#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 4.04 -0.20 5.55 2.56 -1.26 -4.96 118.70 124.42 3hrk s GLU 50 Ca 0.00 0.49 0.11 0.00 0.00 0.00 0.00 54.97 55.57 3hrk s GLU 50 Cb 0.00 -3.68 -0.22 0.00 2.00 0.00 0.00 34.13 32.22 3hrk s GLU 50 CO 0.00 -0.49 0.05 0.25 -0.56 0.00 0.00 175.26 174.51 3hrk n THR 51 N 5.29 1.46 -2.01 -1.70 -2.24 -1.26 -4.99 114.28 108.84 3hrk n THR 51 Ca -0.00 -0.75 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 3hrk n THR 51 Cb 0.49 -0.88 0.03 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.51 3.01 0.70 -0.78 0.41 -1.26 -5.01 118.70 113.25 3hrk s GLU 52 Ca -0.18 1.69 -0.09 0.00 -0.41 0.00 0.00 54.97 55.98 3hrk s GLU 52 Cb 0.07 -1.95 0.03 0.00 -1.78 0.00 0.00 34.13 30.50 3hrk s GLU 52 CO 0.76 -1.15 1.05 -1.25 -0.49 0.00 0.00 175.26 174.18 3hrk s PRO 53 N -3.47 2.60 0.14 0.39 0.04 -1.26 -4.98 135.00 128.46 3hrk s PRO 53 Ca 0.74 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.64 3hrk s PRO 53 Cb -0.27 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 3hrk s PRO 53 CO 0.33 -1.09 1.74 0.08 0.04 0.00 0.00 177.00 178.10 3hrk s VAL 54 N -3.30 2.48 0.00 -0.36 1.01 -1.26 -4.80 120.40 114.17 3hrk s VAL 54 Ca 0.58 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hrk s VAL 54 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3hrk s VAL 54 CO 0.49 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.59 3hrk n GLN 55 N 4.97 0.00 -1.33 2.72 -0.00 -1.26 -1.83 117.38 120.65 3hrk n GLN 55 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.91 3hrk n GLN 55 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 30.24 30.60 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 4.45 3.97 2.61 0.00 -1.26 -4.91 105.19 110.05 3hrk n GLY 56 Ca 0.00 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.13 3.26 0.50 0.00 0.52 -1.26 -4.81 118.95 113.03 3hrk s ARG 58 Ca 0.38 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.92 3hrk s ARG 58 Cb -0.09 -2.81 -0.08 0.00 0.52 0.00 0.00 34.95 32.49 3hrk s ARG 58 CO 0.31 0.48 0.98 -0.51 0.02 0.00 0.00 175.30 176.58 3hrk s ASP 59 N -0.28 6.67 -0.57 0.23 1.01 -1.26 -5.05 116.67 117.43 3hrk s ASP 59 Ca 0.05 1.61 0.05 0.00 0.71 0.00 0.00 52.55 54.97 3hrk s ASP 59 Cb -0.13 -2.52 0.19 0.00 1.01 0.00 0.00 42.92 41.48 3hrk s ASP 59 CO 0.02 -0.55 0.50 0.49 0.21 0.00 0.00 175.17 175.84 3hrk n PHE 60 N -1.38 1.62 -1.18 4.23 3.01 -1.26 -4.96 117.46 117.54 3hrk n PHE 60 Ca 0.07 -3.89 -0.30 0.00 1.01 0.00 0.00 57.45 54.34 3hrk n PHE 60 Cb 0.54 -0.31 0.12 0.00 -0.01 0.00 0.00 39.48 39.82 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 -1.17 1.56 0.32 -1.08 0.04 -1.26 -4.39 135.00 129.02 3hrk s PRO 61 Ca 0.31 0.99 0.08 0.00 0.04 0.00 0.00 61.00 62.42 3hrk s PRO 61 Cb 0.04 -1.83 0.90 0.00 0.04 0.00 0.00 34.50 33.65 3hrk s PRO 61 CO -0.14 -2.08 1.65 -1.35 0.04 0.00 0.00 177.00 175.12 3hrk h PRO 62 N -1.44 0.24 0.03 0.56 0.11 -1.99 0.77 132.00 130.29 3hrk h PRO 62 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hrk h PRO 62 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hrk h PRO 62 CO 0.53 0.16 -0.01 1.49 -0.21 0.00 0.00 178.00 179.95 3hrk h GLU 63 N 0.25 -0.04 -0.26 1.05 4.81 -1.99 -1.06 114.58 117.34 3hrk h GLU 63 Ca 0.64 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.75 3hrk h GLU 63 Cb 1.40 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 3hrk h GLU 63 CO -0.65 0.04 -0.32 0.00 -0.73 0.00 0.00 179.01 177.35 3hrk h ALA 64 N 0.87 0.39 -0.58 2.92 0.00 -1.18 -3.18 119.26 118.50 3hrk h ALA 64 Ca -0.00 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.58 3hrk h ALA 64 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hrk h ALA 64 CO 0.01 0.44 0.39 1.98 0.00 0.00 0.00 179.25 182.06 3hrk h MET 65 N 0.41 0.41 -0.33 0.00 1.85 0.64 -1.27 114.93 116.64 3hrk h MET 65 Ca 0.03 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 3hrk h MET 65 Cb 0.90 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.82 3hrk h MET 65 CO 0.08 0.27 0.17 0.00 -0.40 0.00 0.00 176.91 177.03 3hrk h ARG 66 N 0.42 0.47 -0.89 0.39 3.08 -1.17 -1.16 114.38 115.51 3hrk h ARG 66 Ca 0.27 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.39 3hrk h ARG 66 Cb 0.49 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.36 3hrk h ARG 66 CO -0.07 0.41 0.50 0.00 -1.07 0.00 0.00 179.97 179.74 3hrk h ARG 68 N 0.74 -0.30 -0.49 0.00 2.43 -0.97 -1.79 114.38 113.99 3hrk h ARG 68 Ca 0.47 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.76 3hrk h ARG 68 Cb 0.61 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.14 3hrk h ARG 68 CO -0.33 -0.07 -0.04 0.00 -1.51 0.00 0.00 179.97 178.02 3hrk h ARG 69 N -0.49 0.07 -0.76 0.20 2.47 -0.58 0.14 114.38 115.44 3hrk h ARG 69 Ca -0.03 -0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.85 3hrk h ARG 69 Cb 0.37 -0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 28.56 3hrk h ARG 69 CO 0.05 0.05 0.23 1.25 0.56 0.00 0.00 179.97 182.11 3hrk h HIS 70 N 0.07 0.38 0.00 3.04 2.76 -0.83 0.15 115.15 120.72 3hrk h HIS 70 Ca 0.25 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.37 3hrk h HIS 70 Cb 0.37 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3hrk h HIS 70 CO -0.35 -0.05 -0.42 1.25 -1.30 0.00 0.00 177.93 177.07 3hrk h LEU 71 N 0.33 0.00 0.01 0.26 5.85 0.09 -3.27 115.31 118.58 3hrk h LEU 71 Ca 0.43 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.99 3hrk h LEU 71 Cb 0.73 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3hrk h LEU 71 CO -0.49 0.42 -0.87 -0.26 -0.34 0.00 0.00 178.44 176.90 3hrk h PHE 72 N 0.00 0.04 -0.73 1.25 -1.00 0.85 -3.23 116.94 114.12 3hrk h PHE 72 Ca -0.00 -0.03 0.20 0.00 2.81 0.00 0.00 57.97 60.94 3hrk h PHE 72 Cb 0.75 -0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.18 3hrk h PHE 72 CO 0.00 1.34 0.00 -0.25 -1.61 0.00 0.00 178.31 177.79 3hrk n ASP 73 N -4.44 -0.10 0.31 2.17 8.00 0.33 -0.38 116.55 122.44 3hrk n ASP 73 Ca -0.24 1.23 -0.17 0.00 0.71 0.00 0.00 54.79 56.32 3hrk n ASP 73 Cb 0.64 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 41.20 3hrk n ASP 73 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hrk h VAL 74 N 0.00 0.44 -0.17 2.53 2.07 -1.61 0.56 116.25 120.07 3hrk h VAL 74 Ca 0.43 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.96 3hrk h VAL 74 Cb 0.88 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3hrk h VAL 74 CO -0.69 0.01 -0.20 -0.26 0.02 0.00 0.00 177.57 176.45 3hrk h PHE 75 N -0.79 -0.52 0.02 1.57 0.04 -0.73 0.34 116.94 116.87 3hrk h PHE 75 Ca -0.08 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3hrk h PHE 75 Cb 0.60 0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.96 3hrk h PHE 75 CO -0.03 -0.28 -0.22 0.45 -0.60 0.00 0.00 178.31 177.63 3hrk h HIS 76 N -0.23 -0.59 -0.74 -0.55 3.86 -0.99 0.15 115.15 116.05 3hrk h HIS 76 Ca 0.11 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.43 3hrk h HIS 76 Cb 0.40 0.26 -0.07 0.00 1.06 0.00 0.00 27.41 29.06 3hrk h HIS 76 CO -0.33 -0.31 0.38 0.00 0.86 0.00 0.00 177.93 178.53 3hrk h ALA 77 N 0.48 1.03 -0.22 2.45 0.00 0.12 0.63 119.26 123.75 3hrk h ALA 77 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hrk h ALA 77 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hrk h ALA 77 CO -0.19 -0.01 0.03 1.15 0.00 0.00 0.00 179.25 180.23 3hrk h THR 78 N 0.65 1.23 0.09 0.00 2.02 -0.02 0.26 112.91 117.13 3hrk h THR 78 Ca 0.36 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.79 3hrk h THR 78 Cb 0.37 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3hrk h THR 78 CO -0.26 0.24 -0.53 0.00 0.37 0.00 0.00 175.52 175.33 3hrk h ALA 79 N 0.83 -0.99 -0.33 6.16 0.00 0.19 0.52 119.26 125.65 3hrk h ALA 79 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3hrk h ALA 79 Cb 0.33 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3hrk h ALA 79 CO 0.01 -1.13 -0.13 -0.22 0.00 0.00 0.00 179.25 177.78 3hrk h LYS 80 N -0.74 -0.07 -0.81 0.00 3.64 -0.68 0.66 116.57 118.57 3hrk h LYS 80 Ca -0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 3hrk h LYS 80 Cb 0.75 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 3hrk h LYS 80 CO -0.31 -0.05 0.54 1.15 -2.27 0.00 0.00 179.45 178.52 3hrk h THR 81 N -0.07 0.78 -0.02 1.00 2.02 -0.16 -0.34 112.91 116.13 3hrk h THR 81 Ca 0.17 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hrk h THR 81 Cb 0.32 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3hrk h THR 81 CO -0.38 0.09 -0.21 0.49 0.37 0.00 0.00 175.52 175.88 3hrk n PHE 82 N -4.50 0.00 -2.51 3.16 3.72 0.84 -4.97 117.46 113.20 3hrk n PHE 82 Ca 0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.54 3hrk n PHE 82 Cb 0.55 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.33 0.76 3.90 1.37 0.00 0.19 -5.04 105.19 107.71 3hrk n GLY 83 Ca 0.13 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.03 3.56 -0.03 1.61 0.40 -0.67 -4.81 117.98 115.01 3hrk s PHE 84 Ca 0.04 0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.68 3hrk s PHE 84 Cb -0.02 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 3hrk s PHE 84 CO 0.06 0.64 0.28 -1.21 0.70 0.00 0.00 175.22 175.69 3hrk s GLU 85 N -1.88 3.64 0.16 0.44 2.02 0.18 -4.41 118.70 118.85 3hrk s GLU 85 Ca 0.27 0.05 -0.21 0.00 0.02 0.00 0.00 54.97 55.10 3hrk s GLU 85 Cb -0.13 -3.14 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 3hrk s GLU 85 CO 0.18 0.69 0.68 -2.00 0.02 0.00 0.00 175.26 174.83 3hrk s GLU 86 N -1.39 4.32 0.22 1.61 2.12 -1.26 0.27 118.70 124.60 3hrk s GLU 86 Ca 0.23 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.46 3hrk s GLU 86 Cb -0.14 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 3hrk s GLU 86 CO 0.12 0.53 0.14 1.52 -0.54 0.00 0.00 175.26 177.02 3hrk s TYR 87 N -1.28 1.28 -0.05 5.30 -0.85 0.24 -4.86 117.35 117.12 3hrk s TYR 87 Ca 0.36 -1.37 -0.21 0.00 -0.52 0.00 0.00 57.07 55.33 3hrk s TYR 87 Cb -0.19 -0.64 0.04 0.00 0.38 0.00 0.00 41.96 41.55 3hrk s TYR 87 CO 0.22 -0.60 0.48 0.34 -1.52 0.00 0.00 175.55 174.47 3hrk s ASP 88 N -3.21 -0.42 0.42 -0.18 2.15 -1.26 -4.40 116.67 109.77 3hrk s ASP 88 Ca 0.39 0.47 0.05 0.00 0.43 0.00 0.00 52.55 53.89 3hrk s ASP 88 Cb 0.07 0.51 -0.06 0.00 -0.30 0.00 0.00 42.92 43.13 3hrk s ASP 88 CO 0.14 -0.47 0.02 0.00 -0.17 0.00 0.00 175.17 174.68 3hrk s ALA 89 N -1.04 3.29 0.41 3.66 0.00 -1.26 -5.12 121.76 121.70 3hrk s ALA 89 Ca -0.11 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 49.83 3hrk s ALA 89 Cb -0.03 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 3hrk s ALA 89 CO 0.06 -0.13 1.14 -2.14 0.00 0.00 0.00 175.76 174.70 3hrk s PRO 90 N -3.77 4.04 0.38 0.00 0.02 -1.26 -4.91 135.00 129.51 3hrk s PRO 90 Ca 0.28 1.76 0.11 0.00 0.02 0.00 0.00 61.00 63.17 3hrk s PRO 90 Cb 0.08 -2.62 0.77 0.00 0.02 0.00 0.00 34.50 32.75 3hrk s PRO 90 CO 0.14 -0.31 1.88 -0.24 -0.33 0.00 0.00 177.00 178.14 3hrk h VAL 91 N 2.24 1.21 -3.32 3.83 3.04 -1.97 -3.41 116.25 117.88 3hrk h VAL 91 Ca -0.49 -0.98 -0.58 0.00 -1.01 0.00 0.00 66.70 63.65 3hrk h VAL 91 Cb 1.23 1.43 -0.07 0.00 -2.01 0.00 0.00 31.29 31.87 3hrk h VAL 91 CO 0.62 0.29 -0.11 -0.22 -1.01 0.00 0.00 177.57 177.14 3hrk s LEU 92 N -8.52 4.30 0.23 3.16 2.96 -1.26 -0.89 118.68 118.66 3hrk s LEU 92 Ca -0.04 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3hrk s LEU 92 Cb 0.15 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 3hrk s LEU 92 CO 0.73 0.01 0.07 -1.61 -1.32 0.00 0.00 176.35 174.23 3hrk s GLU 93 N 0.52 1.32 0.41 1.98 0.41 -0.04 -4.94 118.70 118.36 3hrk s GLU 93 Ca 0.27 -1.70 -0.26 0.00 -0.41 0.00 0.00 54.97 52.88 3hrk s GLU 93 Cb -0.16 -0.23 -0.09 0.00 -1.78 0.00 0.00 34.13 31.88 3hrk s GLU 93 CO 0.11 -0.26 1.32 0.45 -0.49 0.00 0.00 175.26 176.39 3hrk s SER 94 N -3.27 6.25 0.12 -0.19 0.15 -1.26 -0.75 113.70 114.75 3hrk s SER 94 Ca 0.34 2.69 -0.20 0.00 0.70 0.00 0.00 55.95 59.48 3hrk s SER 94 Cb 0.07 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.67 3hrk s SER 94 CO 0.11 -0.89 1.75 -0.08 1.20 0.00 0.00 173.24 175.32 3hrk h GLU 95 N 2.63 0.12 -1.17 5.44 4.81 -1.79 -2.96 114.58 121.65 3hrk h GLU 95 Ca -0.50 -0.01 0.42 0.00 -0.13 0.00 0.00 59.36 59.15 3hrk h GLU 95 Cb 1.25 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.45 3hrk h GLU 95 CO 0.62 0.08 0.71 0.93 -0.73 0.00 0.00 179.01 180.62 3hrk h GLU 96 N 0.12 0.07 -0.36 1.92 5.08 -1.91 -1.50 114.58 118.00 3hrk h GLU 96 Ca 0.07 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3hrk h GLU 96 Cb 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3hrk h GLU 96 CO -0.07 0.05 0.26 1.25 -1.00 0.00 0.00 179.01 179.49 3hrk h LEU 97 N 0.08 0.05 -3.81 1.33 5.85 -1.91 -2.44 115.31 114.46 3hrk h LEU 97 Ca 0.83 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 59.18 3hrk h LEU 97 Cb 2.38 -0.01 -0.22 0.00 0.37 0.00 0.00 40.66 43.18 3hrk h LEU 97 CO -0.58 0.03 0.42 -1.22 -0.34 0.00 0.00 178.44 176.75 3hrk n TYR 98 N -4.44 2.54 -2.83 1.25 4.01 -0.56 -4.88 117.16 112.24 3hrk n TYR 98 Ca 0.05 -1.61 -0.43 0.00 -0.16 0.00 0.00 57.90 55.75 3hrk n TYR 98 Cb 0.40 -0.79 -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 -3.20 4.36 0.06 -0.72 1.01 -0.92 -4.65 121.20 117.15 3hrk s ILE 99 Ca 0.54 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3hrk s ILE 99 Cb 0.45 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3hrk s ILE 99 CO 0.10 -1.54 0.00 0.54 0.00 0.00 0.00 174.94 174.04 3hrk n ARG 100 N 7.59 0.00 -3.48 2.79 1.74 -1.26 -5.09 116.66 118.95 3hrk n ARG 100 Ca 0.07 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.96 3hrk n ARG 100 Cb 0.47 -0.37 0.06 0.00 -1.02 0.00 0.00 32.46 31.60 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 -3.13 -4.43 -1.35 5.56 5.02 -1.26 -4.91 118.16 113.65 3hrk n LYS 101 Ca 0.00 0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 3hrk n LYS 101 Cb 0.22 -5.50 0.04 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 6.08 -1.15 7.82 0.00 -1.26 -4.76 120.51 123.31 3hrk n ALA 102 Ca -0.21 -3.07 -0.05 0.00 0.00 0.00 0.00 53.44 50.10 3hrk n ALA 102 Cb 0.65 -1.