 -2.24 -1.26 -4.46 114.28 116.73 3hrk n THR 225 Ca -0.11 -0.01 0.16 0.00 -2.27 0.00 0.00 64.05 61.82 3hrk n THR 225 Cb 0.47 0.00 0.76 0.00 -2.10 0.00 0.00 70.33 69.46 3hrk n THR 225 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hrk h SER 226 N 0.03 0.00 0.00 3.42 4.64 -1.98 -2.84 113.55 116.83 3hrk h SER 226 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hrk h SER 226 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hrk h SER 226 CO 0.02 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.31 3hrk n ASP 227 N -4.06 0.00 -0.28 4.97 4.64 -1.26 -0.29 116.55 120.26 3hrk n ASP 227 Ca 0.03 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.56 3hrk n ASP 227 Cb 0.36 0.00 0.57 0.00 -1.04 0.00 0.00 41.12 41.01 3hrk n ASP 227 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3hrk n LYS 228 N -1.93 1.37 0.22 -0.67 5.02 -1.07 -4.49 118.16 116.61 3hrk n LYS 228 Ca 0.00 -0.55 -0.12 0.00 -2.02 0.00 0.00 58.31 55.62 3hrk n LYS 228 Cb 0.00 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 3hrk n LYS 228 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hrk h PHE 229 N 1.21 -0.56 -0.63 2.13 3.57 -0.83 -2.57 116.94 119.27 3hrk h PHE 229 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3hrk h PHE 229 Cb 0.26 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.09 3hrk h PHE 229 CO 0.03 -0.25 0.12 0.00 -2.23 0.00 0.00 178.31 175.98 3hrk h ALA 230 N -0.84 0.74 -0.97 2.41 0.00 -1.79 0.25 119.26 119.07 3hrk h ALA 230 Ca -0.06 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.16 3hrk h ALA 230 Cb 0.55 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 3hrk h ALA 230 CO 0.10 -0.32 0.58 -1.35 0.00 0.00 0.00 179.25 178.26 3hrk h PRO 231 N 0.24 0.76 -0.85 0.00 0.11 -1.69 -1.15 132.00 129.43 3hrk h PRO 231 Ca 0.33 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 3hrk h PRO 231 Cb 0.52 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 3hrk h PRO 231 CO -0.44 0.50 0.40 0.28 -0.21 0.00 0.00 178.00 178.54 3hrk h VAL 232 N 0.78 1.26 -0.41 3.15 2.07 -0.12 -0.15 116.25 122.83 3hrk h VAL 232 Ca 0.54 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3hrk h VAL 232 Cb 0.76 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3hrk h VAL 232 CO -0.36 0.32 0.16 0.00 0.02 0.00 0.00 177.57 177.71 3hrk h VAL 234 N 0.59 1.26 0.75 0.00 2.07 -0.66 -2.71 116.25 117.54 3hrk h VAL 234 Ca 0.14 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3hrk h VAL 234 Cb 0.13 1.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hrk h VAL 234 CO -0.01 0.23 -0.36 0.40 0.02 0.00 0.00 177.57 177.85 3hrk h ILE 235 N -0.12 0.22 -0.16 4.57 2.04 -0.55 -3.15 117.51 120.37 3hrk h ILE 235 Ca 0.03 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3hrk h ILE 235 Cb 0.36 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3hrk h ILE 235 CO 0.01 0.01 0.16 0.58 0.00 0.00 0.00 178.15 178.91 3hrk h VAL 236 N -1.07 0.55 0.00 1.67 2.07 0.35 -0.41 116.25 119.40 3hrk h VAL 236 Ca -0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3hrk h VAL 236 Cb 0.78 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3hrk h VAL 236 CO 0.17 0.00 -0.09 -0.78 0.02 0.00 0.00 177.57 176.88 3hrk h ASP 237 N 0.00 0.00 0.37 0.57 3.58 -1.43 -2.74 116.42 116.77 3hrk h ASP 237 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3hrk h ASP 237 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3hrk h ASP 237 CO -0.00 0.09 0.00 0.29 -2.88 0.00 0.00 179.24 176.74 3hrk n LYS 238 N -4.28 0.23 -0.29 0.28 4.01 -0.16 -3.80 118.16 114.14 3hrk n LYS 238 Ca -0.03 0.13 -0.01 0.00 -0.51 0.00 0.00 58.31 57.89 3hrk n LYS 238 Cb 0.17 -1.50 0.12 0.00 -0.51 0.00 0.00 35.03 33.31 3hrk n LYS 238 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 3hrk h MET 239 N 0.00 0.90 0.38 1.97 2.86 -1.66 0.23 114.93 119.62 3hrk h MET 239 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hrk h MET 239 Cb 0.18 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3hrk h MET 239 CO 0.00 0.60 -0.41 0.93 1.06 0.00 0.00 176.91 179.09 3hrk h GLU 240 N 0.93 -0.79 -0.02 1.72 5.08 -1.84 -3.27 114.58 116.39 3hrk h GLU 240 Ca 0.34 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3hrk h GLU 240 Cb 0.11 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hrk h GLU 240 CO -0.15 -0.53 -0.21 1.57 -1.00 0.00 0.00 179.01 178.70 3hrk h LYS 241 N -0.82 0.03 -4.20 2.33 2.10 -1.42 -3.46 116.57 111.14 3hrk h LYS 241 Ca -0.03 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 3hrk h LYS 241 Cb 0.74 -0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.94 3hrk h LYS 241 CO -0.08 0.24 -0.41 0.96 -2.00 0.00 0.00 179.45 178.15 3hrk s ILE 242 N -4.57 0.00 0.65 0.07 -0.00 0.68 -5.13 121.20 112.90 3hrk s ILE 242 Ca -0.04 -1.75 -0.11 0.00 -0.00 0.00 0.00 60.65 58.75 3hrk s ILE 242 Cb 0.15 -2.36 -0.02 0.00 -0.00 0.00 0.00 42.46 40.24 3hrk s ILE 242 CO 0.71 -0.01 1.04 -2.16 -0.00 0.00 0.00 174.94 174.52 3hrk s PRO 243 N -4.10 3.27 0.29 0.37 0.04 -1.26 -4.49 135.00 129.13 3hrk s PRO 243 Ca 0.32 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 3hrk s PRO 243 Cb 0.04 -2.04 0.42 0.00 0.04 0.00 0.00 34.50 32.97 3hrk s PRO 243 CO 0.10 -0.83 1.95 0.00 0.04 0.00 0.00 177.00 178.26 3hrk h ARG 244 N -0.44 1.07 -0.12 4.56 -0.00 -1.97 -2.80 114.38 114.67 3hrk h ARG 244 Ca -0.44 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.98 58.89 3hrk h ARG 244 Cb 1.20 -0.23 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 3hrk h ARG 244 CO 0.59 0.74 -0.24 0.93 0.00 0.00 0.00 179.97 181.99 3hrk h GLU 245 N 1.10 0.21 0.02 0.04 3.07 -1.98 -1.03 114.58 116.01 3hrk h GLU 245 Ca 0.29 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 58.88 3hrk h GLU 245 Cb -0.07 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 3hrk h GLU 245 CO -0.06 0.45 -0.98 1.49 -1.40 0.00 0.00 179.01 178.51 3hrk h GLU 246 N 0.20 0.05 0.57 2.33 4.81 -1.89 -0.82 114.58 119.82 3hrk h GLU 246 Ca 0.03 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3hrk h GLU 246 Cb 0.54 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hrk h GLU 246 CO 0.04 0.98 -0.27 0.28 -0.73 0.00 0.00 179.01 179.31 3hrk h VAL 247 N 0.02 0.26 -0.82 0.32 2.07 -1.48 -2.48 116.25 114.14 3hrk h VAL 247 Ca -0.03 -0.38 0.23 0.00 0.82 0.00 0.00 66.70 67.35 3hrk h VAL 247 Cb 1.71 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3hrk h VAL 247 CO 0.13 0.04 0.59 -0.33 0.02 0.00 0.00 177.57 178.02 3hrk h GLU 248 N -1.05 0.04 -0.07 1.57 5.08 -1.21 -0.28 114.58 118.65 3hrk h GLU 248 Ca -0.08 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3hrk h GLU 248 Cb 0.65 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hrk h GLU 248 CO 0.13 0.02 -0.05 0.00 -1.00 0.00 0.00 179.01 178.12 3hrk h ALA 249 N 1.59 0.11 0.00 3.43 0.00 -1.08 -2.33 119.26 120.99 3hrk h ALA 249 Ca 0.39 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hrk h ALA 249 Cb 1.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3hrk h ALA 249 CO -0.02 -0.12 -0.23 1.96 0.00 0.00 0.00 179.25 180.84 3hrk h GLN 250 N -0.23 0.00 -0.02 0.00 4.20 -0.60 -0.68 115.11 117.78 3hrk h GLN 250 Ca 0.02 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.47 3hrk h GLN 250 Cb 0.51 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.31 3hrk h GLN 250 CO 0.01 0.23 -1.00 -0.07 -0.67 0.00 0.00 178.83 177.33 3hrk h LEU 251 N 0.00 0.86 -1.47 1.46 3.38 -1.30 -0.60 115.31 117.64 3hrk h LEU 251 Ca -0.00 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 3hrk h LEU 251 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hrk h LEU 251 CO 0.03 1.48 -0.00 0.00 0.09 0.00 0.00 178.44 180.04 3hrk h ALA 252 N 0.47 1.58 -0.14 1.53 0.00 -1.17 -2.27 119.26 119.26 3hrk h ALA 252 Ca -0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3hrk h ALA 252 Cb 1.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3hrk h ALA 252 CO 0.19 0.31 -0.46 0.28 0.00 0.00 0.00 179.25 179.58 3hrk h VAL 253 N 0.33 1.32 0.00 0.00 2.07 -0.86 -2.27 116.25 116.84 3hrk h VAL 253 Ca 0.08 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.95 3hrk h VAL 253 Cb 0.23 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3hrk h VAL 253 CO 0.01 0.50 0.00 -0.11 0.02 0.00 0.00 177.57 177.98 3hrk n LEU 254 N -3.99 0.00 0.00 2.57 7.94 -0.26 -4.83 117.00 118.43 3hrk n LEU 254 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3hrk n LEU 254 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3hrk n LEU 254 CO 0.44 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 3hrk n GLY 255 N 0.25 2.27 3.74 -3.96 0.00 -0.85 -5.06 105.19 101.58 3hrk n GLY 255 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3hrk n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrk s LEU 256 N 0.00 3.66 0.94 0.99 1.02 -0.95 -4.93 118.68 119.41 3hrk s LEU 256 Ca 0.00 2.67 -0.12 0.00 0.02 0.00 0.00 54.13 56.70 3hrk s LEU 256 Cb 0.00 -4.51 0.15 0.00 0.02 0.00 0.00 46.19 41.86 3hrk s LEU 256 CO 0.00 -1.86 1.09 -1.61 0.02 0.00 0.00 176.35 173.99 3hrk s GLU 257 N -3.23 0.90 0.17 1.70 8.01 -1.26 -4.23 118.70 120.75 3hrk s GLU 257 Ca 0.79 0.70 -0.09 0.00 0.01 0.00 0.00 54.97 56.38 3hrk s GLU 257 Cb -0.38 -1.78 0.03 0.00 -4.31 0.00 0.00 34.13 27.69 3hrk s GLU 257 CO 0.42 -2.46 1.53 -1.35 0.01 0.00 0.00 175.26 173.42 3hrk h PRO 258 N -1.70 0.91 -0.05 0.39 0.11 -1.98 -2.50 132.00 127.17 3hrk h PRO 258 Ca -0.52 -0.43 -0.09 0.00 0.11 0.00 0.00 66.00 65.07 3hrk h PRO 258 Cb 1.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3hrk h PRO 258 CO 0.56 1.08 -0.40 1.79 -0.21 0.00 0.00 178.00 180.82 3hrk h THR 259 N 0.76 1.30 0.02 -1.15 1.35 -1.99 0.18 112.91 113.38 3hrk h THR 259 Ca 0.08 -1.44 -0.23 0.00 -0.55 0.00 0.00 66.41 64.27 3hrk h THR 259 Cb 0.88 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3hrk h THR 259 CO 0.08 0.42 -0.98 1.62 -0.25 0.00 0.00 175.52 176.41 3hrk h VAL 260 N 0.09 1.40 -0.48 6.82 3.04 -1.96 -2.89 116.25 122.27 3hrk h VAL 260 Ca 0.01 -2.50 0.04 0.00 -1.01 0.00 0.00 66.70 63.24 3hrk h VAL 260 Cb 0.75 2.47 -0.04 0.00 -2.01 0.00 0.00 31.29 32.46 3hrk h VAL 260 CO 0.06 0.74 0.24 0.58 -1.01 0.00 0.00 177.57 178.18 3hrk h VAL 261 N 0.22 0.95 -0.03 1.51 2.07 -0.91 -2.48 116.25 117.58 3hrk h VAL 261 Ca -0.09 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3hrk h VAL 261 Cb 1.62 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3hrk h VAL 261 CO 0.17 0.09 -0.27 0.44 0.02 0.00 0.00 177.57 178.01 3hrk h ASP 262 N 0.47 -0.82 -0.80 0.57 3.32 -0.68 -1.60 116.42 116.87 3hrk h ASP 262 Ca 0.21 0.11 0.17 0.00 0.02 0.00 0.00 57.03 57.54 3hrk h ASP 262 Cb 0.13 0.34 -0.11 0.00 0.22 0.00 0.00 39.33 39.91 3hrk h ASP 262 CO -0.15 -0.34 0.32 0.00 -1.72 0.00 0.00 179.24 177.36 3hrk h ALA 263 N 0.43 1.17 0.44 3.45 0.00 -1.31 -0.07 119.26 123.36 3hrk h ALA 263 Ca 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hrk h ALA 263 Cb 0.50 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hrk h ALA 263 CO -0.26 -0.25 -0.21 0.82 0.00 0.00 0.00 179.25 179.35 3hrk h ILE 264 N 0.43 0.56 -0.79 0.00 2.04 -1.01 -0.12 117.51 118.63 3hrk h ILE 264 Ca 0.46 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 66.24 3hrk h ILE 264 Cb 0.76 0.67 -0.15 0.00 -0.74 0.00 0.00 36.82 37.36 3hrk h ILE 264 CO -0.45 0.04 -0.26 0.74 0.00 0.00 0.00 178.15 178.22 3hrk h THR 265 N -0.72 0.15 0.02 -0.27 2.02 -0.58 -0.40 112.91 113.13 3hrk h THR 265 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3hrk h THR 265 Cb 0.52 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3hrk h THR 265 CO 0.10 0.00 -0.03 0.74 0.37 0.00 0.00 175.52 176.69 3hrk h THR 266 N -0.04 0.92 -0.16 3.16 2.02 -0.77 -2.39 112.91 115.64 3hrk h THR 266 Ca 0.35 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.57 3hrk h THR 266 Cb 0.59 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3hrk h THR 266 CO -0.83 0.00 -0.10 0.71 0.37 0.00 0.00 175.52 175.67 3hrk h THR 267 N -0.07 0.70 -0.92 3.16 1.35 -0.12 -0.99 112.91 116.02 3hrk h THR 267 Ca 0.01 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.06 3hrk h THR 267 Cb 0.08 0.70 -0.07 0.00 -1.73 0.00 0.00 68.15 67.12 3hrk h THR 267 CO -0.02 0.00 0.60 -0.07 -0.25 0.00 0.00 175.52 175.77 3hrk h LEU 268 N -0.10 0.51 -0.28 3.87 4.07 -0.91 -0.51 115.31 121.96 3hrk h LEU 268 Ca 0.10 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3hrk h LEU 268 Cb 0.24 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3hrk h LEU 268 CO -0.22 0.21 -0.12 -1.54 -1.08 0.00 0.00 178.44 175.68 3hrk n SER 269 N -4.56 0.56 -4.66 -0.43 3.41 -0.43 -2.73 113.62 104.78 3hrk n SER 269 Ca 0.20 -0.65 -0.47 0.00 -0.26 0.00 0.00 58.87 57.69 3hrk n SER 269 Cb 0.64 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 3hrk n SER 269 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hrk n LEU 270 N -0.88 2.85 -0.04 1.04 4.77 -0.20 -4.91 117.00 119.63 3hrk n LEU 270 Ca 0.14 1.10 -0.13 0.00 -0.03 0.00 0.00 56.01 57.09 3hrk n LEU 270 Cb 0.29 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.87 3hrk n LEU 270 CO 0.24 -0.44 0.51 0.11 -1.33 0.00 0.00 177.39 176.48 3hrk h LYS 271 N 5.47 0.00 -4.56 3.23 1.79 -1.91 -3.35 116.57 117.24 3hrk h LYS 271 Ca -0.45 -0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 57.64 3hrk h LYS 271 Cb 1.27 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.81 3hrk h LYS 271 CO 0.85 0.74 -0.37 0.45 -1.08 0.00 0.00 179.45 180.05 3hrk s SER 272 N -5.96 1.28 0.06 0.86 0.15 -1.26 -4.79 113.70 104.04 3hrk s SER 272 Ca -0.17 -1.62 -0.24 0.00 0.70 0.00 0.00 55.95 54.61 3hrk s SER 272 Cb -0.01 0.59 -0.17 0.00 -1.71 0.00 0.00 66.02 64.73 3hrk s SER 272 CO 0.68 -1.15 1.60 0.40 1.20 0.00 0.00 173.24 175.97 3hrk h ILE 273 N 2.15 1.05 -0.96 6.45 5.03 -1.97 0.12 117.51 129.38 3hrk h ILE 273 Ca -0.27 -0.31 0.27 0.00 -0.12 0.00 0.00 64.86 64.43 3hrk h ILE 273 Cb 1.24 1.25 -0.17 0.00 -3.03 0.00 0.00 36.82 36.11 3hrk h ILE 273 CO 0.38 0.08 0.07 0.44 -0.68 0.00 0.00 178.15 178.44 3hrk h ASP 274 N -0.19 -0.38 -0.01 1.72 3.32 -2.00 0.30 116.42 119.18 3hrk h ASP 274 Ca -0.01 0.26 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3hrk h ASP 274 Cb 0.17 0.44 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3hrk h ASP 274 CO 0.01 -0.33 -0.49 -0.08 -1.72 0.00 0.00 179.24 176.64 3hrk h GLU 275 N 0.04 0.56 -0.17 3.56 4.81 -1.63 -2.93 114.58 118.83 3hrk h GLU 275 Ca 0.59 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3hrk h GLU 275 Cb 1.23 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 3hrk h GLU 275 CO -0.87 0.92 -0.21 0.82 -0.73 0.00 0.00 179.01 178.95 3hrk h ILE 276 N 0.45 0.47 -1.00 2.32 1.08 0.21 -1.77 117.51 119.26 3hrk h ILE 276 Ca 0.02 0.00 0.40 0.00 -0.39 0.00 0.00 64.86 64.89 3hrk h ILE 276 Cb 1.01 0.47 -0.17 0.00 -3.07 0.00 0.00 36.82 35.06 3hrk h ILE 276 CO 0.09 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 178.10 3hrk h ALA 277 N 0.78 2.12 0.00 1.87 0.00 -1.06 -0.34 119.26 122.62 3hrk h ALA 277 Ca 0.11 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hrk h ALA 277 Cb 0.42 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hrk h ALA 277 CO -0.31 -0.86 0.00 1.96 0.00 0.00 0.00 179.25 180.03 3hrk h GLN 278 N 0.08 0.00 0.00 0.00 4.20 -1.33 1.70 115.11 119.77 3hrk h GLN 278 Ca 0.82 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.53 3hrk h GLN 278 Cb 2.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.88 3hrk h GLN 278 CO -0.73 0.00 -1.20 0.54 -0.67 0.00 0.00 178.83 176.77 3hrk n ARG 279 N -2.91 0.36 0.00 1.46 1.74 -0.18 -4.65 116.66 112.49 3hrk n ARG 279 Ca 0.04 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3hrk n ARG 279 Cb 0.50 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3hrk n ARG 279 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3hrk n VAL 280 N -2.05 0.00 -0.00 1.55 0.24 -0.96 -5.08 118.33 112.03 3hrk n VAL 280 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3hrk n VAL 280 Cb 0.46 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 3hrk n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrk n GLY 281 N 0.00 -2.98 0.25 7.63 0.00 0.58 -4.68 105.19 105.99 3hrk n GLY 281 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 44.88 3hrk n GLY 281 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hrk h GLU 282 N 0.00 0.24 -6.18 1.61 4.57 -1.92 -3.32 114.58 109.58 3hrk h GLU 282 Ca 0.00 -0.05 -0.58 0.00 -1.18 0.00 0.00 59.36 57.56 3hrk h GLU 282 Cb 0.00 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.46 3hrk h GLU 282 CO 0.00 0.33 1.31 -1.21 -1.18 0.00 0.00 179.01 178.26 3hrk s GLU 283 N -4.84 3.43 -0.26 1.92 0.41 -1.26 -4.42 118.70 113.67 3hrk s GLU 283 Ca -0.06 -0.78 -0.27 0.00 -0.41 0.00 0.00 54.97 53.45 3hrk s GLU 283 Cb 0.16 -4.88 0.16 0.00 -1.78 0.00 0.00 34.13 27.78 3hrk s GLU 283 CO 0.73 -2.18 1.21 -1.58 -0.49 0.00 0.00 175.26 172.95 3hrk s HIS 284 N 5.23 -0.25 0.06 1.61 2.46 -1.25 -5.06 115.29 118.09 3hrk s HIS 284 Ca 0.41 0.56 -0.38 0.00 0.47 0.00 0.00 55.06 56.12 3hrk s HIS 284 Cb -0.03 0.44 -0.21 0.00 -0.13 0.00 0.00 32.58 32.65 3hrk s HIS 284 CO 0.00 -0.16 1.55 1.05 -2.47 0.00 0.00 174.74 174.72 3hrk h GLU 285 N 3.20 -1.30 -0.92 2.88 4.11 -1.92 -2.39 114.58 118.24 3hrk h GLU 285 Ca -0.23 0.09 0.26 0.00 0.07 0.00 0.00 59.36 59.55 3hrk h GLU 285 Cb 1.18 0.30 -0.14 0.00 0.50 0.00 0.00 28.75 30.58 3hrk h GLU 285 CO 0.19 -0.87 0.34 0.00 0.07 0.00 0.00 179.01 178.74 3hrk h ALA 286 N -1.36 1.48 0.38 1.06 0.00 -1.97 0.34 119.26 119.19 3hrk h ALA 286 Ca -0.14 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hrk h ALA 286 Cb 1.03 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hrk h ALA 286 CO 0.23 -0.49 -0.18 0.28 0.00 0.00 0.00 179.25 179.09 3hrk h VAL 287 N 0.25 0.56 0.00 0.00 2.07 -1.81 -2.31 116.25 115.01 3hrk h VAL 287 Ca 0.61 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3hrk h VAL 287 Cb 1.27 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3hrk h VAL 287 CO -0.64 0.09 -0.42 0.07 0.02 0.00 0.00 177.57 176.69 3hrk h LYS 288 N -0.84 0.00 -0.35 1.57 2.10 -0.90 -2.17 116.57 115.98 3hrk h LYS 288 Ca -0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 3hrk h LYS 288 Cb 0.54 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 3hrk h LYS 288 CO 0.09 0.42 0.13 0.93 -2.00 0.00 0.00 179.45 179.02 3hrk h GLU 289 N 0.00 0.53 -0.46 0.07 5.08 -0.95 -1.53 114.58 117.31 3hrk h GLU 289 Ca -0.00 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hrk h GLU 289 Cb 0.80 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3hrk h GLU 289 CO 0.06 0.53 0.08 -0.07 -1.00 0.00 0.00 179.01 178.60 3hrk h LEU 290 N 0.41 0.73 -0.98 1.33 3.38 -1.05 -0.92 115.31 118.21 3hrk h LEU 290 Ca 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hrk h LEU 290 Cb 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3hrk h LEU 290 CO -0.01 0.80 0.48 0.03 0.09 0.00 0.00 178.44 179.83 3hrk h ARG 291 N 0.63 1.19 0.02 1.13 3.08 -1.24 0.10 114.38 119.29 3hrk h ARG 291 Ca 0.14 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hrk h ARG 291 Cb 0.37 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hrk h ARG 291 CO 0.01 0.87 -0.01 1.96 -1.07 0.00 0.00 179.97 181.72 3hrk h GLN 292 N 1.20 -0.03 -0.48 0.04 4.20 -1.18 -0.71 115.11 118.15 3hrk h GLN 292 Ca 0.30 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.11 3hrk h GLN 292 Cb 0.01 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.70 3hrk h GLN 292 CO -0.05 0.23 -0.27 0.35 -0.67 0.00 0.00 178.83 178.42 3hrk h PHE 293 N -0.28 -0.70 -0.35 2.96 3.57 -0.34 0.11 116.94 121.91 3hrk h PHE 293 Ca -0.00 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3hrk h PHE 293 Cb 0.26 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3hrk h PHE 293 CO 0.01 -0.34 -0.19 0.74 -2.23 0.00 0.00 178.31 176.30 3hrk h PHE 294 N -0.16 0.72 -0.02 0.41 0.04 -0.79 -1.83 116.94 115.31 3hrk h PHE 294 Ca 0.22 -0.14 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 3hrk h PHE 294 Cb 0.50 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3hrk h PHE 294 CO -0.53 0.79 -0.60 1.05 -0.60 0.00 0.00 178.31 178.42 3hrk h GLU 295 N 0.58 0.06 0.05 1.51 4.11 -0.23 -2.38 114.58 118.27 3hrk h GLU 295 Ca 0.09 -0.04 -0.26 0.00 0.07 0.00 0.00 59.36 59.21 3hrk h GLU 295 Cb 0.64 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.92 3hrk h GLU 295 CO 0.05 0.64 -1.09 1.96 0.07 0.00 0.00 179.01 180.64 3hrk h GLN 296 N 0.04 0.55 -0.52 1.06 4.20 -0.50 -1.76 115.11 118.18 3hrk h GLN 296 Ca -0.01 -0.65 -0.09 0.00 0.06 0.00 0.00 58.65 57.96 3hrk h GLN 296 Cb 1.08 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 3hrk h GLN 296 CO 0.08 1.26 -0.02 0.28 -0.67 0.00 0.00 178.83 179.76 3hrk h VAL 297 N 0.28 1.27 -0.88 -0.54 2.07 -1.36 -1.06 116.25 116.03 3hrk h VAL 297 Ca -0.13 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.32 3hrk h VAL 297 Cb 1.75 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 3hrk h VAL 297 CO 0.20 0.40 0.55 -0.33 0.02 0.00 0.00 177.57 178.41 3hrk h GLU 298 N 0.81 0.96 -0.31 1.57 5.08 -1.37 -0.03 114.58 121.28 3hrk h GLU 298 Ca 0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3hrk h GLU 298 Cb 0.56 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3hrk h GLU 298 CO 0.03 0.63 0.17 0.00 -1.00 0.00 0.00 179.01 178.85 3hrk h ALA 299 N 1.42 0.40 0.00 3.43 0.00 -1.02 -2.54 119.26 120.94 3hrk h ALA 299 Ca 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hrk h ALA 299 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hrk h ALA 299 CO -0.18 -0.07 -0.11 -0.92 0.00 0.00 0.00 179.25 177.97 3hrk h TYR 300 N 0.39 0.00 0.00 0.00 5.03 -0.37 -3.46 116.97 118.56 3hrk h TYR 300 Ca 0.11 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.42 3hrk h TYR 300 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.34 3hrk h TYR 300 CO -0.03 0.11 0.00 0.41 -1.32 0.00 0.00 178.16 177.33 3hrk n GLY 301 N -0.62 1.59 2.57 1.82 0.00 -0.10 -5.01 105.19 105.44 3hrk n GLY 301 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3hrk n GLY 301 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hrk n TYR 302 N -1.30 3.29 0.11 1.61 4.01 -0.91 -4.87 117.16 119.11 3hrk n TYR 302 Ca 0.00 -2.90 -0.13 0.00 -0.16 0.00 0.00 57.90 54.71 3hrk n TYR 302 Cb 0.00 -0.38 -0.08 0.00 -0.31 0.00 0.00 39.34 38.58 3hrk n TYR 302 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3hrk h GLY 303 N 2.67 -0.22 2.00 2.72 0.00 -1.81 -2.98 103.07 105.45 3hrk h GLY 303 Ca 0.37 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3hrk h GLY 303 CO 1.00 -0.08 0.00 1.22 0.00 0.00 0.00 176.54 178.68 3hrk n ASP 304 N -5.16 0.60 0.07 0.19 8.00 -1.26 -3.25 116.55 115.74 3hrk n ASP 304 Ca -0.09 0.64 -0.09 0.00 0.71 0.00 0.00 54.79 55.96 3hrk n ASP 304 Cb 0.13 -0.77 0.01 0.00 -0.02 0.00 0.00 41.12 40.47 3hrk n ASP 304 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 3hrk h TRP 305 N 0.00 0.42 -1.87 1.24 4.06 -1.86 -3.47 115.95 114.48 3hrk h TRP 305 Ca 0.00 -0.21 -0.51 0.00 2.06 0.00 0.00 58.89 60.23 3hrk h TRP 305 Cb 0.37 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.43 3hrk h TRP 305 CO 0.00 0.99 -0.48 0.14 -3.56 0.00 0.00 178.44 175.53 3hrk s VAL 306 N -3.39 3.37 -0.01 1.49 -7.23 -1.20 -1.03 120.40 112.40 3hrk s VAL 306 Ca -0.04 -1.48 -0.28 0.00 -1.81 0.00 0.00 61.98 58.36 3hrk s VAL 306 Cb 0.10 -3.12 0.10 0.00 0.56 0.00 0.00 36.38 34.02 3hrk s VAL 306 CO 0.83 -0.18 0.82 -1.48 -0.31 0.00 0.00 175.10 174.78 3hrk s LEU 307 N -3.94 -0.46 0.15 1.32 0.05 -0.84 -4.88 118.68 110.08 3hrk s LEU 307 Ca 0.40 0.20 -0.28 0.00 0.05 0.00 0.00 54.13 54.50 3hrk s LEU 307 Cb -0.05 2.19 -0.07 0.00 -2.05 0.00 0.00 46.19 46.21 3hrk s LEU 307 CO 0.25 -0.63 0.87 0.12 -0.55 0.00 0.00 176.35 176.41 3hrk s PHE 308 N -2.50 3.87 -0.24 3.48 5.36 -1.26 -1.00 117.98 125.69 3hrk s PHE 308 Ca 0.00 1.73 -0.03 0.00 -0.96 0.00 0.00 56.93 57.67 3hrk s PHE 308 Cb -0.01 -2.92 0.10 0.00 -0.34 0.00 0.00 43.02 39.86 3hrk s PHE 308 CO -0.04 0.37 0.21 0.34 -1.46 0.00 0.00 175.22 174.63 3hrk s ASP 309 N -0.63 1.92 0.54 6.13 -1.08 -0.78 -4.83 116.67 117.94 3hrk s ASP 309 Ca 0.41 -0.58 0.35 0.00 -0.52 0.00 0.00 52.55 52.21 3hrk s ASP 309 Cb -0.23 0.23 1.91 0.00 -1.46 0.00 0.00 42.92 43.37 3hrk s ASP 309 CO 0.28 -0.36 2.08 0.00 0.52 0.00 0.00 175.17 177.68 3hrk h ALA 310 N 8.33 1.02 0.00 3.66 0.00 -1.75 -2.66 119.26 127.85 3hrk h ALA 310 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3hrk h ALA 310 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hrk h ALA 310 CO 0.32 -0.02 -0.31 0.66 0.00 0.00 0.00 179.25 179.91 3hrk h SER 311 N 0.00 0.00 -3.04 0.00 4.64 -1.84 -3.41 113.55 109.90 3hrk h SER 311 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hrk h SER 311 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hrk h SER 311 CO 0.00 0.31 0.71 -0.69 -0.87 0.00 0.00 176.83 176.29 3hrk s VAL 312 N -3.27 3.88 0.00 0.95 1.01 -1.00 -4.85 120.40 117.12 3hrk s VAL 312 Ca 0.03 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3hrk s VAL 312 Cb 0.08 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3hrk s VAL 312 CO 0.69 0.04 0.00 1.33 0.00 0.00 0.00 175.10 177.16 3hrk n VAL 313 N 4.35 0.00 0.00 2.92 0.24 -1.26 -4.76 118.33 119.82 3hrk n VAL 313 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3hrk n VAL 313 Cb 0.45 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 