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.26 0.73 3.77 0.00 0.00 -1.26 -3.89 105.19 104.28 3hrk n GLY 103 Ca 0.51 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.93 0.99 0.01 1.61 2.02 -1.26 -4.97 118.70 115.16 3hrk s GLU 104 Ca 0.00 0.29 0.22 0.00 0.02 0.00 0.00 54.97 55.50 3hrk s GLU 104 Cb 0.00 -1.82 -0.13 0.00 0.10 0.00 0.00 34.13 32.28 3hrk s GLU 104 CO 0.00 -2.30 0.87 0.39 0.02 0.00 0.00 175.26 174.23 3hrk n GLU 105 N -3.84 0.26 0.23 1.61 1.02 -1.26 -4.51 120.64 114.15 3hrk n GLU 105 Ca 0.07 -0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 3hrk n GLU 105 Cb 0.59 -1.54 0.29 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.04 -0.43 -3.67 2.10 -1.93 -3.23 117.51 110.40 3hrk h ILE 106 Ca 0.00 -0.94 -0.09 0.00 1.08 0.00 0.00 64.86 64.91 3hrk h ILE 106 Cb 0.70 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 38.31 3hrk h ILE 106 CO 0.00 0.02 -0.10 0.74 -1.08 0.00 0.00 178.15 177.74 3hrk h THR 107 N 0.00 1.25 0.00 2.19 2.02 -1.93 -3.21 112.91 113.24 3hrk h THR 107 Ca -0.00 -1.14 -0.21 0.00 0.77 0.00 0.00 66.41 65.84 3hrk h THR 107 Cb 0.90 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 3hrk h THR 107 CO 0.00 0.39 -1.90 -0.62 0.37 0.00 0.00 175.52 173.76 3hrk n GLU 108 N -4.17 0.65 -0.51 6.66 4.71 -1.25 -4.46 120.64 122.27 3hrk n GLU 108 Ca 0.01 0.05 -0.11 0.00 -0.01 0.00 0.00 57.16 57.10 3hrk n GLU 108 Cb 0.35 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 29.10 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 -2.71 1.26 -4.84 3.49 6.02 -1.21 -4.86 117.38 114.54 3hrk n GLN 109 Ca -0.17 -0.86 -0.25 0.00 -0.01 0.00 0.00 57.00 55.71 3hrk n GLN 109 Cb 0.90 -2.05 -0.15 0.00 1.02 0.00 0.00 30.24 29.96 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 2.98 1.44 -1.16 -1.09 1.75 -1.26 -2.40 119.30 119.56 3hrk s MET 110 Ca 0.30 -0.66 -0.13 0.00 -1.25 0.00 0.00 55.69 53.95 3hrk s MET 110 Cb 0.11 -1.40 0.20 0.00 2.84 0.00 0.00 34.83 36.57 3hrk s MET 110 CO -0.01 0.38 1.32 -0.06 -0.65 0.00 0.00 175.02 176.00 3hrk s PHE 111 N -0.45 3.70 0.03 4.11 0.40 -1.26 -4.76 117.98 119.74 3hrk s PHE 111 Ca 0.07 -2.25 0.02 0.00 -0.60 0.00 0.00 56.93 54.17 3hrk s PHE 111 Cb -0.07 -4.18 -0.04 0.00 0.51 0.00 0.00 43.02 39.24 3hrk s PHE 111 CO -0.01 -1.27 0.03 0.54 0.70 0.00 0.00 175.22 175.21 3hrk s ASN 112 N 2.45 5.28 0.17 1.36 4.22 -1.26 -0.90 114.94 126.25 3hrk s ASN 112 Ca 0.39 -0.01 -0.08 0.00 -2.14 0.00 0.00 52.86 51.01 3hrk s ASN 112 Cb -0.05 -1.39 0.03 0.00 1.28 0.00 0.00 41.25 41.12 3hrk s ASN 112 CO -0.03 0.24 0.41 2.22 -2.04 0.00 0.00 177.10 177.91 3hrk n PHE 113 N 1.03 -1.50 -4.92 1.54 1.16 0.17 -4.97 117.46 109.97 3hrk n PHE 113 Ca -0.12 -0.84 -0.28 0.00 -1.87 0.00 0.00 57.45 54.34 3hrk n PHE 113 Cb 0.52 0.42 -0.16 0.00 -1.61 0.00 0.00 39.48 38.65 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 -2.50 1.57 -0.32 1.97 1.01 -1.26 -0.48 121.20 121.18 3hrk s ILE 114 Ca 0.09 -0.77 0.23 0.00 0.00 0.00 0.00 60.65 60.19 3hrk s ILE 114 Cb -0.02 -1.36 0.10 0.00 0.01 0.00 0.00 42.46 41.19 3hrk s ILE 114 CO 0.05 0.45 1.23 0.00 0.00 0.00 0.00 174.94 176.67 3hrk h THR 115 N 5.42 0.00 0.00 2.92 1.03 -1.94 -3.49 112.91 116.86 3hrk h THR 115 Ca -0.30 -0.97 0.00 0.00 -0.01 0.00 0.00 66.41 65.13 3hrk h THR 115 Cb 1.19 1.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 3hrk h THR 115 CO 0.47 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.27 3hrk n LYS 116 N -2.76 0.00 -2.53 0.00 4.76 -1.26 -4.91 118.16 111.45 3hrk n LYS 116 Ca 0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3hrk n LYS 116 Cb 0.54 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.70 3hrk n LYS 116 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hrk s GLY 117 N 0.00 0.95 0.00 0.72 0.00 -1.26 -3.22 107.32 104.51 3hrk s GLY 117 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3hrk s GLY 117 CO 0.00 2.64 0.00 0.61 0.00 0.00 0.00 173.10 176.35 3hrk n GLY 118 N 5.26 2.51 0.00 0.20 0.00 -1.26 -5.04 105.19 106.86 3hrk n GLY 118 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3hrk n GLY 118 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hrk n HIS 119 N 0.00 0.00 -1.50 1.61 -0.00 -1.20 -5.13 115.22 109.00 3hrk n HIS 119 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 3hrk n HIS 119 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 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 -2.31 2.59 0.29 1.57 1.70 -1.26 -4.17 118.95 117.36 3hrk s ARG 120 Ca 0.00 0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 56.11 3hrk s ARG 120 Cb 0.00 -1.95 -0.00 0.00 -0.57 0.00 0.00 34.95 32.43 3hrk s ARG 120 CO 0.00 -1.34 0.46 0.14 -1.08 0.00 0.00 175.30 173.48 3hrk s VAL 121 N -3.04 0.00 -0.07 4.99 -7.23 0.36 -3.21 120.40 112.21 3hrk s VAL 121 Ca 0.59 -1.52 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 3hrk s VAL 121 Cb -0.15 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.40 3hrk s VAL 121 CO 0.55 0.00 0.63 0.00 -0.31 0.00 0.00 175.10 175.97 3hrk s ALA 122 N -3.52 -1.63 -0.03 1.32 0.00 0.07 -0.66 121.76 117.31 3hrk s ALA 122 Ca 0.27 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 3hrk s ALA 122 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3hrk s ALA 122 CO 0.14 -0.35 0.99 -0.51 0.00 0.00 0.00 175.76 176.03 3hrk s LEU 123 N -1.02 4.33 0.22 0.00 1.43 -0.08 -0.86 118.68 122.70 3hrk s LEU 123 Ca -0.10 1.62 -0.32 0.00 -1.03 0.00 0.00 54.13 54.31 3hrk s LEU 123 Cb -0.01 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.50 3hrk s LEU 123 CO 0.08 -0.32 1.30 -2.11 0.23 0.00 0.00 176.35 175.53 3hrk n ARG 124 N 4.25 1.69 -0.00 1.70 1.85 -0.07 -4.41 116.66 121.66 3hrk n ARG 124 Ca 0.07 0.60 0.10 0.00 -1.00 0.00 0.00 57.85 57.62 3hrk n ARG 124 Cb 0.50 -2.19 -0.12 0.00 -1.05 0.00 0.00 32.46 29.60 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 1.87 0.46 -3.63 2.89 -0.04 -1.25 -0.12 135.00 135.18 3hrk n PRO 125 Ca 0.13 -0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 3hrk n PRO 125 Cb 0.29 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.97 0.91 0.02 0.54 -1.05 -1.26 -4.55 118.70 110.34 3hrk s GLU 126 Ca 0.05 -0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 54.74 3hrk s GLU 126 Cb 0.15 0.42 -0.27 0.00 -0.44 0.00 0.00 34.13 33.98 3hrk s GLU 126 CO 0.82 -0.29 0.91 1.98 0.95 0.00 0.00 175.26 179.62 3hrk h MET 127 N 3.21 0.23 -0.67 -4.83 1.85 -1.94 -3.39 114.93 109.38 3hrk h MET 127 Ca -0.29 -0.40 0.13 0.00 -0.61 0.00 0.00 59.70 58.53 3hrk h MET 127 Cb 1.18 0.15 -0.13 0.00 0.43 0.00 0.00 31.60 33.23 3hrk h MET 127 CO 0.41 1.10 -0.23 1.15 -0.40 0.00 0.00 176.91 178.94 3hrk h THR 128 N 0.06 0.25 -0.66 -0.77 2.02 -1.99 0.35 112.91 112.18 3hrk h THR 128 Ca -0.22 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.03 3hrk h THR 128 Cb 2.00 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3hrk h THR 128 CO 0.16 0.00 0.33 -0.65 0.37 0.00 0.00 175.52 175.74 3hrk h PRO 129 N -0.05 0.58 -0.02 6.66 0.11 -1.96 0.99 132.00 138.31 3hrk h PRO 129 Ca 0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 3hrk h PRO 129 Cb 0.53 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3hrk h PRO 129 CO -0.72 0.39 -0.14 0.77 -0.21 0.00 0.00 178.00 178.09 3hrk h SER 130 N 0.60 0.03 0.19 -2.05 0.02 -0.63 -1.06 113.55 110.64 3hrk h SER 130 Ca 0.31 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3hrk h SER 130 Cb 0.27 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3hrk h SER 130 CO -0.22 0.17 -0.09 0.25 -1.14 0.00 0.00 176.83 175.80 3hrk h LEU 131 N 0.03 -0.21 -1.06 5.07 5.85 0.84 -2.47 115.31 123.36 3hrk h LEU 131 Ca 0.01 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.68 3hrk h LEU 131 Cb 0.26 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 3hrk h LEU 131 CO 0.02 0.08 0.62 0.00 -0.34 0.00 0.00 178.44 178.82 3hrk h ALA 132 N 0.24 1.63 0.52 1.25 0.00 -0.27 0.23 119.26 122.85 3hrk h ALA 132 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hrk h ALA 132 Cb 0.39 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hrk h ALA 132 CO 0.04 0.08 -0.25 -0.09 0.00 0.00 0.00 179.25 179.04 3hrk h ARG 133 N 0.87 -0.67 -0.57 0.00 2.43 -1.13 -0.39 114.38 114.92 3hrk h ARG 133 Ca 0.52 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.82 3hrk h ARG 133 Cb 0.67 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 3hrk h ARG 133 CO -0.29 -0.41 0.19 -0.07 -1.51 0.00 0.00 179.97 177.88 3hrk h LEU 134 N -0.79 0.16 0.28 3.80 4.07 -0.87 0.92 115.31 122.88 3hrk h LEU 134 Ca -0.07 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3hrk h LEU 134 Cb 0.57 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 3hrk h LEU 134 CO 0.12 0.10 -0.31 -0.07 -1.08 0.00 0.00 178.44 177.20 3hrk h LEU 135 N 0.35 -0.85 -1.54 1.67 3.38 -0.41 -1.08 115.31 116.84 3hrk h LEU 135 Ca 0.29 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.47 3hrk h LEU 135 Cb 0.36 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3hrk h LEU 135 CO -0.31 -0.40 0.51 -0.07 0.09 0.00 0.00 178.44 178.27 3hrk h LEU 136 N -0.60 0.43 -0.72 1.67 3.38 -0.96 -0.04 115.31 118.47 3hrk h LEU 136 Ca -0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hrk h LEU 136 Cb 0.52 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3hrk h LEU 136 CO -0.05 0.22 0.47 1.23 0.09 0.00 0.00 178.44 180.40 3hrk h GLY 137 N 0.46 1.02 1.48 0.83 0.00 -0.40 -1.36 103.07 105.10 3hrk h GLY 137 Ca 0.38 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.41 3hrk h GLY 137 CO -0.13 0.34 0.21 1.70 0.00 0.00 0.00 176.54 178.66 3hrk h LYS 138 N 0.94 0.11 0.00 4.80 1.63 0.31 -3.47 116.57 120.89 3hrk h LYS 138 Ca 0.27 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 3hrk h LYS 138 Cb -0.06 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3hrk h LYS 138 CO -0.08 0.08 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 3hrk n GLY 139 N -1.56 2.14 0.26 5.01 0.00 -0.51 -2.34 105.19 108.18 3hrk n GLY 139 Ca 0.04 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 0.03 0.00 1.61 0.11 -1.90 -2.29 114.38 111.95 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 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3hrk h ARG 140 CO 0.00 0.04 0.00 -1.13 0.10 0.00 0.00 179.97 178.98 3hrk n SER 141 N -4.51 0.00 -4.66 0.08 3.41 -0.99 -4.72 113.62 102.22 3hrk n SER 141 Ca -0.03 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.44 3hrk n SER 141 Cb 0.11 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.74 4.18 -0.14 1.04 2.96 -0.86 -5.01 118.68 118.10 3hrk s LEU 142 Ca 0.07 1.64 -0.13 0.00 -0.22 0.00 0.00 54.13 55.49 3hrk s LEU 142 Cb 0.06 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3hrk s LEU 142 CO 0.16 -0.71 0.28 -0.76 -1.32 0.00 0.00 176.35 174.00 3hrk s LEU 143 N 3.24 4.29 0.10 -0.68 1.43 -1.26 -5.02 118.68 120.78 3hrk s LEU 143 Ca 0.52 0.55 0.07 0.00 -1.03 0.00 0.00 54.13 54.24 3hrk s LEU 143 Cb -0.20 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3hrk s LEU 143 CO 0.14 0.16 -0.18 -0.76 0.23 0.00 0.00 176.35 175.94 3hrk s LEU 144 N 0.11 2.32 0.78 1.79 1.43 -1.26 -4.10 118.68 119.75 3hrk s LEU 144 Ca 0.17 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 3hrk s LEU 144 Cb -0.13 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.41 3hrk s LEU 144 CO 0.05 -0.01 1.11 -2.16 0.23 0.00 0.00 176.35 175.57 3hrk s PRO 145 N -2.04 2.10 0.05 1.29 0.04 -1.26 -5.10 135.00 130.08 3hrk s PRO 145 Ca 0.05 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.45 3hrk s PRO 145 Cb -0.09 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 3hrk s PRO 145 CO 0.04 -1.78 -0.19 0.00 0.04 0.00 0.00 177.00 175.11 3hrk s ALA 146 N -2.75 1.63 -0.35 8.56 0.00 0.15 -4.99 121.76 124.01 