3hrk n VAL 313 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hrk n ARG 314 N -0.62 0.00 -0.42 7.34 5.12 -1.26 -4.84 116.66 121.99 3hrk n ARG 314 Ca 0.00 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 3hrk n ARG 314 Cb 0.06 0.00 0.31 0.00 -1.16 0.00 0.00 32.46 31.66 3hrk n ARG 314 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hrk n GLY 315 N -1.26 2.66 3.26 -0.13 0.00 -1.26 -4.62 105.19 103.84 3hrk n GLY 315 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3hrk n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrk s LEU 316 N -1.29 2.35 0.00 0.99 1.43 -1.26 -4.81 118.68 116.09 3hrk s LEU 316 Ca 0.46 -0.49 0.15 0.00 -1.03 0.00 0.00 54.13 53.22 3hrk s LEU 316 Cb 0.26 -1.51 0.85 0.00 0.03 0.00 0.00 46.19 45.82 3hrk s LEU 316 CO 0.28 0.12 1.55 0.00 0.23 0.00 0.00 176.35 178.53 3hrk n ALA 317 N 3.80 2.58 0.93 4.21 0.00 -1.26 -3.45 120.51 127.31 3hrk n ALA 317 Ca -0.19 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.22 3hrk n ALA 317 Cb 0.52 -1.22 0.11 0.00 0.00 0.00 0.00 19.45 18.87 3hrk n ALA 317 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3hrk n TYR 318 N -0.59 0.04 -2.34 0.00 0.18 -1.26 -4.92 117.16 108.28 3hrk n TYR 318 Ca 0.12 -0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.47 3hrk n TYR 318 Cb 0.09 -0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.01 3hrk n TYR 318 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3hrk s TYR 319 N -1.95 3.38 -0.09 -3.48 4.12 -1.22 -4.52 117.35 113.59 3hrk s TYR 319 Ca 0.29 1.56 0.05 0.00 0.02 0.00 0.00 57.07 58.99 3hrk s TYR 319 Cb 0.20 -3.44 -0.09 0.00 -1.52 0.00 0.00 41.96 37.11 3hrk s TYR 319 CO 0.30 -1.08 -0.01 0.25 0.02 0.00 0.00 175.55 175.02 3hrk n THR 320 N 1.26 0.58 0.00 -0.71 -2.24 0.65 -4.95 114.28 108.86 3hrk n THR 320 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3hrk n THR 320 Cb 0.44 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3hrk n THR 320 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrk n GLY 321 N 2.65 2.62 3.77 3.38 0.00 -1.19 -4.22 105.19 112.21 3hrk n GLY 321 Ca -0.15 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3hrk n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrk s ILE 322 N 2.17 3.18 0.00 -0.61 1.01 -1.26 0.42 121.20 126.11 3hrk s ILE 322 Ca 0.00 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.57 3hrk s ILE 322 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3hrk s ILE 322 CO 0.00 0.10 0.15 0.68 0.00 0.00 0.00 174.94 175.88 3hrk s VAL 323 N -1.40 0.08 0.13 2.92 -7.23 0.13 -0.36 120.40 114.67 3hrk s VAL 323 Ca 0.56 -0.66 -0.14 0.00 -1.81 0.00 0.00 61.98 59.93 3hrk s VAL 323 Cb -0.31 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.21 3hrk s VAL 323 CO 0.39 -0.36 0.36 0.72 -0.31 0.00 0.00 175.10 175.90 3hrk s PHE 324 N -1.36 -0.03 -0.14 2.82 -0.12 -0.68 -1.48 117.98 116.99 3hrk s PHE 324 Ca -0.14 -0.32 -0.07 0.00 -0.05 0.00 0.00 56.93 56.34 3hrk s PHE 324 Cb -0.07 0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.54 3hrk s PHE 324 CO 0.02 -0.71 0.34 -2.00 -0.05 0.00 0.00 175.22 172.82 3hrk s GLU 325 N -3.85 0.31 0.05 1.99 2.12 -0.94 -1.64 118.70 116.73 3hrk s GLU 325 Ca 0.06 0.68 -0.22 0.00 0.36 0.00 0.00 54.97 55.85 3hrk s GLU 325 Cb 0.02 -0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.29 3hrk s GLU 325 CO -0.09 -0.16 0.67 0.20 -0.54 0.00 0.00 175.26 175.34 3hrk s GLY 326 N 1.37 2.72 0.05 -1.50 0.00 0.12 -1.19 107.32 108.88 3hrk s GLY 326 Ca -0.09 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.73 3hrk s GLY 326 CO -0.11 0.82 0.07 -0.11 0.00 0.00 0.00 173.10 173.77 3hrk s PHE 327 N -0.45 0.27 -0.07 1.90 -0.12 0.55 -0.48 117.98 119.58 3hrk s PHE 327 Ca 0.33 -0.64 -0.21 0.00 -0.05 0.00 0.00 56.93 56.37 3hrk s PHE 327 Cb -0.20 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 3hrk s PHE 327 CO 0.20 -0.38 0.60 0.16 -0.05 0.00 0.00 175.22 175.76 3hrk s ASP 328 N -2.36 6.88 0.38 1.98 -4.77 -1.26 0.42 116.67 117.94 3hrk s ASP 328 Ca -0.02 1.06 0.11 0.00 -3.30 0.00 0.00 52.55 50.40 3hrk s ASP 328 Cb 0.01 -2.36 0.88 0.00 -1.09 0.00 0.00 42.92 40.36 3hrk s ASP 328 CO -0.06 -0.03 1.90 0.03 0.70 0.00 0.00 175.17 177.70 3hrk h ARG 329 N 6.51 0.60 0.00 2.11 2.47 -1.14 0.29 114.38 125.22 3hrk h ARG 329 Ca -0.42 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.25 3hrk h ARG 329 Cb 1.19 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.37 3hrk h ARG 329 CO 0.74 0.40 -0.08 0.93 0.56 0.00 0.00 179.97 182.52 3hrk h GLU 330 N 0.62 0.00 -3.02 0.04 5.08 -1.91 -3.47 114.58 111.92 3hrk h GLU 330 Ca 0.40 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 3hrk h GLU 330 Cb 0.69 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.99 3hrk h GLU 330 CO -0.16 0.08 -0.23 0.41 -1.00 0.00 0.00 179.01 178.11 3hrk n GLY 331 N -0.57 0.24 0.13 -3.84 0.00 0.10 -4.99 105.19 96.26 3hrk n GLY 331 Ca -0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 3hrk n GLY 331 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrk n LYS 332 N -1.95 0.69 -4.46 1.61 5.02 -1.26 -5.04 118.16 112.77 3hrk n LYS 332 Ca -0.07 0.21 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 3hrk n LYS 332 Cb 0.55 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 3hrk n LYS 332 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3hrk s PHE 333 N -2.53 2.18 1.16 2.13 0.40 -1.26 -5.13 117.98 114.93 3hrk s PHE 333 Ca -0.30 -0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 55.43 3hrk s PHE 333 Cb 0.08 -1.03 0.23 0.00 0.51 0.00 0.00 43.02 42.81 3hrk s PHE 333 CO 0.66 0.60 0.49 0.54 0.70 0.00 0.00 175.22 178.21 3hrk n ARG 334 N -0.60 -2.98 -1.85 0.44 5.12 -1.26 -4.76 116.66 110.77 3hrk n ARG 334 Ca -0.06 -0.88 -0.42 0.00 -1.93 0.00 0.00 57.85 54.57 3hrk n ARG 334 Cb 0.61 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 3hrk n ARG 334 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hrk s ALA 335 N -2.11 3.81 0.15 7.54 0.00 -1.26 -4.83 121.76 125.05 3hrk s ALA 335 Ca 0.48 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 3hrk s ALA 335 Cb -0.09 -3.67 0.05 0.00 0.00 0.00 0.00 23.12 19.40 3hrk s ALA 335 CO 0.44 -0.93 1.69 -0.07 0.00 0.00 0.00 175.76 176.90 3hrk h LEU 336 N 7.30 -0.22 -7.35 0.00 3.38 -1.09 -3.47 115.31 113.86 3hrk h LEU 336 Ca -0.43 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 3hrk h LEU 336 Cb 1.20 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 42.00 3hrk h LEU 336 CO 0.93 -0.07 0.05 0.00 0.09 0.00 0.00 178.44 179.44 3hrk s GLY 338 N -2.81 -0.54 0.00 0.00 0.00 -0.57 0.12 107.32 103.53 3hrk s GLY 338 Ca 0.04 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.06 3hrk s GLY 338 CO -0.10 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.58 3hrk n GLY 339 N 1.13 2.10 0.00 0.20 0.00 -0.65 -1.37 105.19 106.59 3hrk n GLY 339 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3hrk n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrk n GLY 340 N 0.00 -0.33 3.80 -0.02 0.00 -0.90 -1.68 105.19 106.06 3hrk n GLY 340 Ca 0.00 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3hrk n GLY 340 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hrk s ARG 341 N -1.73 4.28 -0.43 1.61 3.52 0.51 -2.51 118.95 124.20 3hrk s ARG 341 Ca 0.00 0.82 0.05 0.00 -0.13 0.00 0.00 55.73 56.47 3hrk s ARG 341 Cb 0.00 -3.25 0.19 0.00 -1.56 0.00 0.00 34.95 30.33 3hrk s ARG 341 CO 0.00 0.61 0.40 2.48 -0.81 0.00 0.00 175.30 177.99 3hrk n TYR 342 N 1.74 -0.42 0.05 5.12 0.18 0.11 -0.25 117.16 123.68 3hrk n TYR 342 Ca -0.09 -3.45 -0.06 0.00 1.88 0.00 0.00 57.90 56.18 3hrk n TYR 342 Cb 0.50 0.04 0.12 0.00 -0.38 0.00 0.00 39.34 39.63 3hrk n TYR 342 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3hrk h ASP 343 N 5.19 0.43 1.14 9.48 3.32 -1.81 -3.29 116.42 130.88 3hrk h ASP 343 Ca 0.21 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hrk h ASP 343 Cb 0.89 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3hrk h ASP 343 CO 0.43 0.87 -0.59 0.78 -1.72 0.00 0.00 179.24 179.00 3hrk h ASN 344 N 0.31 0.00 -0.89 6.45 2.35 -1.86 -3.34 115.58 118.60 3hrk h ASN 344 Ca 0.01 -0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.77 3hrk h ASN 344 Cb 1.00 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.30 3hrk h ASN 344 CO 0.09 0.05 0.53 0.25 -1.65 0.00 0.00 177.43 176.70 3hrk h LEU 345 N 0.00 0.78 -1.24 1.61 5.85 -1.83 -0.88 115.31 119.59 3hrk h LEU 345 Ca 