3hrk s ALA 146 Ca 0.63 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3hrk s ALA 146 Cb -0.19 -0.29 0.11 0.00 0.00 0.00 0.00 23.12 22.75 3hrk s ALA 146 CO 0.54 0.35 0.12 0.15 0.00 0.00 0.00 175.76 176.92 3hrk s LYS 147 N -1.30 1.07 -0.05 0.00 1.02 -1.26 -0.69 119.74 118.53 3hrk s LYS 147 Ca 0.06 -1.52 0.04 0.00 0.02 0.00 0.00 55.97 54.57 3hrk s LYS 147 Cb -0.09 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3hrk s LYS 147 CO 0.02 -1.01 -0.16 -1.58 -0.92 0.00 0.00 175.35 171.70 3hrk s TRP 148 N 1.12 2.65 0.11 3.18 0.52 -0.64 -0.65 118.94 125.24 3hrk s TRP 148 Ca 0.12 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.04 3hrk s TRP 148 Cb -0.19 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 3hrk s TRP 148 CO -0.15 0.14 -0.06 1.52 0.02 0.00 0.00 176.95 178.42 3hrk s TYR 149 N -0.68 0.98 0.05 -1.98 1.13 0.14 -1.47 117.35 115.52 3hrk s TYR 149 Ca 0.10 -0.91 -0.27 0.00 -1.41 0.00 0.00 57.07 54.58 3hrk s TYR 149 Cb -0.11 -0.55 0.07 0.00 -1.10 0.00 0.00 41.96 40.27 3hrk s TYR 149 CO 0.00 -0.13 0.67 0.45 -2.51 0.00 0.00 175.55 174.03 3hrk s SER 150 N -3.08 -0.58 -0.59 -0.18 0.15 -0.16 -0.59 113.70 108.68 3hrk s SER 150 Ca 0.14 0.30 0.06 0.00 0.70 0.00 0.00 55.95 57.16 3hrk s SER 150 Cb 0.05 0.55 0.24 0.00 -1.71 0.00 0.00 66.02 65.15 3hrk s SER 150 CO -0.03 -0.78 0.67 -0.38 1.20 0.00 0.00 173.24 173.92 3hrk n ILE 151 N 0.19 1.56 -3.16 6.45 5.41 -1.26 0.49 119.36 129.04 3hrk n ILE 151 Ca -0.17 -4.89 -0.33 0.00 1.00 0.00 0.00 62.75 58.36 3hrk n ILE 151 Cb 0.61 -2.07 -0.06 0.00 -0.71 0.00 0.00 39.64 37.42 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 -2.06 4.01 0.53 0.38 0.04 -1.18 -4.75 135.00 131.97 3hrk s PRO 152 Ca 0.38 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 3hrk s PRO 152 Cb 0.14 -2.50 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 3hrk s PRO 152 CO -0.05 0.20 1.06 -1.14 0.04 0.00 0.00 177.00 177.11 3hrk s GLN 153 N -2.85 3.56 -0.01 4.56 0.74 -1.26 -1.11 119.66 123.28 3hrk s GLN 153 Ca 0.52 1.34 -0.05 0.00 0.05 0.00 0.00 55.36 57.23 3hrk s GLN 153 Cb -0.11 -2.06 0.00 0.00 1.10 0.00 0.00 33.01 31.94 3hrk s GLN 153 CO 0.18 -0.63 0.10 0.00 -0.55 0.00 0.00 175.29 174.39 3hrk s TRP 155 N -0.87 2.00 -0.16 0.00 0.52 0.84 -1.70 118.94 119.57 3hrk s TRP 155 Ca -0.10 -1.53 0.02 0.00 0.02 0.00 0.00 56.10 54.51 3hrk s TRP 155 Cb -0.06 -1.46 0.01 0.00 -1.15 0.00 0.00 33.47 30.82 3hrk s TRP 155 CO 0.01 -0.74 -0.20 1.03 0.02 0.00 0.00 176.95 177.07 3hrk s ARG 156 N 1.53 3.06 -1.10 4.98 0.52 -1.12 -3.85 118.95 122.96 3hrk s ARG 156 Ca -0.03 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.21 3hrk s ARG 156 Cb -0.18 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.69 3hrk s ARG 156 CO -0.08 -0.06 2.20 0.98 0.02 0.00 0.00 175.30 178.36 3hrk n TYR 157 N 4.23 2.24 -1.46 -0.53 9.36 -1.01 -4.52 117.16 125.47 3hrk n TYR 157 Ca -0.20 -2.33 0.00 0.00 3.32 0.00 0.00 57.90 58.69 3hrk n TYR 157 Cb 0.51 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.20 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 5.59 3.74 -1.15 2.98 2.13 -1.26 -4.74 120.64 127.93 3hrk n GLU 158 Ca 0.53 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 58.19 3hrk n GLU 158 Cb 0.31 0.00 0.15 0.00 0.27 0.00 0.00 31.44 32.17 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 5.05 -0.69 4.31 0.00 -1.26 -4.91 120.51 120.01 3hrk n ALA 159 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.21 3hrk n ALA 159 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.05 0.00 -2.36 0.00 -0.00 -1.03 -4.63 119.36 110.30 3hrk n ILE 160 Ca 0.46 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.91 3hrk n ILE 160 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.75 3hrk n ILE 160 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3hrk s THR 161 N 0.00 4.75 0.00 1.39 -4.23 -1.26 -2.06 115.64 114.23 3hrk s THR 161 Ca 0.00 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 3hrk s THR 161 Cb 0.00 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3hrk s THR 161 CO 0.00 -0.87 0.00 -1.14 -0.54 0.00 0.00 174.62 172.07 3hrk n ARG 162 N -2.13 0.00 -1.68 3.99 0.63 -1.26 -4.65 116.66 111.55 3hrk n ARG 162 Ca 0.04 0.21 -0.32 0.00 -0.92 0.00 0.00 57.85 56.85 3hrk n ARG 162 Cb 0.54 -0.67 0.05 0.00 0.45 0.00 0.00 32.46 32.84 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 2.22 5.98 2.21 5.14 0.00 -1.26 -4.62 105.19 114.85 3hrk n GLY 163 Ca 0.00 -2.46 -0.23 0.00 0.00 0.00 0.00 46.02 43.32 3hrk n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hrk n ARG 164 N -0.78 0.90 -1.41 1.61 5.12 -1.16 -4.35 116.66 116.59 3hrk n ARG 164 Ca 0.55 -3.36 -0.31 0.00 -1.93 0.00 0.00 57.85 52.81 3hrk n ARG 164 Cb 0.68 -1.37 0.08 0.00 -1.16 0.00 0.00 32.46 30.69 3hrk n ARG 164 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hrk s ARG 165 N -1.50 2.36 0.13 5.56 0.52 -0.88 -2.45 118.95 122.69 3hrk s ARG 165 Ca 0.36 0.96 0.15 0.00 -0.52 0.00 0.00 55.73 56.68 3hrk s ARG 165 Cb 0.20 -1.92 0.67 0.00 0.52 0.00 0.00 34.95 34.42 3hrk s ARG 165 CO -0.10 -1.51 1.45 0.54 0.02 0.00 0.00 175.30 175.70 3hrk n ARG 166 N -3.41 0.08 -3.87 3.54 1.74 -1.07 -4.55 116.66 109.11 3hrk n ARG 166 Ca 0.08 0.43 -0.11 0.00 -0.77 0.00 0.00 57.85 57.48 3hrk n ARG 166 Cb 0.54 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.19 0.29 -0.07 5.56 -6.30 -1.25 -2.81 118.70 110.92 3hrk s GLU 167 Ca 0.03 -0.18 -0.30 0.00 -2.50 0.00 0.00 54.97 52.02 3hrk s GLU 167 Cb 0.06 0.12 0.07 0.00 0.00 0.00 0.00 34.13 34.38 3hrk s GLU 167 CO 0.22 -0.06 0.67 -3.38 0.02 0.00 0.00 175.26 172.73 3hrk s HIS 168 N -0.73 -0.66 0.22 5.30 -3.43 -0.69 -4.87 115.29 110.44 3hrk s HIS 168 Ca -0.08 1.18 -0.15 0.00 -0.80 0.00 0.00 55.06 55.21 3hrk s HIS 168 Cb -0.05 0.38 -0.08 0.00 -1.43 0.00 0.00 32.58 31.41 3hrk s HIS 168 CO 0.00 -0.58 0.63 0.71 -2.00 0.00 0.00 174.74 173.51 3hrk s TYR 169 N -1.03 3.52 -0.10 0.38 2.02 -1.26 0.02 117.35 120.90 3hrk s TYR 169 Ca -0.10 1.13 -0.03 0.00 -0.37 0.00 0.00 57.07 57.70 3hrk s TYR 169 Cb -0.01 -2.44 0.05 0.00 -0.40 0.00 0.00 41.96 39.16 3hrk s TYR 169 CO 0.09 0.29 0.12 -1.14 -1.57 0.00 0.00 175.55 173.34 3hrk s GLN 170 N -2.40 0.02 -0.42 -0.62 0.74 -0.27 -1.69 119.66 115.02 3hrk s GLN 170 Ca 0.45 0.30 -0.29 0.00 0.05 0.00 0.00 55.36 55.87 3hrk s GLN 170 Cb -0.13 -0.84 0.02 0.00 1.10 0.00 0.00 33.01 33.16 3hrk s GLN 170 CO 0.20 -0.44 1.19 -0.46 -0.55 0.00 0.00 175.29 175.22 3hrk s TRP 171 N 2.22 2.80 -0.24 1.67 -0.00 0.31 -3.10 118.94 122.59 3hrk s TRP 171 Ca 0.04 0.82 -0.10 0.00 -0.00 0.00 0.00 56.10 56.86 3hrk s TRP 171 Cb -0.13 -4.22 -0.05 0.00 -0.00 0.00 0.00 33.47 29.07 3hrk s TRP 171 CO -0.06 -1.33 0.15 -0.80 -0.00 0.00 0.00 176.95 174.90 3hrk s ASN 172 N 2.57 5.95 -0.13 5.86 -0.87 0.18 -1.54 114.94 126.96 3hrk s ASN 172 Ca 0.50 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.85 3hrk s ASN 172 Cb -0.10 -2.08 -0.01 0.00 -0.02 0.00 0.00 41.25 39.04 3hrk s ASN 172 CO 0.28 0.04 -0.14 -0.04 -2.57 0.00 0.00 177.10 174.67 3hrk s MET 173 N 1.18 3.33 -0.02 -0.60 -1.94 -0.94 -0.99 119.30 119.34 3hrk s MET 173 Ca 0.07 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 3hrk s MET 173 Cb -0.14 -2.59 0.02 0.00 2.01 0.00 0.00 34.83 34.12 3hrk s MET 173 CO 0.05 0.19 0.00 -0.51 -0.01 0.00 0.00 175.02 174.75 3hrk s ASP 174 N 0.40 0.20 -0.17 3.03 1.11 -0.55 -0.59 116.67 120.11 3hrk s ASP 174 Ca -0.11 -0.00 -0.05 0.00 0.18 0.00 0.00 52.55 52.56 3hrk s ASP 174 Cb -0.16 -0.10 -0.03 0.00 1.07 0.00 0.00 42.92 43.70 3hrk s ASP 174 CO 0.06 -0.07 0.01 -0.63 1.18 0.00 0.00 175.17 175.72 3hrk s ILE 175 N 0.64 4.28 -0.11 0.77 1.01 0.12 -1.63 121.20 126.28 3hrk s ILE 175 Ca -0.06 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3hrk s ILE 175 Cb -0.09 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.49 3hrk s ILE 175 CO -0.02 0.47 -0.18 -0.69 0.00 0.00 0.00 174.94 174.52 3hrk s VAL 176 N 0.43 1.71 0.00 2.92 1.01 0.14 -1.08 120.40 125.52 3hrk s VAL 176 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3hrk s VAL 176 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hrk s VAL 176 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3hrk n GLY 177 N 3.96 1.19 3.08 4.51 0.00 0.12 -0.67 105.19 117.37 3hrk n GLY 177 Ca -0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 1.80 -0.02 1.61 1.01 -1.25 -4.52 120.40 117.03 3hrk s VAL 178 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 3hrk s VAL 178 Cb 0.00 -1.65 -0.25 0.00 0.00 0.00 0.00 36.38 34.49 3hrk s VAL 178 CO 0.00 0.50 1.04 0.11 0.00 0.00 0.00 175.10 176.75 3hrk h LYS 179 N 7.82 0.32 -7.58 2.72 1.57 -1.98 -3.42 116.57 116.02 3hrk h LYS 179 Ca -0.39 -0.37 -0.47 0.00 -1.87 0.00 0.00 60.65 57.55 3hrk h LYS 179 Cb 1.15 0.11 0.11 0.00 0.08 0.00 0.00 32.23 33.68 3hrk h LYS 179 CO 0.57 1.08 0.38 -1.54 -0.57 0.00 0.00 179.45 179.36 3hrk s SER 180 N -6.66 4.19 0.24 0.86 1.04 -1.26 -4.94 113.70 107.16 3hrk s SER 180 Ca -0.14 0.83 0.23 0.00 0.48 0.00 0.00 55.95 57.35 3hrk s SER 180 Cb 0.02 -1.34 0.95 0.00 0.10 0.00 0.00 66.02 65.75 3hrk s SER 180 CO 0.80 -2.11 1.69 1.33 0.98 0.00 0.00 173.24 175.93 3hrk n VAL 181 N -3.46 0.84 -0.32 5.02 0.24 -1.26 -2.76 118.33 116.63 3hrk n VAL 181 Ca 0.08 0.23 0.31 0.00 -2.04 0.00 0.00 64.34 62.92 3hrk n VAL 181 Cb 0.60 -1.15 0.57 0.00 -1.47 0.00 0.00 33.84 32.39 3hrk n VAL 181 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3hrk h SER 182 N 0.00 0.28 0.13 -1.34 0.02 -1.95 -0.78 113.55 109.91 3hrk h SER 182 Ca 0.00 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3hrk h SER 182 Cb 0.35 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3hrk h SER 182 CO 0.00 -0.43 -0.06 0.00 -1.14 0.00 0.00 176.83 175.20 3hrk h ALA 183 N 2.00 -0.99 -0.98 3.77 0.00 -1.87 -2.43 119.26 118.76 3hrk h ALA 183 Ca 0.83 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.96 3hrk h ALA 183 Cb 2.18 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.86 3hrk h ALA 183 CO -0.78 -0.97 -0.02 0.93 0.00 0.00 0.00 179.25 178.41 3hrk h GLU 184 N -0.19 0.01 0.04 0.00 3.07 -1.59 0.71 114.58 116.63 3hrk h GLU 184 Ca -0.02 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3hrk h GLU 184 Cb 0.14 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3hrk h GLU 184 CO 0.03 0.01 -0.38 0.28 -1.40 0.00 0.00 179.01 177.55 3hrk h VAL 185 N 0.01 0.00 -0.63 3.13 2.07 -1.16 0.46 116.25 120.14 3hrk h VAL 185 Ca 0.57 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.17 3hrk h VAL 185 Cb 1.12 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 3hrk h VAL 185 CO -0.93 0.00 -0.49 -0.08 0.02 0.00 0.00 177.57 176.10 3hrk h GLU 186 N -0.50 -0.21 -0.37 1.57 4.57 -0.63 0.29 114.58 119.30 3hrk h GLU 186 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3hrk h GLU 186 Cb 0.52 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 3hrk h GLU 186 CO -0.23 -0.14 0.02 -0.07 -1.18 0.00 0.00 179.01 177.40 3hrk h LEU 187 N -0.22 -0.12 -0.54 1.64 3.38 -0.15 0.23 115.31 119.53 3hrk h LEU 187 Ca 0.16 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3hrk h LEU 187 Cb 0.55 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3hrk h LEU 187 CO -0.72 -0.02 0.06 0.58 0.09 0.00 0.00 178.44 178.43 3hrk h VAL 188 N 0.12 1.26 -0.21 1.22 2.07 0.49 -1.82 116.25 119.38 3hrk h VAL 188 Ca 0.18 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hrk h VAL 188 Cb 0.24 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3hrk h VAL 188 CO -0.28 0.36 0.13 0.00 0.02 0.00 0.00 177.57 177.80 3hrk h ALA 190 N 1.86 0.82 -0.20 0.00 0.00 0.25 -0.96 119.26 121.04 3hrk h ALA 190 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hrk h ALA 190 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hrk h ALA 190 CO -0.02 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.92 3hrk h ALA 191 N 1.03 0.25 0.20 0.00 0.00 -1.00 -2.36 119.26 117.37 3hrk h ALA 191 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hrk h ALA 191 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hrk h ALA 191 CO 0.01 -0.24 -0.32 0.00 0.00 0.00 0.00 179.25 178.70 3hrk h TRP 193 N -0.59 -0.86 -0.47 0.00 -0.00 -1.14 0.29 115.95 113.17 3hrk h TRP 193 Ca 0.01 0.05 0.08 0.00 -0.00 0.00 0.00 58.89 59.03 3hrk h TRP 193 Cb 0.59 0.43 -0.10 0.00 -0.00 0.00 0.00 29.16 30.08 3hrk h TRP 193 CO -0.25 -0.38 -0.42 0.00 -0.00 0.00 0.00 178.44 177.40 3hrk h ALA 194 N 0.71 -0.35 -0.07 2.65 0.00 -1.03 0.77 119.26 121.94 3hrk h ALA 194 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hrk h ALA 194 Cb 0.53 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3hrk h ALA 194 CO -0.49 -0.83 0.04 0.52 0.00 0.00 0.00 179.25 178.49 3hrk h MET 195 N -0.28 0.08 -0.78 0.00 2.86 0.08 -0.14 114.93 116.75 3hrk h MET 195 Ca 0.16 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.92 3hrk h MET 195 Cb 0.57 