0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3hrk h LEU 345 Cb 0.86 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3hrk h LEU 345 CO 0.00 0.43 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.09 3hrk h LEU 346 N 0.88 0.00 -0.41 2.25 4.07 -1.82 -1.44 115.31 118.83 3hrk h LEU 346 Ca 0.43 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.27 3hrk h LEU 346 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 3hrk h LEU 346 CO -0.25 0.38 -0.21 0.74 -1.08 0.00 0.00 178.44 178.02 3hrk h THR 347 N 0.00 1.28 -0.71 0.22 2.02 -1.45 -0.06 112.91 114.21 3hrk h THR 347 Ca -0.00 -1.35 0.07 0.00 0.77 0.00 0.00 66.41 65.89 3hrk h THR 347 Cb 0.68 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3hrk h THR 347 CO 0.05 0.45 0.47 0.74 0.37 0.00 0.00 175.52 177.60 3hrk h THR 348 N 0.69 1.01 -0.00 3.16 2.02 -0.46 0.15 112.91 119.47 3hrk h THR 348 Ca 0.09 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3hrk h THR 348 Cb 0.77 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3hrk h THR 348 CO 0.06 0.13 -0.20 -1.22 0.37 0.00 0.00 175.52 174.67 3hrk n TYR 349 N -4.48 0.00 0.00 3.16 4.01 -0.81 -4.94 117.16 114.10 3hrk n TYR 349 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3hrk n TYR 349 Cb 0.24 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3hrk n TYR 349 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hrk n GLY 350 N 1.41 1.78 3.69 2.72 0.00 0.53 -5.09 105.19 110.23 3hrk n GLY 350 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3hrk n GLY 350 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hrk s SER 351 N -2.00 6.98 0.00 1.61 0.15 -0.07 -4.88 113.70 115.48 3hrk s SER 351 Ca 0.00 1.97 0.03 0.00 0.70 0.00 0.00 55.95 58.65 3hrk s SER 351 Cb 0.00 -2.56 0.17 0.00 -1.71 0.00 0.00 66.02 61.92 3hrk s SER 351 CO 0.00 -0.62 0.89 -0.81 1.20 0.00 0.00 173.24 173.91 3hrk n PRO 352 N 5.01 0.05 -3.68 5.44 -0.04 -1.26 -4.27 135.00 136.25 3hrk n PRO 352 Ca 0.11 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 3hrk n PRO 352 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3hrk n PRO 352 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3hrk s THR 353 N -2.50 -0.15 0.35 0.52 -1.32 -1.26 -5.15 115.64 106.13 3hrk s THR 353 Ca 0.03 0.10 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 3hrk s THR 353 Cb 0.02 -0.67 -0.11 0.00 -1.51 0.00 0.00 72.50 70.23 3hrk s THR 353 CO 0.05 0.04 1.51 -2.16 -2.21 0.00 0.00 174.62 171.85 3hrk s PRO 354 N 1.66 4.12 -0.23 7.08 0.04 -1.26 -4.87 135.00 141.55 3hrk s PRO 354 Ca -0.08 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3hrk s PRO 354 Cb -0.09 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.52 3hrk s PRO 354 CO -0.14 -0.55 -0.05 0.42 0.04 0.00 0.00 177.00 176.73 3hrk s ILE 355 N -0.79 1.44 0.36 0.56 1.01 -1.25 -5.03 121.20 117.50 3hrk s ILE 355 Ca 0.56 -1.16 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 3hrk s ILE 355 Cb -0.47 -1.73 -0.11 0.00 0.01 0.00 0.00 42.46 40.17 3hrk s ILE 355 CO 0.58 -0.11 1.51 -2.16 0.00 0.00 0.00 174.94 174.77 3hrk s PRO 356 N 1.44 4.10 0.01 2.79 0.04 -1.26 -4.69 135.00 137.43 3hrk s PRO 356 Ca -0.05 2.59 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 3hrk s PRO 356 Cb -0.19 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 3hrk s PRO 356 CO -0.06 -0.56 0.03 0.00 0.04 0.00 0.00 177.00 176.45 3hrk s ALA 358 N -1.30 0.14 0.00 0.00 0.00 -0.32 0.08 121.76 120.36 3hrk s ALA 358 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3hrk s ALA 358 Cb -0.08 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3hrk s ALA 358 CO -0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3hrk n GLY 359 N 0.59 1.64 3.21 0.00 0.00 -1.04 -0.37 105.19 109.21 3hrk n GLY 359 Ca -0.18 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 3hrk n GLY 359 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hrk s PHE 360 N -2.00 1.06 0.10 1.61 -0.12 0.33 -2.11 117.98 116.85 3hrk s PHE 360 Ca 0.00 -1.02 0.08 0.00 -0.05 0.00 0.00 56.93 55.94 3hrk s PHE 360 Cb 0.00 -0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 3hrk s PHE 360 CO 0.00 -0.24 -0.14 0.20 -0.05 0.00 0.00 175.22 174.99 3hrk s GLY 361 N -3.12 1.73 -0.26 1.99 0.00 -0.47 -2.03 107.32 105.16 3hrk s GLY 361 Ca 0.20 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 3hrk s GLY 361 CO 0.01 -1.23 0.13 -0.12 0.00 0.00 0.00 173.10 171.89 3hrk s PHE 362 N -1.14 0.23 0.79 1.90 5.99 -0.57 -1.51 117.98 123.66 3hrk s PHE 362 Ca 0.19 -0.66 -0.11 0.00 0.00 0.00 0.00 56.93 56.35 3hrk s PHE 362 Cb -0.11 -0.80 0.07 0.00 0.00 0.00 0.00 43.02 42.18 3hrk s PHE 362 CO 0.11 -0.74 1.12 0.20 -0.00 0.00 0.00 175.22 175.91 3hrk s GLY 363 N 2.13 1.80 0.00 13.12 0.00 -1.18 -0.94 107.32 122.26 3hrk s GLY 363 Ca 0.07 0.44 0.23 0.00 0.00 0.00 0.00 44.72 45.46 3hrk s GLY 363 CO -0.28 0.81 1.37 2.09 0.00 0.00 0.00 173.10 177.09 3hrk n ASP 364 N -3.49 3.40 -0.01 1.64 5.75 -0.80 -4.44 116.55 118.60 3hrk n ASP 364 Ca 0.10 -1.98 -0.01 0.00 -0.01 0.00 0.00 54.79 52.89 3hrk n ASP 364 Cb 0.52 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3hrk n ASP 364 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hrk h VAL 366 N -0.11 0.16 -0.97 0.00 2.07 -1.84 -0.07 116.25 115.48 3hrk h VAL 366 Ca 0.00 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.81 3hrk h VAL 366 Cb 0.11 0.16 -0.14 0.00 -1.52 0.00 0.00 31.29 29.89 3hrk h VAL 366 CO 0.00 0.00 0.50 -0.29 0.02 0.00 0.00 177.57 177.80 3hrk h ILE 367 N -0.30 0.33 -0.27 4.57 6.09 -1.83 0.22 117.51 126.32 3hrk h ILE 367 Ca 0.15 -0.11 -0.14 0.00 -1.37 0.00 0.00 64.86 63.39 3hrk h ILE 367 Cb 0.57 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 37.83 3hrk h ILE 367 CO -0.56 0.06 -0.38 0.58 -3.07 0.00 0.00 178.15 174.78 3hrk h VAL 368 N 0.33 1.30 -1.01 2.19 2.07 -1.22 -1.43 116.25 118.48 3hrk h VAL 368 Ca 0.68 -1.57 0.22 0.00 0.82 0.00 0.00 66.70 66.85 3hrk h VAL 368 Cb 1.49 1.65 -0.11 0.00 -1.52 0.00 0.00 31.29 32.79 3hrk h VAL 368 CO -0.60 0.50 0.61 -0.33 0.02 0.00 0.00 177.57 177.77 3hrk h GLU 369 N 0.48 0.63 -0.01 1.57 5.08 0.15 0.48 114.58 122.96 3hrk h GLU 369 Ca 0.03 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3hrk h GLU 369 Cb 0.97 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.09 3hrk h GLU 369 CO 0.09 0.42 -0.62 1.25 -1.00 0.00 0.00 179.01 179.14 3hrk h LEU 370 N 0.65 0.57 -0.90 1.33 5.85 -0.91 -1.85 115.31 120.04 3hrk h LEU 370 Ca 0.61 -0.74 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3hrk h LEU 370 Cb 1.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hrk h LEU 370 CO -0.41 1.24 0.09 -0.07 -0.34 0.00 0.00 178.44 178.95 3hrk h LEU 371 N -0.04 0.86 -1.03 2.25 3.38 -0.66 -0.68 115.31 119.39 3hrk h LEU 371 Ca -0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3hrk h LEU 371 Cb 1.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hrk h LEU 371 CO 0.12 0.86 -0.33 1.56 0.09 0.00 0.00 178.44 180.75 3hrk h GLN 372 N 0.86 0.28 0.00 1.13 4.20 -0.93 0.33 115.11 120.97 3hrk h GLN 372 Ca 0.18 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3hrk h GLN 372 Cb 0.37 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3hrk h GLN 372 CO 0.01 0.59 -0.45 1.49 -0.67 0.00 0.00 178.83 179.79 3hrk h GLU 373 N 0.25 0.00 -0.65 1.46 4.81 -0.73 -2.98 114.58 116.73 3hrk h GLU 373 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3hrk h GLU 373 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3hrk h GLU 373 CO 0.05 0.45 0.00 1.63 -0.73 0.00 0.00 179.01 180.41 3hrk n LYS 374 N -3.47 3.22 -4.05 1.92 4.76 -0.32 -4.96 118.16 115.26 3hrk n LYS 374 Ca 0.00 -2.55 -0.29 0.00 -2.87 0.00 0.00 58.31 52.60 3hrk n LYS 374 Cb 0.59 -1.75 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3hrk n LYS 374 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hrk n ARG 375 N 1.15 -3.14 -0.19 1.97 1.74 -0.68 -4.87 116.66 112.64 3hrk n ARG 375 Ca 0.23 0.38 0.06 0.00 -0.77 0.00 0.00 57.85 57.75 3hrk n ARG 375 Cb 0.75 -4.62 0.16 0.00 -1.02 0.00 0.00 32.46 27.73 3hrk n ARG 375 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hrk n LEU 376 N -4.42 2.99 -3.03 0.55 4.77 0.11 -4.63 117.00 113.33 3hrk n LEU 376 Ca -0.21 -1.99 -0.26 0.00 -0.03 0.00 0.00 56.01 53.52 3hrk n LEU 376 Cb 0.63 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3hrk n LEU 376 CO 0.79 0.75 0.10 0.18 -1.33 0.00 0.00 177.39 177.88 3hrk n LEU 377 N 0.59 4.04 -4.72 2.23 4.77 -1.24 -4.94 117.00 117.73 3hrk n LEU 377 Ca 0.12 -5.59 -0.42 0.00 -0.03 0.00 0.00 56.01 50.10 3hrk n LEU 377 Cb 0.44 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3hrk n LEU 377 CO 0.08 2.31 1.13 -2.16 -1.33 0.00 0.00 177.39 177.43 3hrk s PRO 378 N -3.23 4.28 0.04 3.23 0.04 -1.26 -4.91 135.00 133.19 3hrk s PRO 378 Ca 0.47 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 3hrk s PRO 378 Cb 0.27 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 3hrk s PRO 378 CO -0.12 -0.51 1.93 0.34 0.04 0.00 0.00 177.00 178.68 3hrk s ASP 379 N 1.15 6.46 -0.38 6.66 3.68 -1.26 -4.96 116.67 128.02 3hrk s ASP 379 Ca 0.67 2.66 -0.11 0.00 2.13 0.00 0.00 52.55 57.89 3hrk s ASP 379 Cb -0.40 -2.54 0.03 0.00 -1.45 0.00 0.00 42.92 38.57 3hrk s ASP 379 CO 0.31 -1.04 0.22 -0.63 0.13 0.00 0.00 175.17 174.15 3hrk s ILE 380 N 4.21 4.63 0.71 4.11 1.01 -1.26 -5.09 121.20 129.52 3hrk s ILE 380 Ca 0.87 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3hrk s ILE 380 Cb -0.43 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3hrk s ILE 380 CO 0.40 -0.26 1.07 -2.16 0.00 0.00 0.00 174.94 174.00 3hrk s PRO 381 N 1.56 2.72 0.31 2.79 0.04 -1.26 -4.96 135.00 136.20 3hrk s PRO 381 Ca 0.02 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 3hrk s PRO 381 Cb -0.19 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 3hrk s PRO 381 CO 0.07 -1.28 1.53 1.58 0.04 0.00 0.00 177.00 178.95 3hrk n HIS 382 N -3.11 2.78 -4.17 0.56 -0.00 -1.26 -5.04 115.22 104.99 3hrk n HIS 382 Ca 0.08 0.34 -0.13 0.00 -0.00 0.00 0.00 57.72 58.01 3hrk n HIS 382 Cb 0.53 -2.56 -0.11 0.00 -0.00 0.00 0.00 29.99 27.86 3hrk n HIS 382 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3hrk s VAL 383 N -0.35 0.84 0.00 3.57 -7.23 -1.26 -4.25 120.40 111.73 3hrk s VAL 383 Ca 0.61 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 3hrk s VAL 383 Cb -0.51 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.00 3hrk s VAL 383 CO 0.53 -0.65 -0.02 0.54 -0.31 0.00 0.00 175.10 175.19 3hrk s VAL 384 N -2.77 0.10 0.11 1.32 0.11 -0.92 -5.01 120.40 113.33 3hrk s VAL 384 Ca 0.07 -0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 58.66 3hrk s VAL 384 Cb -0.01 -0.12 -0.09 0.00 -1.53 0.00 0.00 36.38 34.64 3hrk s VAL 384 CO -0.01 -0.07 1.67 0.44 -3.33 0.00 0.00 175.10 173.79 3hrk h ASP 385 N 5.86 -0.52 -4.62 3.54 3.45 -1.37 -2.61 116.42 120.15 3hrk h ASP 385 Ca -0.26 0.06 -0.27 0.00 0.43 0.00 0.00 57.03 56.99 3hrk h ASP 385 Cb 1.21 0.20 -0.23 0.00 -0.56 0.00 0.00 39.33 39.95 3hrk h ASP 385 CO 0.49 -0.26 -0.73 -1.81 -1.57 0.00 0.00 179.24 175.36 3hrk s ASP 386 N -4.91 0.73 -0.16 6.45 1.01 -0.79 -2.09 116.67 116.91 3hrk s ASP 386 Ca -0.15 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 52.67 3hrk s ASP 386 Cb 0.08 0.03 0.02 0.00 1.01 0.00 0.00 42.92 44.05 3hrk s ASP 386 CO 0.66 -0.17 -0.20 -0.69 0.21 0.00 0.00 175.17 174.98 3hrk s VAL 387 N -1.15 2.00 -0.41 -1.27 1.01 -0.04 -1.05 120.40 119.48 3hrk s VAL 387 Ca -0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 3hrk s VAL 387 Cb -0.08 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3hrk s VAL 387 CO 0.00 0.53 0.46 -0.69 0.00 0.00 0.00 175.10 175.40 3hrk s VAL 388 N 1.09 5.06 -0.43 2.92 1.01 0.40 -0.60 120.40 129.85 3hrk s VAL 388 Ca -0.01 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 3hrk s VAL 388 Cb -0.14 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3hrk s VAL 388 CO -0.08 -0.40 0.31 -0.63 0.00 0.00 0.00 175.10 174.31 3hrk s ILE 389 N 2.22 5.08 0.19 2.22 1.01 0.12 -2.68 121.20 129.36 3hrk s ILE 389 Ca 0.14 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 3hrk s ILE 389 Cb -0.17 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3hrk s ILE 389 CO 0.14 -0.40 1.30 -2.16 0.00 0.00 0.00 174.94 173.82 3hrk s PRO 390 N 1.63 4.40 0.06 2.79 0.04 -1.26 -0.53 135.00 142.13 3hrk s PRO 390 Ca 0.04 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 3hrk s PRO 390 Cb -0.21 -3.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.96 3hrk s PRO 390 CO 0.08 -0.24 1.60 0.35 0.04 0.00 0.00 177.00 178.83 3hrk h PHE 391 N 5.40 -0.27 -3.55 0.56 3.57 -1.83 -3.45 116.94 117.37 3hrk h PHE 391 Ca -0.45 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 60.55 3hrk h PHE 391 Cb 1.21 0.09 -0.13 0.00 2.79 0.00 0.00 35.95 39.91 3hrk h PHE 391 CO 0.62 -0.10 -0.52 0.16 -2.23 0.00 0.00 178.31 176.24 3hrk s ASP 392 N -5.01 2.18 0.54 0.41 3.84 -1.26 -4.89 116.67 112.47 3hrk s ASP 392 Ca -0.15 -1.66 0.32 0.00 -0.00 0.00 0.00 52.55 51.06 3hrk s ASP 392 Cb 0.04 0.48 1.42 0.00 -1.38 0.00 0.00 42.92 43.49 3hrk s ASP 392 CO 0.63 -0.95 2.01 -0.33 -0.00 0.00 0.00 175.17 176.54 3hrk h GLU 393 N 1.99 0.00 -0.03 2.11 4.39 -1.98 -1.83 114.58 119.23 3hrk h GLU 393 Ca -0.32 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 3hrk h GLU 393 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3hrk h GLU 393 CO 0.50 0.06 -0.10 0.66 -1.16 0.00 0.00 179.01 178.97 3hrk h SER 394 N 0.00 0.05 1.03 1.42 4.64 -1.97 -1.29 113.55 117.43 3hrk h SER 394 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hrk h SER 394 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hrk h SER 394 CO 0.01 0.16 0.00 0.23 -0.87 0.00 0.00 176.83 176.36 3hrk n MET 395 N -4.39 0.05 -0.25 4.77 2.81 -0.69 -4.28 117.12 115.15 3hrk n MET 395 Ca -0.02 0.06 -0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3hrk n MET 395 Cb 0.19 -1.56 0.06 0.00 -0.71 0.00 0.00 33.22 31.21 3hrk n MET 395 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3hrk h ARG 396 N 0.00 -0.04 -0.13 0.03 2.43 -1.29 0.29 114.38 115.67 3hrk h ARG 396 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3hrk h ARG 396 Cb 0.52 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3hrk h ARG 396 CO 0.00 -0.03 -0.15 -1.35 -1.51 0.00 0.00 179.97 176.94 3hrk h PRO 397 N -0.04 0.20 -0.16 0.20 0.11 -1.79 0.10 132.00 130.62 3hrk h PRO 397 Ca 0.33 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 3hrk h PRO 397 Cb 0.55 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3hrk h PRO 397 CO -0.75 0.36 -0.31 0.45 -0.21 0.00 0.00 178.00 177.53 3hrk h HIS 398 N 0.19 0.61 -0.48 0.65 3.86 -1.29 -2.58 115.15 116.12 3hrk h HIS 398 Ca 0.04 -0.22 0.10 0.00 -1.16 0.00 0.00 60.37 59.12 3hrk h HIS 398 Cb 0.38 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.64 3hrk h HIS 398 CO 0.01 0.94 -0.18 0.00 0.86 0.00 0.00 177.93 179.56 3hrk h ALA 399 N 0.56 0.20 -0.34 2.45 0.00 0.11 -0.26 119.26 121.99 3hrk h ALA 399 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3hrk h ALA 399 Cb 0.91 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3hrk h ALA 399 CO 0.07 -0.51 -0.04 -0.07 0.00 0.00 0.00 179.25 178.70 3hrk h LEU 400 N -0.07 -0.21 -0.79 0.00 3.38 -0.90 0.11 115.31 116.82 3hrk h LEU 400 Ca 0.23 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.47 3hrk h LEU 400 Cb 0.43 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.21 3hrk h LEU 400 CO -0.53 -0.07 0.02 0.00 0.09 0.00 0.00 178.44 177.96 3hrk h ALA 401 N 1.31 0.86 -0.35 1.53 0.00 -0.68 -0.19 119.26 121.74 3hrk h ALA 401 Ca 0.16 0.25 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 3hrk h ALA 401 Cb 0.24 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hrk h ALA 401 CO -0.31 -0.44 -0.39 0.28 0.00 0.00 0.00 179.25 178.39 3hrk h VAL 402 N 0.11 1.28 -0.24 0.00 2.07 0.46 -2.61 116.25 117.30 3hrk h VAL 402 Ca 0.44 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3hrk h VAL 402 Cb 0.80 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3hrk h VAL 402 CO -0.69 0.52 0.13 0.25 0.02 0.00 0.00 177.57 177.79 3hrk h LEU 403 N 0.69 0.31 -0.60 2.57 5.85 0.27 -2.14 115.31 122.26 3hrk h LEU 403 Ca 0.06 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3hrk h LEU 403 Cb 0.97 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 3hrk h LEU 403 CO 0.09 0.33 0.26 -0.09 -0.34 0.00 0.00 178.44 178.68 3hrk h ARG 404 N 0.27 0.45 -0.36 1.25 9.65 -1.01 -1.21 114.38 123.43 3hrk h ARG 404 Ca 0.09 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3hrk h ARG 404 Cb 0.09 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3hrk h ARG 404 CO -0.01 0.30 0.24 -0.09 2.80 0.00 0.00 179.97 183.21 3hrk h ARG 405 N 0.46 0.41 0.06 0.20 2.43 -1.03 0.28 114.38 117.20 3hrk h ARG 405 Ca 0.30 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3hrk h ARG 405 Cb 0.32 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3hrk