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.13 3hrk h MET 195 CO -0.61 0.05 0.38 -0.09 1.06 0.00 0.00 176.91 177.70 3hrk h ARG 196 N 0.08 0.56 -0.95 1.72 9.65 0.36 0.24 114.38 126.04 3hrk h ARG 196 Ca 0.03 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3hrk h ARG 196 Cb -0.00 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 3hrk h ARG 196 CO -0.02 0.37 0.62 0.77 2.80 0.00 0.00 179.97 184.52 3hrk h SER 197 N 0.58 1.04 0.62 -3.80 0.02 0.20 -0.68 113.55 111.52 3hrk h SER 197 Ca 0.41 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3hrk h SER 197 Cb 0.54 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3hrk h SER 197 CO -0.34 0.72 0.00 0.18 -1.14 0.00 0.00 176.83 176.25 3hrk n LEU 198 N -4.43 0.08 0.00 5.07 4.77 0.01 -4.86 117.00 117.64 3hrk n LEU 198 Ca 0.12 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3hrk n LEU 198 Cb 0.09 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3hrk n LEU 198 CO 0.35 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3hrk n GLY 199 N 0.26 1.43 4.00 -0.72 0.00 -0.26 -4.99 105.19 104.90 3hrk n GLY 199 Ca 0.04 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 3.29 0.23 0.99 1.43 -0.81 -5.00 118.68 118.81 3hrk s LEU 200 Ca 0.00 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3hrk s LEU 200 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3hrk s LEU 200 CO 0.00 -1.07 0.23 -0.94 0.23 0.00 0.00 176.35 174.80 3hrk s SER 201 N -4.49 0.28 0.49 2.29 1.04 -1.26 -4.23 113.70 107.82 3hrk s SER 201 Ca 0.56 -1.33 0.19 0.00 0.48 0.00 0.00 55.95 55.85 3hrk s SER 201 Cb -0.07 0.45 1.24 0.00 0.10 0.00 0.00 66.02 67.75 3hrk s SER 201 CO 0.35 -0.95 2.02 0.77 0.98 0.00 0.00 173.24 176.41 3hrk h SER 202 N 2.47 0.13 1.16 7.02 4.64 -1.91 -1.77 113.55 125.29 3hrk h SER 202 Ca -0.33 0.00 -0.02 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 63.31 3hrk h SER 202 CO 0.47 0.08 -0.08 0.11 -0.87 0.00 0.00 176.83 176.54 3hrk h LYS 203 N 0.15 0.00 0.09 4.77 6.56 -1.96 -3.24 116.57 122.94 3hrk h LYS 203 Ca 0.22 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.45 3hrk h LYS 203 Cb 0.66 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.29 3hrk h LYS 203 CO -0.03 0.08 -2.03 -0.25 -2.06 0.00 0.00 179.45 175.16 3hrk n ASP 204 N -3.19 1.85 -3.97 0.86 8.00 -0.70 -4.71 116.55 114.69 3hrk n ASP 204 Ca 0.01 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.53 3hrk n ASP 204 Cb 0.39 -0.62 -0.15 0.00 -0.02 0.00 0.00 41.12 40.72 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 0.48 0.32 2.53 1.01 -0.97 -0.68 120.40 120.53 3hrk s VAL 205 Ca -0.21 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3hrk s VAL 205 Cb 0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 3hrk s VAL 205 CO 0.76 0.14 -0.01 -0.83 0.00 0.00 0.00 175.10 175.16 3hrk s GLY 206 N -0.10 2.03 -0.16 4.51 0.00 0.20 -4.38 107.32 109.42 3hrk s GLY 206 Ca 0.02 -2.03 -0.01 0.00 0.00 0.00 0.00 44.72 42.70 3hrk s GLY 206 CO -0.00 -1.88 -0.05 -0.42 0.00 0.00 0.00 173.10 170.75 3hrk s ILE 207 N -3.06 1.09 0.16 0.90 1.01 -0.05 -0.50 121.20 120.74 3hrk s ILE 207 Ca 0.33 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 3hrk s ILE 207 Cb 0.07 -1.27 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 3hrk s ILE 207 CO 0.14 0.14 0.67 -0.54 0.00 0.00 0.00 174.94 175.35 3hrk s LYS 208 N 1.64 4.28 0.03 2.79 1.02 -0.55 -1.86 119.74 127.10 3hrk s LYS 208 Ca 0.01 0.86 0.04 0.00 0.02 0.00 0.00 55.97 56.89 3hrk s LYS 208 Cb -0.15 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3hrk s LYS 208 CO -0.08 0.52 -0.11 0.08 -0.92 0.00 0.00 175.35 174.85 3hrk s VAL 209 N -1.30 0.84 0.20 3.17 1.01 -0.12 -2.29 120.40 121.91 3hrk s VAL 209 Ca 0.36 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 3hrk s VAL 209 Cb -0.19 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.46 3hrk s VAL 209 CO 0.21 -0.05 0.87 0.21 0.00 0.00 0.00 175.10 176.34 3hrk s ASN 210 N -1.02 -0.21 -0.10 3.32 3.84 -0.49 -1.61 114.94 118.67 3hrk s ASN 210 Ca -0.01 -0.48 0.02 0.00 0.21 0.00 0.00 52.86 52.60 3hrk s ASN 210 Cb -0.07 0.58 0.01 0.00 -0.55 0.00 0.00 41.25 41.22 3hrk s ASN 210 CO 0.01 -1.08 -0.16 -0.55 -2.79 0.00 0.00 177.10 172.53 3hrk s SER 211 N -2.93 2.40 0.31 -4.21 0.15 -1.26 0.21 113.70 108.37 3hrk s SER 211 Ca 0.12 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.59 3hrk s SER 211 Cb -0.03 -1.09 1.12 0.00 -1.71 0.00 0.00 66.02 64.32 3hrk s SER 211 CO 0.04 0.04 1.73 0.03 1.20 0.00 0.00 173.24 176.29 3hrk h ARG 212 N 7.20 0.00 -0.55 5.44 3.08 -0.77 -2.82 114.38 125.98 3hrk h ARG 212 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3hrk h ARG 212 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3hrk h ARG 212 CO 0.48 0.00 0.25 0.87 -1.07 0.00 0.00 179.97 180.50 3hrk h LYS 213 N 0.00 0.80 -0.74 0.04 1.57 -1.76 0.21 116.57 116.69 3hrk h LYS 213 Ca 0.00 -0.13 0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3hrk h LYS 213 Cb 0.23 -0.14 -0.13 0.00 0.08 0.00 0.00 32.23 32.27 3hrk h LYS 213 CO 0.00 0.67 -0.09 0.28 -0.57 0.00 0.00 179.45 179.74 3hrk h VAL 214 N 0.74 0.30 0.39 0.50 2.07 -1.89 0.33 116.25 118.69 3hrk h VAL 214 Ca 0.19 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3hrk h VAL 214 Cb 0.15 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3hrk h VAL 214 CO -0.02 0.01 -0.19 0.25 0.02 0.00 0.00 177.57 177.64 3hrk h LEU 215 N 0.05 -0.44 -1.28 2.57 7.12 -1.65 -2.89 115.31 118.78 3hrk h LEU 215 Ca 0.38 -0.12 0.39 0.00 0.13 0.00 0.00 57.88 58.65 3hrk h LEU 215 Cb 0.63 0.11 -0.13 0.00 -0.53 0.00 0.00 40.66 40.74 3hrk h LEU 215 CO -0.71 -0.03 0.74 -0.61 -0.13 0.00 0.00 178.44 177.70 3hrk h GLN 216 N -0.96 0.17 0.63 1.25 4.15 0.37 0.41 115.11 121.13 3hrk h GLN 216 Ca -0.05 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 3hrk h GLN 216 Cb 0.54 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.20 3hrk h GLN 216 CO 0.09 0.11 -0.30 1.15 -1.93 0.00 0.00 178.83 177.94 3hrk h THR 217 N 0.17 0.00 -0.72 2.39 2.02 -0.41 -2.33 112.91 114.03 3hrk h THR 217 Ca 0.77 -0.09 0.15 0.00 0.77 0.00 0.00 66.41 68.02 3hrk h THR 217 Cb 2.20 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.48 3hrk h THR 217 CO -0.47 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 175.91 3hrk h VAL 218 N -0.94 0.32 0.85 3.16 2.07 -0.02 0.27 116.25 121.96 3hrk h VAL 218 Ca -0.09 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3hrk h VAL 218 Cb 0.65 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hrk h VAL 218 CO 0.14 0.01 -0.41 0.58 0.02 0.00 0.00 177.57 177.91 3hrk h VAL 219 N 0.05 0.13 -0.99 2.57 2.07 -1.33 -2.35 116.25 116.39 3hrk h VAL 219 Ca 0.37 -0.06 0.28 0.00 0.82 0.00 0.00 66.70 68.11 3hrk h VAL 219 Cb 0.61 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3hrk h VAL 219 CO -0.69 0.00 0.70 -0.08 0.02 0.00 0.00 177.57 177.52 3hrk h GLU 220 N -1.19 0.06 -0.21 1.57 4.81 -0.69 -1.55 114.58 117.38 3hrk h GLU 220 Ca -0.12 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 3hrk h GLU 220 Cb 0.88 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.25 3hrk h GLU 220 CO 0.19 0.04 -0.69 1.96 -0.73 0.00 0.00 179.01 179.78 3hrk h GLN 221 N 0.06 0.83 -7.41 1.92 4.20 -0.18 -3.43 115.11 111.10 3hrk h GLN 221 Ca 0.48 -0.62 -0.49 0.00 0.06 0.00 0.00 58.65 58.08 3hrk h GLN 221 Cb 1.81 0.11 0.10 0.00 0.30 0.00 0.00 27.48 29.80 3hrk h GLN 221 CO -0.04 1.24 0.36 0.00 -0.67 0.00 0.00 178.83 179.72 3hrk s ALA 222 N -3.89 2.51 -1.48 3.87 0.00 -0.58 -4.96 121.76 117.22 3hrk s ALA 222 Ca -0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 3hrk s ALA 222 Cb 0.09 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3hrk s ALA 222 CO 0.90 -1.46 2.56 0.41 0.00 0.00 0.00 175.76 178.17 3hrk n GLY 223 N -2.32 4.59 2.89 0.00 0.00 -1.26 -4.81 105.19 104.28 3hrk n GLY 223 Ca 0.07 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 1.30 1.19 0.03 1.61 -7.23 -1.26 -5.13 120.40 110.91 3hrk s VAL 224 Ca 0.58 -0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 59.92 3hrk s VAL 224 Cb 0.16 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 3hrk s VAL 224 CO -0.07 0.05 0.08 0.35 -0.31 0.00 0.00 175.10 175.20 3hrk n THR 225 N 4.83 0.26 0.20 5.32 -2.24 -1.26 -4.43 114.28 116.96 3hrk n THR 225 Ca -0.12 -0.07 0.17 0.00 -2.27 0.00 0.00 64.05 61.76 3hrk n THR 225 Cb 0.47 0.00 0.82 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.16 0.00 0.00 3.42 4.64 -1.98 -2.85 113.55 116.95 3hrk h SER 226 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hrk h SER 226 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hrk h SER 226 CO 0.08 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.37 3hrk n ASP 227 N -3.87 0.00 -0.33 4.97 4.64 -1.26 -0.34 116.55 120.36 3hrk n ASP 227 Ca 0.02 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.54 3hrk n ASP 227 Cb 0.32 0.00 0.52 0.00 -1.04 0.00 0.00 41.12 40.91 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 -1.91 1.44 0.25 -0.67 5.02 -1.07 -4.50 118.16 116.71 3hrk n LYS 228 Ca 0.00 -0.65 -0.12 0.00 -2.02 0.00 0.00 58.31 55.51 3hrk n LYS 228 Cb 0.00 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.40 -0.64 -0.63 2.13 3.57 -0.86 -2.62 116.94 119.29 3hrk h PHE 229 Ca 0.00 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.62 3hrk h PHE 229 Cb 0.30 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.15 3hrk h PHE 229 CO 0.05 -0.34 -0.01 0.00 -2.23 0.00 0.00 178.31 175.78 3hrk h ALA 230 N -0.98 0.61 -0.98 2.41 0.00 -1.79 0.37 119.26 118.90 3hrk h ALA 230 Ca -0.07 0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3hrk h ALA 230 Cb 0.58 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 3hrk h ALA 230 CO 0.12 -0.40 0.59 -1.35 0.00 0.00 0.00 179.25 178.20 3hrk h PRO 231 N 0.11 0.75 -0.84 0.00 0.11 -1.67 -0.94 132.00 129.51 3hrk h PRO 231 Ca 0.33 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 3hrk h PRO 231 Cb 0.53 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.43 3hrk h PRO 231 CO -0.55 0.50 0.45 0.28 -0.21 0.00 0.00 178.00 178.47 3hrk h VAL 232 N 0.77 1.25 -0.51 3.15 2.07 0.08 0.34 116.25 123.40 3hrk h VAL 232 Ca 0.55 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3hrk h VAL 232 Cb 0.81 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3hrk h VAL 232 CO -0.37 0.28 0.26 0.00 0.02 0.00 0.00 177.57 177.76 3hrk h VAL 234 N 0.71 1.26 0.70 0.00 2.07 -0.65 -2.68 116.25 117.66 3hrk h VAL 234 Ca 0.18 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3hrk h VAL 234 Cb 0.06 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3hrk h VAL 234 CO -0.03 0.21 -0.34 0.40 0.02 0.00 0.00 177.57 177.84 3hrk h ILE 235 N -0.23 0.30 -0.16 4.57 2.04 -0.51 -3.12 117.51 120.40 3hrk h ILE 235 Ca 0.01 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3hrk h ILE 235 Cb 0.34 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3hrk h ILE 235 CO 0.00 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.90 3hrk h VAL 236 N -0.96 0.58 0.00 1.67 2.07 0.48 -0.59 116.25 119.50 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 0.73 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3hrk h VAL 236 CO 0.16 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 0.39 0.57 3.58 -1.41 -2.73 116.42 116.82 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 -4.09 0.18 -0.29 0.28 5.02 -0.23 -3.79 118.16 115.23 3hrk n LYS 238 Ca -0.03 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 3hrk n LYS 238 Cb 0.17 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.78 3hrk n LYS 238 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3hrk h MET 239 N 0.00 0.97 0.28 1.97 2.86 -1.66 0.28 114.93 119.63 3hrk h MET 239 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hrk h MET 239 Cb 0.20 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3hrk h MET 239 CO 0.00 0.64 -0.28 0.93 1.06 0.00 0.00 176.91 179.26 3hrk h GLU 240 N 1.00 -0.57 -0.14 1.72 3.07 -1.84 -3.28 114.58 114.53 3hrk h GLU 240 Ca 0.32 0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 3hrk h GLU 240 Cb -0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3hrk h GLU 240 CO -0.11 -0.38 -0.16 1.57 -1.40 0.00 0.00 179.01 178.53 3hrk h LYS 241 N -0.59 0.23 -4.31 2.33 2.10 -1.40 -3.46 116.57 111.47 3hrk h LYS 241 Ca -0.01 -0.06 -0.21 0.00 -2.00 0.00 0.00 60.65 58.37 3hrk h LYS 241 Cb 0.54 -0.03 -0.13 0.00 -0.90 0.00 0.00 32.23 31.72 3hrk h LYS 241 CO -0.06 0.40 -0.43 0.96 -2.00 0.00 0.00 179.45 178.32 3hrk s ILE 242 N -4.67 0.00 0.63 0.07 -4.36 0.86 -5.13 121.20 108.61 3hrk s ILE 242 Ca -0.05 -1.80 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 3hrk s ILE 242 Cb 0.15 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3hrk s ILE 242 CO 0.74 0.00 1.03 -2.16 0.24 0.00 0.00 174.94 174.79 3hrk s PRO 243 N -3.97 3.47 0.35 0.37 0.04 -1.26 -4.51 135.00 129.49 3hrk s PRO 243 Ca 0.34 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.23 3hrk s PRO 243 Cb 0.04 -2.06 0.64 0.00 0.04 0.00 0.00 34.50 33.15 3hrk s PRO 243 CO 0.13 -0.67 1.98 0.07 0.04 0.00 0.00 177.00 178.55 3hrk h ARG 244 N -0.27 0.74 -0.17 4.56 -0.00 -1.97 -2.78 114.38 114.50 3hrk h ARG 244 Ca -0.44 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.98 59.38 3hrk h ARG 244 Cb 1.19 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 31.00 3hrk h ARG 244 CO 0.61 0.54 -0.26 0.93 -0.00 0.00 0.00 179.97 181.79 3hrk h GLU 245 N 0.75 0.30 0.03 0.08 3.07 -1.98 -1.16 114.58 115.67 3hrk h GLU 245 Ca 0.19 -0.11 -0.22 0.00 -0.50 0.00 0.00 59.36 58.73 3hrk h GLU 245 Cb 0.02 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3hrk h GLU 245 CO -0.03 0.55 -1.01 1.49 -1.40 0.00 0.00 179.01 178.61 3hrk h GLU 246 N 0.27 0.08 0.66 2.33 4.81 -1.88 -0.33 114.58 120.52 3hrk h GLU 246 Ca 0.04 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3hrk h GLU 246 Cb 0.61 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.04 3hrk h GLU 246 CO 0.04 1.01 -0.32 0.28 -0.73 0.00 0.00 179.01 179.30 3hrk h VAL 247 N 0.03 0.18 -0.71 0.32 2.07 -1.51 -2.43 116.25 114.21 3hrk h VAL 247 Ca -0.04 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.40 3hrk h VAL 247 Cb 1.73 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3hrk h VAL 247 CO 0.14 0.02 0.54 -0.33 0.02 0.00 0.00 177.57 177.96 3hrk h GLU 248 N -1.12 0.00 -0.13 1.57 5.08 -1.21 0.65 114.58 119.41 3hrk h GLU 248 Ca -0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3hrk h GLU 248 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3hrk h GLU 248 CO 0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.97 3hrk h ALA 249 N 1.59 0.20 0.00 3.43 0.00 -0.98 -2.48 119.26 121.02 3hrk h ALA 249 Ca 0.34 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3hrk h ALA 249 Cb 1.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3hrk h ALA 249 CO -0.00 0.13 -0.27 1.96 0.00 0.00 0.00 179.25 181.06 3hrk h GLN 250 N -0.04 0.00 0.00 0.00 4.20 -0.40 -1.19 115.11 117.69 3hrk h GLN 250 Ca 0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.48 3hrk h GLN 250 Cb 0.75 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.54 3hrk h GLN 250 CO 0.04 0.27 -0.99 -0.07 -0.67 0.00 0.00 178.83 177.41 3hrk h LEU 251 N 0.00 0.71 -1.34 1.46 3.38 -1.31 -0.90 115.31 117.31 3hrk h LEU 251 Ca -0.00 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 3hrk h LEU 251 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3hrk h LEU 251 CO 0.04 1.37 0.10 0.00 0.09 0.00 0.00 178.44 180.04 3hrk h ALA 252 N 0.59 1.48 -0.18 1.53 0.00 -1.22 -2.51 119.26 118.95 3hrk h ALA 252 Ca -0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3hrk h ALA 252 Cb 1.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3hrk h ALA 252 CO 0.18 0.39 -0.39 0.28 0.00 0.00 0.00 179.25 179.71 3hrk h VAL 253 N 0.54 1.30 0.00 0.00 2.07 -0.97 -1.85 116.25 117.34 3hrk h VAL 253 Ca 0.13 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3hrk h VAL 253 Cb 0.19 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3hrk h VAL 253 CO -0.01 0.47 0.00 -0.11 0.02 0.00 0.00 177.57 177.94 3hrk n LEU 254 N -4.03 0.00 0.00 2.57 7.94 -0.36 -4.83 117.00 118.28 3hrk n LEU 254 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3hrk n LEU 254 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3hrk n LEU 254 CO 0.43 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 3hrk n GLY 255 N 0.15 2.37 3.73 -3.96 0.00 -0.69 -5.06 105.19 101.72 3hrk n GLY 255 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 3.55 0.88 0.99 1.02 -0.98 -4.94 118.68 119.20 3hrk s LEU 256 Ca 0.00 2.59 -0.12 0.00 0.02 0.00 0.00 54.13 56.62 3hrk s LEU 256 Cb 0.00 -4.61 0.12 0.00 0.02 0.00 0.00 46.19 41.71 3hrk s LEU 256 CO 0.00 -2.02 1.10 -1.61 0.02 0.00 0.00 176.35 173.84 3hrk s GLU 257 N -3.43 1.43 0.16 1.70 8.01 -1.26 -4.28 118.70 121.03 3hrk s GLU 257 Ca 0.82 0.70 -0.10 0.00 0.01 0.00 0.00 54.97 56.39 3hrk s GLU 257 Cb -0.36 -1.84 0.01 0.00 -4.31 0.00 0.00 34.13 27.63 3hrk s GLU 257 CO 0.40 -2.09 1.56 -1.35 0.01 0.00 0.00 175.26 173.79 3hrk h PRO 258 N -1.43 1.01 -0.15 0.39 0.11 -1.98 -2.32 132.00 127.64 3hrk h PRO 258 Ca -0.49 -0.42 -0.08 0.00 0.11 0.00 0.00 66.00 65.12 3hrk h PRO 258 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hrk h PRO 258 CO 0.57 1.10 -0.28 1.79 -0.21 0.00 0.00 178.00 180.97 3hrk h THR 259 N 0.87 1.25 -0.03 -1.15 1.35 -1.99 0.22 112.91 113.43 3hrk h THR 259 Ca 0.12 -1.20 -0.22 0.00 -0.55 0.00 0.00 66.41 64.56 3hrk h THR 259 Cb 0.77 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3hrk h THR 259 CO 0.06 0.37 -0.88 1.62 -0.25 0.00 0.00 175.52 176.44 3hrk h VAL 260 N 0.24 1.38 -0.53 6.82 3.04 -1.96 -2.81 116.25 122.43 3hrk h VAL 260 Ca 0.04 -2.32 0.03 0.00 -1.01 0.00 0.00 66.70 63.44 3hrk h VAL 260 Cb 0.62 2.30 -0.04 0.00 -2.01 0.00 0.00 31.29 32.17 3hrk h VAL 260 CO 0.04 0.70 0.30 0.58 -1.01 0.00 0.00 177.57 178.19 3hrk h VAL 261 N 0.28 1.02 0.01 1.51 2.07 -0.77 -2.37 116.25 118.00 3hrk h VAL 261 Ca -0.07 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3hrk h VAL 261 Cb 1.50 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3hrk h VAL 261 CO 0.16 0.11 -0.30 0.44 0.02 0.00 0.00 177.57 177.99 3hrk h ASP 262 N 0.59 -0.89 -0.76 0.57 3.32 -0.59 -1.71 116.42 116.94 3hrk h ASP 262 Ca 0.22 0.12 0.17 0.00 0.02 0.00 0.00 57.03 57.56 3hrk h ASP 262 Cb 0.07 0.36 -0.11 0.00 0.22 0.00 0.00 39.33 39.86 3hrk h ASP 262 CO -0.12 -0.37 0.20 0.00 -1.72 0.00 0.00 179.24 177.24 3hrk h ALA 263 N 0.29 1.02 0.38 3.45 0.00 -1.28 -0.07 119.26 123.06 3hrk h ALA 263 Ca 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hrk h ALA 263 Cb 0.54 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hrk h ALA 263 CO -0.25 -0.34 -0.18 0.82 0.00 0.00 0.00 179.25 179.30 3hrk h ILE 264 N 0.28 0.63 -0.78 0.00 2.04 -1.01 -0.57 117.51 118.11 3hrk h ILE 264 Ca 0.44 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 66.25 3hrk h ILE 264 Cb 0.77 0.73 -0.14 0.00 -0.74 0.00 0.00 36.82 37.44 3hrk h ILE 264 CO -0.52 0.04 -0.30 0.74 0.00 0.00 0.00 178.15 178.11 3hrk h THR 265 N -0.62 0.13 0.05 -0.27 2.02 -0.51 -0.86 112.91 112.86 3hrk h THR 265 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3hrk h THR 265 Cb 0.45 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3hrk h THR 265 CO 0.09 0.00 -0.10 0.74 0.37 0.00 0.00 175.52 176.62 3hrk h THR 266 N -0.06 0.76 -0.15 3.16 2.02 -0.73 -2.51 112.91 115.40 3hrk h THR 266 Ca 0.32 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 3hrk h THR 266 Cb 0.58 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 3hrk h THR 266 CO -0.82 0.00 -0.14 0.71 0.37 0.00 0.00 175.52 175.63 3hrk h THR 267 N -0.20 0.60 -0.90 3.16 1.35 -0.35 -0.18 112.91 116.39 3hrk h THR 267 Ca 0.02 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.09 3hrk h THR 267 Cb 0.22 0.60 -0.06 0.00 -1.73 0.00 0.00 68.15 67.17 3hrk h THR 267 CO -0.06 0.00 0.60 -0.07 -0.25 0.00 0.00 175.52 175.74 3hrk h LEU 268 N -0.17 0.36 -0.76 3.87 4.07 -0.99 -0.14 115.31 121.55 3hrk h LEU 268 Ca 0.10 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3hrk h LEU 268 Cb 0.31 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3hrk h LEU 268 CO -0.25 0.14 -0.05 -1.54 -1.08 0.00 0.00 178.44 175.66 3hrk n SER 269 N -4.49 1.23 -4.67 -0.43 3.41 -0.14 -2.60 113.62 105.93 3hrk n SER 269 Ca 0.19 -1.30 -0.46 0.00 -0.26 0.00 0.00 58.87 57.04 3hrk n SER 269 Cb 0.74 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.13 3.18 -0.04 1.04 4.77 -0.07 -4.92 117.00 120.84 3hrk n LEU 270 Ca 0.18 1.08 -0.14 0.00 -0.03 0.00 0.00 56.01 57.09 3hrk n LEU 270 Cb 0.33 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 39.86 3hrk n LEU 270 CO 0.19 -0.24 0.44 0.11 -1.33 0.00 0.00 177.39 176.55 3hrk h LYS 271 N 6.12 0.09 0.00 3.23 1.79 -1.92 -3.35 116.57 122.54 3hrk h LYS 271 Ca -0.45 -0.10 -0.40 0.00 -2.18 0.00 0.00 60.65 57.52 3hrk h LYS 271 Cb 1.25 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 3hrk h LYS 271 CO 0.90 0.86 -0.36 0.45 -1.08 0.00 0.00 179.45 180.22 3hrk n SER 272 N -4.60 -0.83 0.04 0.86 2.88 -1.26 -4.81 113.62 105.90 3hrk n SER 272 Ca -0.10 -2.98 -0.13 0.00 -1.33 0.00 0.00 58.87 54.34 3hrk n SER 272 Cb 0.45 1.78 -0.08 0.00 -0.75 0.00 0.00 64.21 65.61 3hrk n SER 272 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3hrk h ILE 273 N 1.99 1.11 -0.96 2.46 5.03 -1.97 0.10 117.51 125.28 3hrk h ILE 273 Ca -0.23 -0.49 0.23 0.00 -0.12 0.00 0.00 64.86 64.25 3hrk h ILE 273 Cb 1.12 1.44 -0.18 0.00 -3.03 0.00 0.00 36.82 36.17 3hrk h ILE 273 CO 0.33 0.12 -0.10 0.44 -0.68 0.00 0.00 178.15 178.26 3hrk h ASP 274 N -0.27 -0.67 0.20 1.72 3.32 -2.00 0.37 116.42 119.09 3hrk h ASP 274 Ca -0.01 0.28 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 3hrk h ASP 274 Cb 0.25 0.53 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3hrk h ASP 274 CO 0.01 -0.32 -0.44 -0.08 -1.72 0.00 0.00 179.24 176.68 3hrk h GLU 275 N 0.01 0.30 -0.07 3.56 4.81 -1.82 -2.86 114.58 118.52 3hrk h GLU 275 Ca 0.52 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 3hrk h GLU 275 Cb 0.94 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3hrk h GLU 275 CO -0.94 0.69 -0.08 0.82 -0.73 0.00 0.00 179.01 178.78 3hrk h ILE 276 N 0.25 0.79 -1.09 2.32 1.08 0.17 -2.38 117.51 118.65 3hrk h ILE 276 Ca 0.02 0.00 0.38 0.00 -0.39 0.00 0.00 64.86 64.87 3hrk h ILE 276 Cb 0.88 0.79 -0.15 0.00 -3.07 0.00 0.00 36.82 35.27 3hrk h ILE 276 CO 0.07 0.00 0.64 0.00 -0.69 0.00 0.00 178.15 178.17 3hrk h ALA 277 N 0.95 2.23 0.00 1.87 0.00 -0.90 -1.39 119.26 122.03 3hrk h ALA 277 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hrk h ALA 277 Cb 0.18 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hrk h ALA 277 CO -0.13 -0.90 -0.03 1.96 0.00 0.00 0.00 179.25 180.16 3hrk h GLN 278 N 0.17 0.00 0.00 0.00 4.20 -1.43 1.88 115.11 119.93 3hrk h GLN 278 Ca 0.79 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.50 3hrk h GLN 278 Cb 2.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.85 3hrk h GLN 278 CO -0.59 0.03 -1.05 0.54 -0.67 0.00 0.00 178.83 177.09 3hrk n ARG 279 N -3.11 0.24 0.00 1.46 1.74 -0.56 -4.62 116.66 111.81 3hrk n ARG 279 Ca 0.04 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3hrk n ARG 279 Cb 0.52 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.87 0.00 0.00 1.55 0.24 -0.98 -5.07 118.33 112.20 3hrk n VAL 280 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3hrk n VAL 280 Cb 0.42 1.30 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 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 -2.73 0.25 7.63 0.00 0.64 -4.69 105.19 106.29 3hrk n GLY 281 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.85 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 0.26 -6.11 1.61 4.57 -1.91 -3.32 114.58 109.68 3hrk h GLU 282 Ca 0.00 -0.05 -0.59 0.00 -1.18 0.00 0.00 59.36 57.54 3hrk h GLU 282 Cb 0.00 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.45 3hrk h GLU 282 CO 0.00 0.34 1.35 -1.21 -1.18 0.00 0.00 179.01 178.30 3hrk s GLU 283 N -4.87 3.49 -0.28 1.92 0.41 -1.26 -4.43 118.70 113.68 3hrk s GLU 283 Ca -0.06 -0.94 -0.26 0.00 -0.41 0.00 0.00 54.97 53.31 3hrk s GLU 283 Cb 0.16 -5.04 0.15 0.00 -1.78 0.00 0.00 34.13 27.62 3hrk s GLU 283 CO 0.73 -2.17 1.21 -1.58 -0.49 0.00 0.00 175.26 172.96 3hrk s HIS 284 N 5.03 -0.28 0.07 1.61 2.46 -1.25 -5.06 115.29 117.88 3hrk s HIS 284 Ca 0.42 0.65 -0.35 0.00 0.47 0.00 0.00 55.06 56.26 3hrk s HIS 284 Cb -0.02 0.42 -0.18 0.00 -0.13 0.00 0.00 32.58 32.67 3hrk s HIS 284 CO -0.04 -0.15 1.60 1.05 -2.47 0.00 0.00 174.74 174.74 3hrk h GLU 285 N 3.55 -1.00 -0.88 2.88 4.11 -1.92 -2.16 114.58 119.16 3hrk h GLU 285 Ca -0.26 0.07 0.23 0.00 0.07 0.00 0.00 59.36 59.47 3hrk h GLU 285 Cb 1.18 0.23 -0.14 0.00 0.50 0.00 0.00 28.75 30.52 3hrk h GLU 285 CO 0.16 -0.67 0.20 0.00 0.07 0.00 0.00 179.01 178.77 3hrk h ALA 286 N -0.81 1.23 0.39 1.06 0.00 -1.97 0.76 119.26 119.92 3hrk h ALA 286 Ca -0.09 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hrk h ALA 286 Cb 0.83 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hrk h ALA 286 CO 0.11 -0.48 -0.19 0.28 0.00 0.00 0.00 179.25 178.97 3hrk h VAL 287 N 0.18 0.55 0.00 0.00 2.07 -1.74 -2.15 116.25 115.16 3hrk h VAL 287 Ca 0.55 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3hrk h VAL 287 Cb 1.10 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3hrk h VAL 287 CO -0.68 0.08 -0.32 0.07 0.02 0.00 0.00 177.57 176.75 3hrk h LYS 288 N -0.85 0.00 -0.53 1.57 2.10 -0.99 -2.13 116.57 115.74 3hrk h LYS 288 Ca -0.05 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.52 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 0.32 0.05 0.93 -2.00 0.00 0.00 179.45 178.84 3hrk h GLU 289 N 0.00 0.91 -0.27 