h ARG 405 CO -0.27 0.27 -0.43 -0.07 -1.51 0.00 0.00 179.97 177.97 3hrk h LEU 406 N 0.42 0.27 -1.89 3.80 3.38 -0.86 -2.80 115.31 117.64 3hrk h LEU 406 Ca 0.14 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 3hrk h LEU 406 Cb 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hrk h LEU 406 CO -0.03 1.18 0.02 0.03 0.09 0.00 0.00 178.44 179.72 3hrk h ARG 407 N -0.60 0.09 -0.44 1.13 3.08 -0.77 0.13 114.38 116.99 3hrk h ARG 407 Ca -0.07 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3hrk h ARG 407 Cb 1.30 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3hrk h ARG 407 CO 0.08 0.08 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.50 3hrk h ASP 408 N 0.09 0.86 0.00 7.04 3.45 -0.51 -2.71 116.42 124.64 3hrk h ASP 408 Ca 0.02 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3hrk h ASP 408 Cb 0.04 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 3hrk h ASP 408 CO -0.00 1.04 0.00 0.00 -1.57 0.00 0.00 179.24 178.70 3hrk n ALA 409 N -2.47 2.21 -0.78 3.45 0.00 -0.09 -4.78 120.51 118.06 3hrk n ALA 409 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hrk n ALA 409 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3hrk n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrk n GLY 410 N 0.22 0.60 3.89 0.00 0.00 -0.92 -5.03 105.19 103.95 3hrk n GLY 410 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3hrk n GLY 410 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrk s ARG 411 N -0.33 3.44 -0.26 1.61 0.52 -0.50 -5.00 118.95 118.44 3hrk s ARG 411 Ca 0.00 0.44 -0.09 0.00 -0.52 0.00 0.00 55.73 55.57 3hrk s ARG 411 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3hrk s ARG 411 CO 0.00 -0.49 0.12 -1.54 0.02 0.00 0.00 175.30 173.41 3hrk s SER 412 N -4.18 5.53 0.09 0.23 1.04 -1.26 -4.23 113.70 110.91 3hrk s SER 412 Ca 0.52 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 3hrk s SER 412 Cb -0.11 -2.01 0.01 0.00 0.10 0.00 0.00 66.02 64.02 3hrk s SER 412 CO 0.50 -0.02 0.26 0.00 0.98 0.00 0.00 173.24 174.95 3hrk s ALA 413 N 1.57 -0.46 0.15 5.32 0.00 -1.26 -0.97 121.76 126.10 3hrk s ALA 413 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3hrk s ALA 413 Cb -0.15 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3hrk s ALA 413 CO 0.06 -0.52 0.00 0.34 0.00 0.00 0.00 175.76 175.65 3hrk s ASP 414 N -2.68 0.96 -0.09 0.00 3.68 -0.22 -4.97 116.67 113.35 3hrk s ASP 414 Ca 0.02 -1.15 -0.11 0.00 2.13 0.00 0.00 52.55 53.45 3hrk s ASP 414 Cb 0.03 0.16 0.03 0.00 -1.45 0.00 0.00 42.92 41.69 3hrk s ASP 414 CO -0.10 -0.59 0.29 -0.51 0.13 0.00 0.00 175.17 174.39 3hrk s ILE 415 N -3.76 0.01 -0.01 4.11 2.07 -1.26 -0.45 121.20 121.91 3hrk s ILE 415 Ca 0.21 -0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 3hrk s ILE 415 Cb 0.06 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 42.16 3hrk s ILE 415 CO 0.01 -0.05 1.49 -0.63 -1.91 0.00 0.00 174.94 173.85 3hrk s ILE 416 N -0.11 3.60 -0.22 2.00 -1.09 -1.09 -4.90 121.20 119.39 3hrk s ILE 416 Ca -0.02 0.93 -0.10 0.00 -2.23 0.00 0.00 60.65 59.23 3hrk s ILE 416 Cb -0.03 -3.60 -0.19 0.00 -1.58 0.00 0.00 42.46 37.07 3hrk s ILE 416 CO 0.01 -0.03 -0.01 0.18 -1.23 0.00 0.00 174.94 173.86 3hrk n LEU 417 N 5.87 2.39 -4.89 2.97 4.77 -1.26 -4.83 117.00 122.01 3hrk n LEU 417 Ca 0.15 0.20 -0.28 0.00 -0.03 0.00 0.00 56.01 56.04 3hrk n LEU 417 Cb 0.43 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 3hrk n LEU 417 CO 0.60 0.68 0.46 -1.81 -1.33 0.00 0.00 177.39 175.99 3hrk s ASP 418 N -6.98 6.34 -0.01 -1.43 1.01 -1.26 -5.00 116.67 109.34 3hrk s ASP 418 Ca -0.31 1.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.66 3hrk s ASP 418 Cb 0.09 -2.28 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 3hrk s ASP 418 CO 0.61 -0.54 2.01 -0.75 0.21 0.00 0.00 175.17 176.71 3hrk s LYS 419 N -4.49 3.97 0.06 8.23 2.20 -1.26 -4.98 119.74 123.46 3hrk s LYS 419 Ca 0.49 2.50 -0.13 0.00 -0.36 0.00 0.00 55.97 58.47 3hrk s LYS 419 Cb -0.10 -4.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.04 3hrk s LYS 419 CO 0.41 -1.15 0.30 -1.59 -0.36 0.00 0.00 175.35 172.96 3hrk s LYS 420 N 4.78 0.84 1.03 4.03 -2.85 -1.26 -5.17 119.74 121.14 3hrk s LYS 420 Ca 0.90 -0.57 -0.12 0.00 -1.00 0.00 0.00 55.97 55.18 3hrk s LYS 420 Cb -0.41 0.36 0.21 0.00 -2.06 0.00 0.00 37.83 35.93 3hrk s LYS 420 CO 0.40 -0.27 1.07 0.15 0.10 0.00 0.00 175.35 176.80 3hrk s LYS 421 N -2.80 0.15 0.11 1.78 -0.14 -1.26 -4.74 119.74 112.83 3hrk s LYS 421 Ca -0.03 0.72 -0.16 0.00 -1.36 0.00 0.00 55.97 55.14 3hrk s LYS 421 Cb 0.00 -1.69 -0.05 0.00 -1.68 0.00 0.00 37.83 34.42 3hrk s LYS 421 CO -0.05 -2.97 1.54 0.28 -0.76 0.00 0.00 175.35 173.39 3hrk h VAL 422 N -2.07 1.26 0.44 3.17 2.07 -1.96 -1.98 116.25 117.18 3hrk h VAL 422 Ca -0.55 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 3hrk h VAL 422 Cb 1.32 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 3hrk h VAL 422 CO 0.54 0.33 -0.47 0.58 0.02 0.00 0.00 177.57 178.56 3hrk h VAL 423 N 0.41 0.07 -0.89 2.57 2.07 -2.00 -2.57 116.25 115.90 3hrk h VAL 423 Ca 0.09 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.86 3hrk h VAL 423 Cb 0.47 0.07 -0.15 0.00 -1.52 0.00 0.00 31.29 30.16 3hrk h VAL 423 CO 0.02 0.00 0.19 1.56 0.02 0.00 0.00 177.57 179.36 3hrk h GLN 424 N -0.93 0.14 -0.01 1.57 4.20 -1.82 0.37 115.11 118.63 3hrk h GLN 424 Ca -0.05 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hrk h GLN 424 Cb 0.82 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 3hrk h GLN 424 CO -0.08 0.10 -0.33 0.00 -0.67 0.00 0.00 178.83 177.84 3hrk h ALA 425 N 1.82 -0.48 -0.73 3.87 0.00 -1.05 0.26 119.26 122.95 3hrk h ALA 425 Ca 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 3hrk h ALA 425 Cb 1.15 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 3hrk h ALA 425 CO -0.71 -0.84 0.46 0.74 0.00 0.00 0.00 179.25 178.89 3hrk h PHE 426 N -0.47 0.95 -0.19 0.00 0.04 0.01 0.50 116.94 117.78 3hrk h PHE 426 Ca 0.06 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.86 3hrk h PHE 426 Cb 0.57 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3hrk h PHE 426 CO -0.36 0.62 0.05 -0.91 -0.60 0.00 0.00 178.31 177.12 3hrk h ASN 427 N 1.01 0.05 -0.49 2.17 4.21 -0.15 -0.97 115.58 121.41 3hrk h ASN 427 Ca 0.27 0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.86 3hrk h ASN 427 Cb -0.06 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.10 3hrk h ASN 427 CO -0.05 0.06 0.18 0.22 -1.29 0.00 0.00 177.43 176.54 3hrk h TYR 428 N 0.14 0.31 -0.36 1.19 3.20 0.95 -0.96 116.97 121.44 3hrk h TYR 428 Ca 0.08 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.05 3hrk h TYR 428 Cb 0.06 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 3hrk h TYR 428 CO -0.12 0.11 -0.28 0.00 -1.64 0.00 0.00 178.16 176.22 3hrk h ALA 429 N 1.32 -0.12 -0.80 1.82 0.00 -0.42 -0.21 119.26 120.85 3hrk h ALA 429 Ca 0.23 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.30 3hrk h ALA 429 Cb 0.23 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3hrk h ALA 429 CO -0.23 -0.68 0.49 -0.44 0.00 0.00 0.00 179.25 178.38 3hrk h ASP 430 N -0.23 0.77 0.62 0.00 3.32 -0.44 -1.17 116.42 119.28 3hrk h ASP 430 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3hrk h ASP 430 Cb 0.51 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hrk h ASP 430 CO -0.49 0.50 -0.30 0.03 -1.72 0.00 0.00 179.24 177.26 3hrk h ARG 431 N 0.91 -0.80 0.00 3.56 2.47 0.24 -1.86 114.38 118.89 3hrk h ARG 431 Ca 0.34 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 3hrk h ARG 431 Cb 0.13 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3hrk h ARG 431 CO -0.16 -0.52 0.00 1.33 0.56 0.00 0.00 179.97 181.18 3hrk n VAL 432 N -5.43 0.00 -2.92 2.04 0.24 -0.54 -4.89 118.33 106.84 3hrk n VAL 432 Ca -0.13 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 3hrk n VAL 432 Cb 0.35 -0.61 0.06 0.00 -1.47 0.00 0.00 33.84 32.16 3hrk n VAL 432 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrk n GLY 433 N 0.26 -0.54 3.77 7.63 0.00 -0.70 -3.68 105.19 111.93 3hrk n GLY 433 Ca 0.13 0.27 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 3hrk n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrk s ALA 434 N -3.29 3.33 -0.07 4.61 0.00 -0.51 -2.17 121.76 123.65 3hrk s ALA 434 Ca 0.25 0.48 0.16 0.00 0.00 0.00 0.00 51.96 52.85 3hrk s ALA 434 Cb -0.03 -3.10 0.19 0.00 0.00 0.00 0.00 23.12 20.17 3hrk s ALA 434 CO 0.57 0.23 1.50 0.28 0.00 0.00 0.00 175.76 178.34 3hrk h VAL 435 N 2.95 0.90 -2.64 0.00 2.07 -1.23 -3.43 116.25 114.87 3hrk h VAL 435 Ca -0.46 -2.13 -0.11 0.00 0.82 0.00 0.00 66.70 64.82 3hrk h VAL 435 Cb 1.20 2.34 -0.23 0.00 -1.52 0.00 0.00 31.29 33.07 3hrk h VAL 435 CO 0.66 0.49 -0.18 -0.60 0.02 0.00 0.00 177.57 177.96 3hrk s ARG 436 N -3.08 0.56 -0.26 1.57 3.52 -0.89 -2.26 118.95 118.10 3hrk s ARG 436 Ca 0.03 0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 56.15 3hrk s ARG 436 Cb 0.08 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 3hrk s ARG 436 CO 0.73 -0.08 0.01 0.00 -0.81 0.00 0.00 175.30 175.16 3hrk s ALA 437 N 0.09 2.92 -0.54 6.12 0.00 -0.47 -0.86 121.76 129.02 3hrk s ALA 437 Ca -0.01 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 3hrk s ALA 437 Cb -0.03 -1.92 0.14 0.00 0.00 0.00 0.00 23.12 21.30 3hrk s ALA 437 CO 0.01 -0.75 0.47 0.08 0.00 0.00 0.00 175.76 175.57 3hrk s VAL 438 N 1.46 4.87 -0.03 0.00 1.01 0.23 -1.49 120.40 126.44 3hrk s VAL 438 Ca 0.03 -1.