0.07 5.08 -0.82 -1.98 114.58 117.57 3hrk h GLU 289 Ca -0.00 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3hrk h GLU 289 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3hrk h GLU 289 CO 0.04 0.90 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.76 3hrk h LEU 290 N 0.79 0.58 -1.05 1.33 3.38 -1.00 -1.37 115.31 117.97 3hrk h LEU 290 Ca 0.16 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hrk h LEU 290 Cb 0.46 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3hrk h LEU 290 CO 0.02 0.86 0.62 0.03 0.09 0.00 0.00 178.44 180.05 3hrk h ARG 291 N 0.30 1.26 0.00 1.13 3.08 -1.35 0.14 114.38 118.95 3hrk h ARG 291 Ca 0.06 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hrk h ARG 291 Cb 0.64 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hrk h ARG 291 CO 0.04 0.84 -0.00 1.96 -1.07 0.00 0.00 179.97 181.74 3hrk h GLN 292 N 1.29 -0.00 -0.49 0.04 4.20 -1.35 -0.10 115.11 118.70 3hrk h GLN 292 Ca 0.35 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.16 3hrk h GLN 292 Cb -0.13 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.55 3hrk h GLN 292 CO -0.07 0.26 -0.19 0.35 -0.67 0.00 0.00 178.83 178.50 3hrk h PHE 293 N -0.27 -0.48 -0.47 2.96 3.57 -0.37 0.17 116.94 122.05 3hrk h PHE 293 Ca -0.00 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3hrk h PHE 293 Cb 0.27 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3hrk h PHE 293 CO 0.02 -0.28 -0.15 0.74 -2.23 0.00 0.00 178.31 176.40 3hrk h PHE 294 N -0.08 1.02 -0.00 0.41 0.04 -0.71 -2.11 116.94 115.51 3hrk h PHE 294 Ca 0.23 -0.21 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 3hrk h PHE 294 Cb 0.44 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3hrk h PHE 294 CO -0.48 0.99 -0.44 1.05 -0.60 0.00 0.00 178.31 178.83 3hrk h GLU 295 N 0.80 0.01 -0.01 1.51 4.11 -0.22 -2.27 114.58 118.51 3hrk h GLU 295 Ca 0.12 -0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.32 3hrk h GLU 295 Cb 0.69 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.95 3hrk h GLU 295 CO 0.05 0.45 -0.87 1.96 0.07 0.00 0.00 179.01 180.67 3hrk h GLN 296 N 0.01 0.60 -0.66 1.06 4.20 -0.80 -2.00 115.11 117.52 3hrk h GLN 296 Ca -0.00 -0.64 -0.08 0.00 0.06 0.00 0.00 58.65 57.99 3hrk h GLN 296 Cb 0.78 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3hrk h GLN 296 CO 0.06 1.24 0.09 0.28 -0.67 0.00 0.00 178.83 179.83 3hrk h VAL 297 N 0.22 1.26 -0.97 -0.54 2.07 -1.34 -0.50 116.25 116.46 3hrk h VAL 297 Ca -0.11 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3hrk h VAL 297 Cb 1.54 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 3hrk h VAL 297 CO 0.17 0.39 0.63 -0.33 0.02 0.00 0.00 177.57 178.45 3hrk h GLU 298 N 1.02 1.19 -0.20 1.57 5.08 -1.38 -0.95 114.58 120.90 3hrk h GLU 298 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3hrk h GLU 298 Cb 0.46 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hrk h GLU 298 CO 0.02 0.79 0.08 0.00 -1.00 0.00 0.00 179.01 178.89 3hrk h ALA 299 N 1.40 0.26 0.00 3.43 0.00 -0.76 -2.67 119.26 120.91 3hrk h ALA 299 Ca 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hrk h ALA 299 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hrk h ALA 299 CO -0.12 -0.15 -0.06 -0.92 0.00 0.00 0.00 179.25 178.00 3hrk h TYR 300 N 0.17 0.00 0.00 0.00 5.03 -0.58 -3.46 116.97 118.13 3hrk h TYR 300 Ca 0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.38 3hrk h TYR 300 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.45 3hrk h TYR 300 CO -0.01 0.06 0.00 0.41 -1.32 0.00 0.00 178.16 177.29 3hrk n GLY 301 N -1.05 1.60 2.53 1.82 0.00 -0.41 -5.02 105.19 104.66 3hrk n GLY 301 Ca -0.02 0.00 -0.29 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 -1.24 3.31 0.07 1.61 4.01 -0.90 -4.87 117.16 119.15 3hrk n TYR 302 Ca 0.00 -2.95 -0.13 0.00 -0.16 0.00 0.00 57.90 54.67 3hrk n TYR 302 Cb 0.00 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 38.66 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 2.62 -0.13 2.00 2.72 0.00 -1.82 -3.04 103.07 105.42 3hrk h GLY 303 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3hrk h GLY 303 CO 0.95 -0.05 0.00 -0.55 0.00 0.00 0.00 176.54 176.89 3hrk h ASP 304 N -0.23 0.00 0.51 0.19 3.32 -1.96 -3.19 116.42 115.06 3hrk h ASP 304 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 3hrk h ASP 304 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3hrk h ASP 304 CO 0.02 0.00 -0.77 -0.50 -1.72 0.00 0.00 179.24 176.27 3hrk h TRP 305 N 0.00 0.28 -1.95 4.55 4.06 -1.87 -3.46 115.95 117.56 3hrk h TRP 305 Ca 0.00 -0.13 -0.53 0.00 2.06 0.00 0.00 58.89 60.29 3hrk h TRP 305 Cb 0.35 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.41 3hrk h TRP 305 CO 0.00 0.89 -0.52 0.14 -3.56 0.00 0.00 178.44 175.38 3hrk s VAL 306 N -3.42 3.42 0.00 1.49 -7.23 -1.21 -0.87 120.40 112.58 3hrk s VAL 306 Ca -0.03 -1.59 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 3hrk s VAL 306 Cb 0.11 -3.08 0.09 0.00 0.56 0.00 0.00 36.38 34.06 3hrk s VAL 306 CO 0.81 -0.23 0.79 -1.48 -0.31 0.00 0.00 175.10 174.68 3hrk s LEU 307 N -3.87 -0.48 0.21 1.32 0.05 -0.78 -4.89 118.68 110.24 3hrk s LEU 307 Ca 0.37 0.21 -0.30 0.00 0.05 0.00 0.00 54.13 54.47 3hrk s LEU 307 Cb -0.05 2.26 -0.08 0.00 -2.05 0.00 0.00 46.19 46.27 3hrk s LEU 307 CO 0.24 -0.67 0.93 0.12 -0.55 0.00 0.00 176.35 176.42 3hrk s PHE 308 N -2.56 3.95 -0.23 3.48 5.36 -1.26 -0.95 117.98 125.77 3hrk s PHE 308 Ca -0.00 1.87 -0.04 0.00 -0.96 0.00 0.00 56.93 57.80 3hrk s PHE 308 Cb -0.01 -2.98 0.10 0.00 -0.34 0.00 0.00 43.02 39.79 3hrk s PHE 308 CO -0.04 0.41 0.20 0.34 -1.46 0.00 0.00 175.22 174.67 3hrk s ASP 309 N -0.93 1.91 0.62 6.13 -1.08 -0.63 -4.79 116.67 117.89 3hrk s ASP 309 Ca 0.42 -0.54 0.34 0.00 -0.52 0.00 0.00 52.55 52.25 3hrk s ASP 309 Cb -0.25 0.20 1.94 0.00 -1.46 0.00 0.00 42.92 43.34 3hrk s ASP 309 CO 0.31 -0.36 2.20 0.00 0.52 0.00 0.00 175.17 177.84 3hrk h ALA 310 N 8.34 1.43 0.00 3.66 0.00 -1.75 -2.62 119.26 128.32 3hrk h ALA 310 Ca -0.16 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hrk h ALA 310 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hrk h ALA 310 CO 0.32 -0.14 -0.24 0.66 0.00 0.00 0.00 179.25 179.85 3hrk h SER 311 N 0.00 0.00 -3.06 0.00 4.64 -1.82 -3.42 113.55 109.88 3hrk h SER 311 Ca 0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.80 3hrk h SER 311 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3hrk h SER 311 CO -0.00 0.24 0.70 -0.69 -0.87 0.00 0.00 176.83 176.21 3hrk s VAL 312 N -3.61 4.01 0.00 0.95 1.01 -0.99 -4.85 120.40 116.93 3hrk s VAL 312 Ca 0.01 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3hrk s VAL 312 Cb 0.10 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3hrk s VAL 312 CO 0.64 0.03 0.00 1.33 0.00 0.00 0.00 175.10 177.10 3hrk n VAL 313 N 4.42 0.00 -0.01 2.92 0.24 -1.26 -4.75 118.33 119.90 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 -0.05 -0.00 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.50 -0.02 -0.57 7.34 5.12 -1.26 -4.84 116.66 121.94 3hrk n ARG 314 Ca 0.00 0.01 0.08 0.00 -1.93 0.00 0.00 57.85 56.02 3hrk n ARG 314 Cb 0.04 -0.02 0.32 0.00 -1.16 0.00 0.00 32.46 31.64 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 -1.67 3.06 3.22 -0.13 0.00 -1.26 -4.63 105.19 103.78 3hrk n GLY 315 Ca -0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.08 2.10 0.00 0.99 1.43 -1.26 -4.79 118.68 115.06 3hrk s LEU 316 Ca 0.46 -0.56 0.13 0.00 -1.03 0.00 0.00 54.13 53.14 3hrk s LEU 316 Cb 0.32 -1.41 0.62 0.00 0.03 0.00 0.00 46.19 45.75 3hrk s LEU 316 CO 0.19 0.16 1.42 0.00 0.23 0.00 0.00 176.35 178.35 3hrk n ALA 317 N 3.53 2.54 0.84 4.21 0.00 -1.26 -3.59 120.51 126.78 3hrk n ALA 317 Ca -0.19 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.10 3hrk n ALA 317 Cb 0.53 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.26 0.04 -2.27 0.00 0.18 -1.26 -4.92 117.16 108.67 3hrk n TYR 318 Ca 0.11 -0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.46 3hrk n TYR 318 Cb 0.14 -0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.07 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 -1.75 3.28 -0.11 -3.48 4.12 -1.24 -4.51 117.35 113.66 3hrk s TYR 319 Ca 0.26 1.53 0.05 0.00 0.02 0.00 0.00 57.07 58.93 3hrk s TYR 319 Cb 0.18 -3.51 -0.10 0.00 -1.52 0.00 0.00 41.96 37.01 3hrk s TYR 319 CO 0.27 -1.31 -0.04 0.25 0.02 0.00 0.00 175.55 174.74 3hrk n THR 320 N 1.02 0.70 0.00 -0.71 -2.24 0.13 -4.95 114.28 108.23 3hrk n THR 320 Ca -0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3hrk n THR 320 Cb 0.43 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.64 2.82 3.77 3.38 0.00 -1.15 -4.18 105.19 112.46 3hrk n GLY 321 Ca -0.19 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 2.45 2.93 0.00 -0.61 1.01 -1.26 -0.12 121.20 125.60 3hrk s ILE 322 Ca 0.00 0.84 -0.07 0.00 0.00 0.00 0.00 60.65 61.42 3hrk s ILE 322 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3hrk s ILE 322 CO 0.00 0.13 0.14 0.68 0.00 0.00 0.00 174.94 175.89 3hrk s VAL 323 N -1.29 0.08 0.14 2.92 -7.23 0.13 -0.21 120.40 114.95 3hrk s VAL 323 Ca 0.54 -0.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 3hrk s VAL 323 Cb -0.35 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.18 3hrk s VAL 323 CO 0.45 -0.37 0.36 0.72 -0.31 0.00 0.00 175.10 175.94 3hrk s PHE 324 N -1.36 0.03 -0.15 2.82 -0.12 -0.72 -1.40 117.98 117.09 3hrk s PHE 324 Ca -0.14 -0.39 -0.08 0.00 -0.05 0.00 0.00 56.93 56.27 3hrk s PHE 324 Cb -0.07 0.15 0.06 0.00 -0.63 0.00 0.00 43.02 42.52 3hrk s PHE 324 CO 0.02 -0.73 0.35 -2.00 -0.05 0.00 0.00 175.22 172.81 3hrk s GLU 325 N -3.87 0.32 0.03 1.99 2.12 -0.97 -1.71 118.70 116.61 3hrk s GLU 325 Ca 0.08 0.73 -0.23 0.00 0.36 0.00 0.00 54.97 55.91 3hrk s GLU 325 Cb 0.02 -0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.33 3hrk s GLU 325 CO -0.07 -0.17 0.71 0.20 -0.54 0.00 0.00 175.26 175.39 3hrk s GLY 326 N 1.51 2.74 0.04 -1.50 0.00 0.75 -1.48 107.32 109.38 3hrk s GLY 326 Ca -0.08 0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.79 3hrk s GLY 326 CO -0.11 0.97 0.07 -0.11 0.00 0.00 0.00 173.10 173.92 3hrk s PHE 327 N -0.15 0.23 -0.03 1.90 -0.12 0.34 -0.13 117.98 120.02 3hrk s PHE 327 Ca 0.36 -0.54 -0.22 0.00 -0.05 0.00 0.00 56.93 56.48 3hrk s PHE 327 Cb -0.20 -0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 3hrk s PHE 327 CO 0.21 -0.34 0.64 0.16 -0.05 0.00 0.00 175.22 175.84 3hrk s ASP 328 N -2.08 6.98 0.40 1.98 -4.77 -1.26 0.59 116.67 118.51 3hrk s ASP 328 Ca -0.06 1.17 0.12 0.00 -3.30 0.00 0.00 52.55 50.49 3hrk s ASP 328 Cb -0.02 -2.39 0.95 0.00 -1.09 0.00 0.00 42.92 40.37 3hrk s ASP 328 CO -0.04 0.00 1.94 0.03 0.70 0.00 0.00 175.17 177.80 3hrk h ARG 329 N 6.15 0.51 0.00 2.11 2.47 -1.18 0.20 114.38 124.64 3hrk h ARG 329 Ca -0.43 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.24 3hrk h ARG 329 Cb 1.20 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3hrk h ARG 329 CO 0.72 0.34 -0.08 0.93 0.56 0.00 0.00 179.97 182.45 3hrk h GLU 330 N 0.53 0.00 -2.92 0.04 5.08 -1.91 -3.47 114.58 111.93 3hrk h GLU 330 Ca 0.34 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.60 3hrk h GLU 330 Cb 0.62 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.92 3hrk h GLU 330 CO -0.12 0.08 -0.23 0.41 -1.00 0.00 0.00 179.01 178.15 3hrk n GLY 331 N -0.41 0.29 0.13 -3.84 0.00 0.69 -4.99 105.19 97.05 3hrk n GLY 331 Ca -0.01 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.93 0.70 -4.52 1.61 5.02 -1.26 -5.04 118.16 112.74 3hrk n LYS 332 Ca -0.06 0.21 -0.25 0.00 -2.02 0.00 0.00 58.31 56.19 3hrk n LYS 332 Cb 0.54 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.54 2.34 1.33 2.13 0.40 -1.26 -5.14 117.98 115.24 3hrk s PHE 333 Ca -0.29 -0.49 -0.21 0.00 -0.60 0.00 0.00 56.93 55.35 3hrk s PHE 333 Cb 0.08 -1.28 0.32 0.00 0.51 0.00 0.00 43.02 42.65 3hrk s PHE 333 CO 0.68 0.58 0.73 0.54 0.70 0.00 0.00 175.22 178.45 3hrk n ARG 334 N -0.74 -4.01 -1.93 0.44 5.12 -1.26 -4.79 116.66 109.49 3hrk n ARG 334 Ca -0.05 -1.19 -0.42 0.00 -1.93 0.00 0.00 57.85 54.26 3hrk n ARG 334 Cb 0.63 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 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 -2.12 3.78 0.17 7.54 0.00 -1.26 -4.83 121.76 125.04 3hrk s ALA 335 Ca 0.58 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.77 3hrk s ALA 335 Cb -0.11 -3.62 0.12 0.00 0.00 0.00 0.00 23.12 19.50 3hrk s ALA 335 CO 0.50 -0.78 1.72 -0.07 0.00 0.00 0.00 175.76 177.12 3hrk h LEU 336 N 6.80 -0.03 -7.61 0.00 3.38 -0.85 -3.47 115.31 113.53 3hrk h LEU 336 Ca -0.43 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3hrk h LEU 336 Cb 1.20 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 3hrk h LEU 336 CO 0.92 0.02 0.06 0.00 0.09 0.00 0.00 178.44 179.52 3hrk s GLY 338 N -2.86 -0.54 0.00 0.00 0.00 -0.65 -0.18 107.32 103.09 3hrk s GLY 338 Ca 0.08 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.16 3hrk s GLY 338 CO -0.04 0.91 0.00 0.61 0.00 0.00 0.00 173.10 174.59 3hrk n GLY 339 N 0.79 2.13 0.00 0.20 0.00 -0.69 -1.14 105.19 106.48 3hrk n GLY 339 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.50 3.78 -0.02 0.00 -0.83 -1.75 105.19 104.87 3hrk n GLY 340 Ca 0.00 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.69 4.30 -0.46 1.61 3.52 0.70 -2.45 118.95 124.48 3hrk s ARG 341 Ca 0.00 0.77 0.05 0.00 -0.13 0.00 0.00 55.73 56.43 3hrk s ARG 341 Cb 0.00 -3.30 0.20 0.00 -1.56 0.00 0.00 34.95 30.29 3hrk s ARG 341 CO 0.00 0.47 0.44 2.48 -0.81 0.00 0.00 175.30 177.88 3hrk n TYR 342 N 2.31 0.05 0.05 5.12 0.18 0.10 0.22 117.16 125.19 3hrk n TYR 342 Ca -0.08 -3.56 -0.06 0.00 1.88 0.00 0.00 57.90 56.08 3hrk n TYR 342 Cb 0.51 -0.08 0.12 0.00 -0.38 0.00 0.00 39.34 39.51 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 5.02 0.41 0.92 9.48 3.32 -1.80 -3.28 116.42 130.49 3hrk h ASP 343 Ca 0.19 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hrk h ASP 343 Cb 0.86 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3hrk h ASP 343 CO 0.47 0.86 -0.66 0.78 -1.72 0.00 0.00 179.24 178.96 3hrk h ASN 344 N 0.30 0.00 -0.77 6.45 2.35 -1.86 -3.34 115.58 118.70 3hrk h ASN 344 Ca 0.01 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3hrk h ASN 344 Cb 1.