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.02 3hrk s VAL 438 Cb -0.16 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3hrk s VAL 438 CO -0.01 -0.85 0.84 -0.22 0.00 0.00 0.00 175.10 174.87 3hrk s LEU 439 N 1.35 4.35 -0.74 3.92 2.96 0.16 -0.70 118.68 129.97 3hrk s LEU 439 Ca 0.06 1.44 -0.07 0.00 -0.22 0.00 0.00 54.13 55.33 3hrk s LEU 439 Cb -0.27 -3.34 0.19 0.00 0.50 0.00 0.00 46.19 43.28 3hrk s LEU 439 CO 0.01 -0.18 0.62 -0.69 -1.32 0.00 0.00 176.35 174.78 3hrk s VAL 440 N 0.86 4.57 0.34 1.68 1.01 0.31 -0.81 120.40 128.36 3hrk s VAL 440 Ca 0.45 -2.88 0.05 0.00 0.00 0.00 0.00 61.98 59.60 3hrk s VAL 440 Cb -0.20 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3hrk s VAL 440 CO 0.23 -0.97 0.49 0.00 0.00 0.00 0.00 175.10 174.86 3hrk s ALA 441 N -0.15 4.07 -0.11 5.51 0.00 -1.26 -2.45 121.76 127.37 3hrk s ALA 441 Ca 0.19 -1.32 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 3hrk s ALA 441 Cb -0.15 -1.79 -0.28 0.00 0.00 0.00 0.00 23.12 20.90 3hrk s ALA 441 CO -0.06 -0.05 0.81 -1.00 0.00 0.00 0.00 175.76 175.46 3hrk h PRO 442 N 0.84 0.11 -0.63 0.00 0.14 -1.97 -1.49 132.00 129.01 3hrk h PRO 442 Ca -0.47 -0.19 0.13 0.00 0.14 0.00 0.00 66.00 65.61 3hrk h PRO 442 Cb 1.25 0.07 -0.10 0.00 0.14 0.00 0.00 31.00 32.36 3hrk h PRO 442 CO 0.55 1.09 0.07 1.49 0.14 0.00 0.00 178.00 181.34 3hrk h GLU 443 N -0.76 0.18 -0.20 0.86 4.81 -1.97 -1.02 114.58 116.47 3hrk h GLU 443 Ca -0.06 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3hrk h GLU 443 Cb 1.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3hrk h GLU 443 CO 0.06 0.12 -0.07 0.93 -0.73 0.00 0.00 179.01 179.32 3hrk h GLU 444 N 0.18 0.40 -0.95 1.92 3.07 -1.83 -3.21 114.58 114.15 3hrk h GLU 444 Ca 0.34 -0.16 0.11 0.00 -0.50 0.00 0.00 59.36 59.15 3hrk h GLU 444 Cb 0.55 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.36 3hrk h GLU 444 CO -0.49 0.66 0.59 2.35 -1.40 0.00 0.00 179.01 180.72 3hrk h TRP 445 N 0.10 1.06 -0.65 4.33 2.91 -0.44 -0.18 115.95 123.08 3hrk h TRP 445 Ca 0.05 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 3hrk h TRP 445 Cb 0.53 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 3hrk h TRP 445 CO 0.06 0.42 0.38 1.49 -1.03 0.00 0.00 178.44 179.76 3hrk h GLU 446 N 0.94 0.90 -0.35 2.65 4.22 -1.22 0.16 114.58 121.87 3hrk h GLU 446 Ca 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.82 3hrk h GLU 446 Cb 0.46 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hrk h GLU 446 CO -0.26 0.65 0.00 0.54 -2.18 0.00 0.00 179.01 177.76 3hrk n ARG 447 N -4.56 0.75 -3.46 1.92 1.74 -0.19 -4.86 116.66 108.00 3hrk n ARG 447 Ca 0.05 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.95 3hrk n ARG 447 Cb 0.07 -1.17 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 3hrk n ARG 447 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hrk n GLY 448 N 0.19 -0.60 3.39 -0.13 0.00 0.54 -5.02 105.19 103.57 3hrk n GLY 448 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 3hrk n GLY 448 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrk s GLU 449 N -5.27 1.25 0.14 1.61 2.02 -0.54 -3.55 118.70 114.36 3hrk s GLU 449 Ca 0.15 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 53.99 3hrk s GLU 449 Cb -0.03 0.40 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 3hrk s GLU 449 CO 0.76 -0.48 -0.05 0.14 0.02 0.00 0.00 175.26 175.65 3hrk s VAL 450 N -3.98 0.82 -0.19 2.63 -7.23 0.10 -2.36 120.40 110.19 3hrk s VAL 450 Ca 0.18 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 3hrk s VAL 450 Cb 0.02 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3hrk s VAL 450 CO 0.02 -0.67 0.38 -1.10 -0.31 0.00 0.00 175.10 173.42 3hrk s GLN 451 N -3.84 4.19 -0.12 4.82 -0.21 0.01 -0.41 119.66 124.09 3hrk s GLN 451 Ca 0.18 0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.77 3hrk s GLN 451 Cb 0.05 -3.52 -0.00 0.00 1.00 0.00 0.00 33.01 30.53 3hrk s GLN 451 CO 0.00 0.00 -0.19 0.08 -2.12 0.00 0.00 175.29 173.06 3hrk s VAL 452 N 1.19 2.43 -0.10 1.09 1.01 -1.22 0.37 120.40 125.16 3hrk s VAL 452 Ca 0.19 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3hrk s VAL 452 Cb -0.15 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 3hrk s VAL 452 CO 0.08 0.54 -0.22 -0.75 0.00 0.00 0.00 175.10 174.75 3hrk s LYS 453 N 0.47 3.10 -0.07 2.72 2.20 -0.56 -3.36 119.74 124.25 3hrk s LYS 453 Ca -0.13 -0.84 -0.13 0.00 -0.36 0.00 0.00 55.97 54.50 3hrk s LYS 453 Cb -0.17 -2.36 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3hrk s LYS 453 CO 0.05 0.19 0.34 -1.64 -0.36 0.00 0.00 175.35 173.94 3hrk s MET 454 N 0.32 3.95 -0.24 4.03 -1.94 -1.26 -1.36 119.30 122.80 3hrk s MET 454 Ca -0.17 0.25 0.11 0.00 -1.71 0.00 0.00 55.69 54.17 3hrk s MET 454 Cb -0.17 -3.28 0.46 0.00 2.01 0.00 0.00 34.83 33.84 3hrk s MET 454 CO 0.08 0.56 1.34 1.28 -0.01 0.00 0.00 175.02 178.27 3hrk n LEU 455 N 2.41 3.40 0.00 -0.03 4.77 -0.96 -5.00 117.00 121.59 3hrk n LEU 455 Ca -0.14 -3.73 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 3hrk n LEU 455 Cb 0.53 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3hrk n LEU 455 CO 0.37 1.25 0.00 0.49 -1.33 0.00 0.00 177.39 178.17 3hrk n PHE 470 N -1.11 0.00 -4.92 -1.77 3.72 -1.21 -5.04 117.46 107.12 3hrk n PHE 470 Ca 0.25 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.39 3hrk n PHE 470 Cb 0.86 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.24 3hrk n PHE 470 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hrk s ALA 471 N -3.88 1.65 -0.00 4.37 0.00 -1.26 -3.38 121.76 119.25 3hrk s ALA 471 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3hrk s ALA 471 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3hrk s ALA 471 CO 0.00 0.40 -0.04 0.08 0.00 0.00 0.00 175.76 176.20 3hrk s VAL 472 N -0.50 0.29 0.36 0.00 1.01 0.45 -4.96 120.40 117.04 3hrk s VAL 472 Ca 0.08 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3hrk s VAL 472 Cb -0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 3hrk s VAL 472 CO -0.00 0.06 0.96 -2.16 0.00 0.00 0.00 175.10 173.95 3hrk s PRO 473 N -0.16 4.46 0.56 2.72 0.04 -1.26 0.00 135.00 141.36 3hrk s PRO 473 Ca 0.01 1.31 0.28 0.00 0.04 0.00 0.00 61.00 62.63 3hrk s PRO 473 Cb -0.02 -2.63 1.47 0.00 0.04 0.00 0.00 34.50 33.36 3hrk s PRO 473 CO -0.00 0.16 1.95 -0.07 0.04 0.00 0.00 177.00 179.08 3hrk h LEU 474 N 2.81 0.00 -0.17 -3.56 4.07 -1.92 0.11 115.31 116.66 3hrk h LEU 474 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3hrk h LEU 474 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 3hrk h LEU 474 CO 0.64 0.00 -0.12 -0.90 -1.08 0.00 0.00 178.44 176.97 3hrk n ASP 475 N -4.05 0.38 -0.23 -0.43 5.75 -1.26 -3.93 116.55 112.78 3hrk n ASP 475 Ca 0.10 -0.39 0.02 0.00 -0.01 0.00 0.00 54.79 54.52 3hrk n ASP 475 Cb 0.66 -0.11 0.06 0.00 -1.03 0.00 0.00 41.12 40.70 3hrk n ASP 475 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hrk n ARG 476 N -1.09 2.90 0.14 0.11 1.74 0.39 -4.13 116.66 116.71 3hrk n ARG 476 Ca 0.13 -1.74 -0.01 0.00 -0.77 0.00 0.00 57.85 55.45 3hrk n ARG 476 Cb 0.29 -1.12 0.18 0.00 -1.02 0.00 0.00 32.46 30.79 3hrk n ARG 476 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3hrk h LEU 477 N 0.70 0.00 0.00 0.55 3.38 -1.68 -3.47 115.31 114.79 3hrk h LEU 477 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hrk h LEU 477 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3hrk h LEU 477 CO 0.00 0.60 0.00 1.33 0.09 0.00 0.00 178.44 180.47