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.30 3hrk h ASN 344 CO 0.09 0.09 0.42 0.25 -1.65 0.00 0.00 177.43 176.63 3hrk h LEU 345 N 0.00 0.59 -1.45 1.61 5.85 -1.83 -1.11 115.31 118.98 3hrk h LEU 345 Ca 0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3hrk h LEU 345 Cb 0.79 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3hrk h LEU 345 CO 0.00 0.34 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.10 3hrk h LEU 346 N 0.72 0.00 -0.35 2.25 4.07 -1.82 -0.74 115.31 119.45 3hrk h LEU 346 Ca 0.37 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.17 3hrk h LEU 346 Cb 0.34 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 3hrk h LEU 346 CO -0.24 0.27 -0.41 0.74 -1.08 0.00 0.00 178.44 177.72 3hrk h THR 347 N 0.00 1.28 -0.79 0.22 2.02 -1.49 0.29 112.91 114.44 3hrk h THR 347 Ca -0.00 -1.59 0.07 0.00 0.77 0.00 0.00 66.41 65.66 3hrk h THR 347 Cb 0.55 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 3hrk h THR 347 CO 0.04 0.53 0.52 0.74 0.37 0.00 0.00 175.52 177.71 3hrk h THR 348 N 0.69 1.03 -0.00 3.16 2.02 -0.26 0.16 112.91 119.71 3hrk h THR 348 Ca 0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3hrk h THR 348 Cb 1.01 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3hrk h THR 348 CO 0.10 0.15 -0.14 -1.22 0.37 0.00 0.00 175.52 174.79 3hrk n TYR 349 N -4.48 0.00 0.00 3.16 4.01 -0.79 -4.94 117.16 114.12 3hrk n TYR 349 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3hrk n TYR 349 Cb 0.22 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.46 1.86 3.69 2.72 0.00 0.55 -5.09 105.19 110.37 3hrk n GLY 350 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 6.94 0.00 1.61 0.15 0.06 -4.88 113.70 115.58 3hrk s SER 351 Ca 0.00 1.97 0.02 0.00 0.70 0.00 0.00 55.95 58.64 3hrk s SER 351 Cb 0.00 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 3hrk s SER 351 CO 0.00 -0.67 0.95 -0.81 1.20 0.00 0.00 173.24 173.92 3hrk n PRO 352 N 5.39 0.02 -3.69 5.44 -0.04 -1.26 -4.26 135.00 136.60 3hrk n PRO 352 Ca 0.12 0.33 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 3hrk n PRO 352 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.72 -0.18 0.38 0.52 -1.32 -1.26 -5.15 115.64 105.91 3hrk s THR 353 Ca 0.02 0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.34 3hrk s THR 353 Cb 0.02 -0.60 -0.11 0.00 -1.51 0.00 0.00 72.50 70.30 3hrk s THR 353 CO 0.04 0.05 1.50 -2.16 -2.21 0.00 0.00 174.62 171.84 3hrk s PRO 354 N 1.71 4.08 -0.24 7.08 0.04 -1.26 -4.88 135.00 141.53 3hrk s PRO 354 Ca -0.07 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3hrk s PRO 354 Cb -0.09 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.56 3hrk s PRO 354 CO -0.12 -0.57 -0.03 0.42 0.04 0.00 0.00 177.00 176.74 3hrk s ILE 355 N -1.12 1.39 0.37 0.56 1.01 -1.25 -5.03 121.20 117.13 3hrk s ILE 355 Ca 0.53 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 3hrk s ILE 355 Cb -0.47 -1.73 -0.11 0.00 0.01 0.00 0.00 42.46 40.16 3hrk s ILE 355 CO 0.64 -0.17 1.44 -0.81 0.00 0.00 0.00 174.94 176.04 3hrk n PRO 356 N 4.71 2.54 -3.92 2.79 -0.04 -1.26 -4.70 135.00 135.13 3hrk n PRO 356 Ca -0.10 0.89 -0.10 0.00 -0.04 0.00 0.00 63.50 64.14 3hrk n PRO 356 Cb 0.44 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.20 3hrk n PRO 356 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hrk s ALA 358 N -1.27 -0.29 0.00 0.00 0.00 -0.25 0.00 121.76 119.96 3hrk s ALA 358 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3hrk s ALA 358 Cb -0.08 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3hrk s ALA 358 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3hrk n GLY 359 N 0.94 1.42 3.17 0.00 0.00 -1.03 0.11 105.19 109.80 3hrk n GLY 359 Ca -0.20 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 0.92 0.06 1.61 -0.12 0.25 -1.97 117.98 116.72 3hrk s PHE 360 Ca 0.00 -1.10 0.06 0.00 -0.05 0.00 0.00 56.93 55.84 3hrk s PHE 360 Cb 0.00 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 3hrk s PHE 360 CO 0.00 -0.36 -0.14 0.20 -0.05 0.00 0.00 175.22 174.88 3hrk s GLY 361 N -3.07 1.68 -0.24 1.99 0.00 -0.29 -2.21 107.32 105.19 3hrk s GLY 361 Ca 0.20 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 3hrk s GLY 361 CO -0.00 -1.10 0.10 -0.12 0.00 0.00 0.00 173.10 171.98 3hrk s PHE 362 N -1.04 0.44 0.78 1.90 5.99 -0.59 -1.64 117.98 123.83 3hrk s PHE 362 Ca 0.17 -0.73 -0.11 0.00 0.00 0.00 0.00 56.93 56.26 3hrk s PHE 362 Cb -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 43.02 42.08 3hrk s PHE 362 CO 0.08 -0.70 1.10 0.20 -0.00 0.00 0.00 175.22 175.91 3hrk s GLY 363 N 2.06 1.73 0.00 13.12 0.00 -1.16 -0.53 107.32 122.54 3hrk s GLY 363 Ca 0.06 0.34 0.23 0.00 0.00 0.00 0.00 44.72 45.34 3hrk s GLY 363 CO -0.23 0.70 1.36 2.09 0.00 0.00 0.00 173.10 177.01 3hrk n ASP 364 N -3.50 3.35 -0.00 1.64 5.75 -0.68 -4.44 116.55 118.67 3hrk n ASP 364 Ca 0.10 -1.98 -0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3hrk n ASP 364 Cb 0.53 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.01 0.31 -0.95 0.00 2.07 -1.84 0.40 116.25 116.23 3hrk h VAL 366 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 3hrk h VAL 366 Cb 0.01 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 29.96 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 -0.12 0.50 -0.33 4.57 6.09 -1.83 -0.09 117.51 126.29 3hrk h ILE 367 Ca 0.23 -0.17 -0.16 0.00 -1.37 0.00 0.00 64.86 63.39 3hrk h ILE 367 Cb 0.49 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 37.75 3hrk h ILE 367 CO -0.59 0.09 -0.43 0.58 -3.07 0.00 0.00 178.15 174.73 3hrk h VAL 368 N 0.49 1.28 -0.93 2.19 2.07 -1.12 -1.42 116.25 118.79 3hrk h VAL 368 Ca 0.61 -1.61 0.19 0.00 0.82 0.00 0.00 66.70 66.71 3hrk h VAL 368 Cb 1.17 1.51 -0.11 0.00 -1.52 0.00 0.00 31.29 32.33 3hrk h VAL 368 CO -0.50 0.53 0.51 -0.33 0.02 0.00 0.00 177.57 177.79 3hrk h GLU 369 N 0.68 0.59 -0.06 1.57 5.08 -0.36 0.46 114.58 122.55 3hrk h GLU 369 Ca 0.04 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3hrk h GLU 369 Cb 1.03 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.16 3hrk h GLU 369 CO 0.10 0.39 -0.64 1.25 -1.00 0.00 0.00 179.01 179.11 3hrk h LEU 370 N 0.61 0.66 -0.72 1.33 5.85 -0.96 -1.63 115.31 120.45 3hrk h LEU 370 Ca 0.55 -0.69 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3hrk h LEU 370 Cb 0.92 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3hrk h LEU 370 CO -0.43 1.26 0.25 -0.07 -0.34 0.00 0.00 178.44 179.11 3hrk h LEU 371 N 0.12 1.03 -1.33 2.25 3.38 -0.81 -0.84 115.31 119.11 3hrk h LEU 371 Ca -0.06 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3hrk h LEU 371 Cb 1.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3hrk h LEU 371 CO 0.13 0.95 -0.30 1.56 0.09 0.00 0.00 178.44 180.87 3hrk h GLN 372 N 1.05 0.05 0.00 1.13 4.20 -0.89 0.20 115.11 120.86 3hrk h GLN 372 Ca 0.24 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3hrk h GLN 372 Cb 0.27 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3hrk h GLN 372 CO -0.01 0.35 -0.52 1.49 -0.67 0.00 0.00 178.83 179.47 3hrk h GLU 373 N 0.05 0.00 -0.66 1.46 4.81 -0.76 -3.06 114.58 116.43 3hrk h GLU 373 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hrk h GLU 373 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hrk h GLU 373 CO 0.04 0.52 0.00 1.63 -0.73 0.00 0.00 179.01 180.47 3hrk n LYS 374 N -3.45 3.38 -4.05 1.92 4.76 -0.37 -4.96 118.16 115.39 3hrk n LYS 374 Ca 0.00 -2.62 -0.28 0.00 -2.87 0.00 0.00 58.31 52.54 3hrk n LYS 374 Cb 0.65 -1.80 -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 1.12 -2.93 -0.17 1.97 1.74 -0.56 -4.88 116.66 112.95 3hrk n ARG 375 Ca 0.24 0.35 0.06 0.00 -0.77 0.00 0.00 57.85 57.73 3hrk n ARG 375 Cb 0.79 -4.49 0.15 0.00 -1.02 0.00 0.00 32.46 27.89 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 -4.43 2.88 -2.90 0.55 4.77 0.61 -4.66 117.00 113.83 3hrk n LEU 376 Ca -0.25 -1.95 -0.27 0.00 -0.03 0.00 0.00 56.01 53.51 3hrk n LEU 376 Cb 0.66 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3hrk n LEU 376 CO 0.78 0.72 0.16 0.18 -1.33 0.00 0.00 177.39 177.90 3hrk n LEU 377 N 0.53 4.53 -4.70 2.23 4.77 -1.25 -4.95 117.00 118.15 3hrk n LEU 377 Ca 0.11 -5.65 -0.42 0.00 -0.03 0.00 0.00 56.01 50.02 3hrk n LEU 377 Cb 0.42 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3hrk n LEU 377 CO 0.08 2.35 1.22 -2.16 -1.33 0.00 0.00 177.39 177.55 3hrk s PRO 378 N -3.49 4.24 0.03 3.23 0.04 -1.26 -4.90 135.00 132.90 3hrk s PRO 378 Ca 0.49 2.21 -0.32 0.00 0.04 0.00 0.00 61.00 63.41 3hrk s PRO 378 Cb 0.29 -3.46 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 3hrk s PRO 378 CO -0.14 -0.63 1.85 -3.47 0.04 0.00 0.00 177.00 174.65 3hrk n ASP 379 N 5.00 3.73 -4.36 6.66 4.64 -1.26 -4.94 116.55 126.02 3hrk n ASP 379 Ca 0.14 0.97 -0.40 0.00 -1.38 0.00 0.00 54.79 54.13 3hrk n ASP 379 Cb 0.41 -1.46 -0.11 0.00 -1.04 0.00 0.00 41.12 38.92 3hrk n ASP 379 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hrk s ILE 380 N 3.38 4.41 0.68 5.18 1.01 -1.26 -5.09 121.20 129.50 3hrk s ILE 380 Ca 0.87 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 3hrk s ILE 380 Cb -0.57 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3hrk s ILE 380 CO 0.44 -0.20 1.08 -2.16 0.00 0.00 0.00 174.94 174.09 3hrk s PRO 381 N 1.53 2.84 0.26 2.79 0.04 -1.26 -4.97 135.00 136.23 3hrk s PRO 381 Ca 0.01 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 3hrk s PRO 381 Cb -0.19 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 3hrk s PRO 381 CO 0.06 -1.19 1.36 1.58 0.04 0.00 0.00 177.00 178.85 3hrk n HIS 382 N -2.82 2.13 -4.23 0.56 -0.00 -1.26 -5.04 115.22 104.56 3hrk n HIS 382 Ca 0.09 0.47 -0.15 0.00 -0.00 0.00 0.00 57.72 58.13 3hrk n HIS 382 Cb 0.53 -2.44 -0.10 0.00 -0.00 0.00 0.00 29.99 27.98 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 -0.31 1.14 0.01 3.57 -7.23 -1.26 -4.22 120.40 112.10 3hrk s VAL 383 Ca 0.65 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 3hrk s VAL 383 Cb -0.64 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 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 -2.91 0.07 0.09 1.32 0.11 -0.91 -5.01 120.40 113.17 3hrk s VAL 384 Ca 0.13 -0.48 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 3hrk s VAL 384 Cb -0.00 -0.15 -0.14 0.00 -1.53 0.00 0.00 36.38 34.56 3hrk s VAL 384 CO 0.01 -0.25 1.66 0.44 -3.33 0.00 0.00 175.10 173.62 3hrk h ASP 385 N 5.37 -0.59 -4.49 3.54 3.45 -1.41 -2.38 116.42 119.91 3hrk h ASP 385 Ca -0.28 0.04 -0.26 0.00 0.43 0.00 0.00 57.03 56.96 3hrk h ASP 385 Cb 1.21 0.19 -0.24 0.00 -0.56 0.00 0.00 39.33 39.93 3hrk h ASP 385 CO 0.46 -0.36 -0.73 -1.81 -1.57 0.00 0.00 179.24 175.23 3hrk s ASP 386 N -4.73 0.60 -0.17 6.45 1.01 -0.83 -1.91 116.67 117.09 3hrk s ASP 386 Ca -0.16 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.74 3hrk s ASP 386 Cb 0.06 0.02 0.01 0.00 1.01 0.00 0.00 42.92 44.02 3hrk s ASP 386 CO 0.64 -0.13 -0.19 -0.69 0.21 0.00 0.00 175.17 175.00 3hrk s VAL 387 N -0.94 2.18 -0.40 -1.27 1.01 -0.02 -0.88 120.40 120.08 3hrk s VAL 387 Ca -0.07 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 3hrk s VAL 387 Cb -0.07 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3hrk s VAL 387 CO -0.00 0.53 0.45 -0.69 0.00 0.00 0.00 175.10 175.40 3hrk s VAL 388 N 1.14 5.06 -0.41 2.92 1.01 0.32 -0.92 120.40 129.52 3hrk s VAL 388 Ca 0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 3hrk s VAL 388 Cb -0.14 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.25 3hrk s VAL 388 CO -0.08 -0.36 0.31 -0.63 0.00 0.00 0.00 175.10 174.34 3hrk s ILE 389 N 2.22 5.24 0.15 2.22 1.01 -0.27 -2.61 121.20 129.16 3hrk s ILE 389 Ca 0.14 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 3hrk s ILE 389 Cb -0.16 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 3hrk s ILE 389 CO 0.14 -0.30 1.25 -2.16 0.00 0.00 0.00 174.94 173.87 3hrk s PRO 390 N 1.73 4.43 0.07 2.79 0.04 -1.26 0.22 135.00 143.01 3hrk s PRO 390 Ca 0.06 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 3hrk s PRO 390 Cb -0.19 -3.25 -0.18 0.00 0.04 0.00 0.00 34.50 30.92 3hrk s PRO 390 CO 0.10 -0.22 1.63 0.35 0.04 0.00 0.00 177.00 178.91 3hrk h PHE 391 N 5.87 -0.59 -4.84 0.56 3.57 -1.82 -3.45 116.94 116.25 3hrk h PHE 391 Ca -0.44 -0.01 -0.54 0.00 3.53 0.00 0.00 57.97 60.51 3hrk h PHE 391 Cb 1.21 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 40.03 3hrk h PHE 391 CO 0.64 -0.35 -0.45 -0.40 -2.23 0.00 0.00 178.31 175.52 3hrk n ASP 392 N -5.35 1.34 0.26 0.41 3.85 -1.26 -4.89 116.55 110.90 3hrk n ASP 392 Ca -0.12 -3.08 0.15 0.00 -0.71 0.00 0.00 54.79 51.03 3hrk n ASP 392 Cb 0.27 0.95 0.61 0.00 -1.35 0.00 0.00 41.12 41.60 3hrk n ASP 392 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3hrk h GLU 393 N 0.00 0.00 0.00 0.11 4.39 -1.99 -2.52 114.58 114.57 3hrk h GLU 393 Ca -0.31 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 3hrk h GLU 393 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3hrk h GLU 393 CO 0.49 0.06 -0.15 0.66 -1.16 0.00 0.00 179.01 178.91 3hrk h SER 394 N 0.00 0.00 1.15 1.42 4.64 -1.97 -1.54 113.55 117.25 3hrk h SER 394 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hrk h SER 394 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3hrk h SER 394 CO 0.01 0.15 0.00 0.23 -0.87 0.00 0.00 176.83 176.35 3hrk n MET 395 N -4.33 0.14 -0.25 4.77 2.81 -0.95 -4.32 117.12 114.99 3hrk n MET 395 Ca -0.03 0.17 0.04 0.00 -1.81 0.00 0.00 57.70 56.08 3hrk n MET 395 Cb 0.22 -1.68 0.15 0.00 -0.71 0.00 0.00 33.22 31.19 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 0.10 -0.30 0.03 2.43 -1.35 0.28 114.38 115.56 3hrk h ARG 396 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3hrk h ARG 396 Cb 0.57 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3hrk h ARG 396 CO 0.00 0.06 -0.06 -1.35 -1.51 0.00 0.00 179.97 177.11 3hrk h PRO 397 N 0.10 0.48 -0.23 0.20 0.11 -1.79 -0.12 132.00 130.75 3hrk h PRO 397 Ca 0.40 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 3hrk h PRO 397 Cb 0.70 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3hrk h PRO 397 CO -0.66 0.56 -0.27 0.45 -0.21 0.00 0.00 178.00 177.87 3hrk h HIS 398 N 0.46 0.71 -0.50 0.65 3.86 -1.25 -2.54 115.15 116.53 3hrk h HIS 398 Ca 0.09 -0.22 0.10 0.00 -1.16 0.00 0.00 60.37 59.18 3hrk h HIS 398 Cb 0.39 -0.14 -0.10 0.00 1.06 0.00 0.00 27.41 28.62 3hrk h HIS 398 CO 0.01 0.93 -0.16 0.00 0.86 0.00 0.00 177.93 179.57 3hrk h ALA 399 N 0.65 0.26 -0.19 2.45 0.00 0.15 -0.95 119.26 121.63 3hrk h ALA 399 Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3hrk h ALA 399 Cb 0.83 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3hrk h ALA 399 CO 0.06 -0.48 -0.12 -0.07 0.00 0.00 0.00 179.25 178.64 3hrk h LEU 400 N -0.04 -0.39 -0.84 0.00 3.38 -1.04 0.87 115.31 117.25 3hrk h LEU 400 Ca 0.24 0.09 0.20 0.00 0.09 0.00 0.00 57.88 58.50 3hrk h LEU 400 Cb 0.42 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 3hrk h LEU 400 CO -0.54 -0.16 0.03 0.00 0.09 0.00 0.00 178.44 177.86 3hrk h ALA 401 N 1.03 0.93 -0.45 1.53 0.00 -0.82 0.72 119.26 122.20 3hrk h ALA 401 Ca 0.11 0.27 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 3hrk h ALA 401 Cb 0.28 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hrk h ALA 401 CO -0.26 -0.46 -0.29 0.28 0.00 0.00 0.00 179.25 178.53 3hrk h VAL 402 N 0.09 1.27 -0.18 0.00 2.07 0.18 -2.56 116.25 117.11 3hrk h VAL 402 Ca 0.48 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3hrk h VAL 402 Cb 0.89 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3hrk h VAL 402 CO -0.74 0.50 0.09 0.25 0.02 0.00 0.00 177.57 177.69 3hrk h LEU 403 N 0.83 0.24 -0.56 2.57 5.85 0.53 -2.06 115.31 122.70 3hrk h LEU 403 Ca 0.09 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.80 3hrk h LEU 403 Cb 0.88 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 3hrk h LEU 403 CO 0.08 0.29 0.11 -0.09 -0.34 0.00 0.00 178.44 178.49 3hrk h ARG 404 N 0.17 0.24 -0.71 1.25 9.65 -0.82 -1.06 114.38 123.10 3hrk h ARG 404 Ca 0.06 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 3hrk h ARG 404 Cb 0.11 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 3hrk h ARG 404 CO -0.01 0.16 0.47 -0.09 2.80 0.00 0.00 179.97 183.30 3hrk h ARG 405 N 0.25 0.70 0.04 0.20 2.43 -1.00 0.76 114.38 117.75 3hrk h ARG 405 Ca 0.29 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3hrk h ARG 405 Cb 0.41 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3hrk h ARG 405 CO -0.37 0.46 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.03 3hrk h LEU 406 N 0.72 0.33 -1.73 3.80 3.38 -0.69 -2.59 115.31 118.53 3hrk h LEU 406 Ca 0.31 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3hrk h LEU 406 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hrk h LEU 406 CO -0.10 1.15 0.17 0.03 0.09 0.00 0.00 178.44 179.78 3hrk h ARG 407 N -0.43 0.35 -0.22 1.13 3.08 -0.81 -0.96 114.38 116.52 3hrk h ARG 407 Ca -0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3hrk h ARG 407 Cb 1.25 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3hrk h ARG 407 CO 0.09 0.24 0.04 -0.44 -1.07 0.00 0.00 179.97 178.82 3hrk h ASP 408 N 0.36 0.35 0.00 7.04 3.45 -0.89 -2.51 116.42 124.21 3hrk h ASP 408 Ca 0.10 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.30 3hrk h ASP 408 Cb -0.03 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 3hrk h ASP 408 CO -0.02 0.51 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 3hrk n ALA 409 N -2.30 1.92 -1.00 3.45 0.00 -0.46 -4.74 120.51 117.39 3hrk n ALA 409 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hrk n ALA 409 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.07 0.43 3.90 0.00 0.00 -0.94 -5.02 105.19 103.63 3hrk n GLY 410 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.16 3.23 -0.26 1.61 0.52 -0.65 -5.01 118.95 117.24 3hrk s ARG 411 Ca 0.00 0.26 -0.08 0.00 -0.52 0.00 0.00 55.73 55.39 3hrk s ARG 411 Cb 0.00 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3hrk s ARG 411 CO 0.00 -0.57 0.10 -1.54 0.02 0.00 0.00 175.30 173.31 3hrk s SER 412 N -4.23 5.36 0.10 0.23 1.04 -1.26 -4.34 113.70 110.61 3hrk s SER 412 Ca 0.53 -0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 3hrk s SER 412 Cb -0.11 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.04 3hrk s SER 412 CO 0.48 -0.04 0.24 0.00 0.98 0.00 0.00 173.24 174.90 3hrk s ALA 413 N 1.64 -0.33 0.14 5.32 0.00 -1.26 -1.07 121.76 126.20 3hrk s ALA 413 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3hrk s ALA 413 Cb -0.15 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3hrk s ALA 413 CO 0.05 -0.55 0.02 0.34 0.00 0.00 0.00 175.76 175.63 3hrk s ASP 414 N -2.86 0.75 -0.10 0.00 3.68 -0.06 -4.97 116.67 113.11 3hrk s ASP 414 Ca 0.06 -1.18 -0.11 0.00 2.13 0.00 0.00 52.55 53.45 3hrk s ASP 414 Cb 0.04 0.21 0.03 0.00 -1.45 0.00 0.00 42.92 41.74 3hrk s ASP 414 CO -0.10 -0.64 0.30 -0.51 0.13 0.00 0.00 175.17 174.35 3hrk s ILE 415 N -3.85 0.01 -0.02 4.11 2.07 -1.26 -0.52 121.20 121.73 3hrk s ILE 415 Ca 0.23 -0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 59.12 3hrk s ILE 415 Cb 0.07 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 42.16 3hrk s ILE 415 CO 0.02 -0.03 1.55 -0.63 -1.91 0.00 0.00 174.94 173.95 3hrk s ILE 416 N 0.02 3.53 -0.20 2.00 -1.09 -1.07 -4.89 121.20 119.49 3hrk s ILE 416 Ca -0.01 0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 59.15 3hrk s ILE 416 Cb -0.02 -3.53 -0.20 0.00 -1.58 0.00 0.00 42.46 37.13 3hrk s ILE 416 CO 0.01 -0.03 0.05 0.18 -1.23 0.00 0.00 174.94 173.91 3hrk n LEU 417 N 6.21 2.53 -4.90 2.97 4.77 -1.26 -4.83 117.00 122.48 3hrk n LEU 417 Ca 0.15 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.01 3hrk n LEU 417 Cb 0.43 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.52 3hrk n LEU 417 CO 0.61 0.75 0.44 -1.81 -1.33 0.00 0.00 177.39 176.05 3hrk s ASP 418 N -6.91 6.31 -0.02 -1.43 1.01 -1.26 -5.01 116.67 109.35 3hrk s ASP 418 Ca -0.30 0.96 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 3hrk s ASP 418 Cb 0.08 -2.26 -0.07 0.00 1.01 0.00 0.00 42.92 41.68 3hrk s ASP 418 CO 0.65 -0.54 1.91 -0.75 0.21 0.00 0.00 175.17 176.65 3hrk s LYS 419 N -4.57 4.02 0.03 8.23 2.20 -1.26 -4.97 119.74 123.42 3hrk s LYS 419 Ca 0.48 2.41 -0.16 0.00 -0.36 0.00 0.00 55.97 58.34 3hrk s LYS 419 Cb -0.10 -4.14 0.03 0.00 -1.51 0.00 0.00 37.83 32.10 3hrk s LYS 419 CO 0.42 -1.08 0.36 -1.59 -0.36 0.00 0.00 175.35 173.10 3hrk s LYS 420 N 4.60 0.83 1.07 4.03 -2.85 -1.26 -5.17 119.74 120.99 3hrk s LYS 420 Ca 0.86 -0.36 -0.12 0.00 -1.00 0.00 0.00 55.97 55.35 3hrk s LYS 420 Cb -0.39 0.37 0.23 0.00 -2.06 0.00 0.00 37.83 35.98 3hrk s LYS 420 CO 0.38 -0.27 1.06 0.15 0.10 0.00 0.00 175.35 176.77 3hrk s LYS 421 N -2.22 -0.16 0.10 1.78 -0.14 -1.26 -4.71 119.74 113.13 3hrk s LYS 421 Ca -0.07 0.83 -0.17 0.00 -1.36 0.00 0.00 55.97 55.19 3hrk s LYS 421 Cb -0.02 -1.64 -0.06 0.00 -1.68 0.00 0.00 37.83 34.43 3hrk s LYS 421 CO -0.01 -3.21 1.54 0.28 -0.76 0.00 0.00 175.35 173.19 3hrk h VAL 422 N -2.25 1.25 0.36 3.17 2.07 -1.96 -1.96 116.25 116.93 3hrk h VAL 422 Ca -0.57 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3hrk h VAL 422 Cb 1.32 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3hrk h VAL 422 CO 0.52 0.30 -0.41 0.58 0.02 0.00 0.00 177.57 178.58 3hrk h VAL 423 N 0.34 0.17 -0.84 2.57 2.07 -2.00 -2.45 116.25 116.11 3hrk h VAL 423 Ca 0.09 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.81 3hrk h VAL 423 Cb 0.43 0.17 -0.15 0.00 -1.52 0.00 0.00 31.29 30.22 3hrk h VAL 423 CO 0.01 0.00 0.03 1.56 0.02 0.00 0.00 177.57 179.19 3hrk h GLN 424 N -0.80 0.09 -0.05 1.57 4.20 -1.82 0.51 115.11 118.81 3hrk h GLN 424 Ca -0.03 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3hrk h GLN 424 Cb 0.73 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.44 3hrk h GLN 424 CO -0.10 0.06 -0.30 0.00 -0.67 0.00 0.00 178.83 177.82 3hrk h ALA 425 N 1.79 -0.39 -0.59 3.87 0.00 -1.01 0.41 119.26 123.34 3hrk h ALA 425 Ca 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 3hrk h ALA 425 Cb 0.89 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3hrk h ALA 425 CO -0.74 -0.79 0.36 0.74 0.00 0.00 0.00 179.25 178.82 3hrk h PHE 426 N -0.42 0.76 -0.22 0.00 0.04 0.30 0.13 116.94 117.53 3hrk h PHE 426 Ca 0.08 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3hrk h PHE 426 Cb 0.53 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3hrk h PHE 426 CO -0.35 0.50 0.15 -0.91 -0.60 0.00 0.00 178.31 177.10 3hrk h ASN 427 N 0.81 0.26 -0.34 2.17 4.21 0.62 -1.64 115.58 121.66 3hrk h ASN 427 Ca 0.21 -0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.76 3hrk h ASN 427 Cb -0.05 -0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 37.04 3hrk h ASN 427 CO -0.04 0.20 0.03 0.22 -1.29 0.00 0.00 177.43 176.54 3hrk h TYR 428 N 0.30 0.03 -0.54 1.19 3.20 0.20 -1.15 116.97 120.20 3hrk h TYR 428 Ca 0.08 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3hrk h TYR 428 Cb -0.02 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.19 3hrk h TYR 428 CO -0.06 -0.03 -0.09 0.00 -1.64 0.00 0.00 178.16 176.34 3hrk h ALA 429 N 1.28 0.42 -0.83 1.82 0.00 -0.46 0.88 119.26 122.37 3hrk h ALA 429 Ca 0.17 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hrk h ALA 429 Cb 0.21 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3hrk h ALA 429 CO -0.26 -0.42 0.51 -0.44 0.00 0.00 0.00 179.25 178.64 3hrk h ASP 430 N 0.04 0.99 0.61 0.00 3.32 -0.56 -0.79 116.42 120.03 3hrk h ASP 430 Ca 0.27 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3hrk h ASP 430 Cb 0.41 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3hrk h ASP 430 CO -0.53 0.76 -0.29 0.03 -1.72 0.00 0.00 179.24 177.49 3hrk h ARG 431 N 1.14 -0.79 0.00 3.56 2.47 0.34 -2.13 114.38 118.97 3hrk h ARG 431 Ca 0.30 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 3hrk h ARG 431 Cb -0.06 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3hrk h ARG 431 CO -0.06 -0.50 0.00 1.33 0.56 0.00 0.00 179.97 181.30 3hrk n VAL 432 N -5.42 0.03 -2.87 2.04 0.24 -0.58 -4.88 118.33 106.89 3hrk n VAL 432 Ca -0.13 0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 3hrk n VAL 432 Cb 0.35 -0.73 0.06 0.00 -1.47 0.00 0.00 33.84 32.05 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 0.12 -0.54 3.78 7.63 0.00 -0.80 -3.65 105.19 111.73 3hrk n GLY 433 Ca 0.13 0.28 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 3.38 -0.11 4.61 0.00 -0.36 -2.14 121.76 123.86 3hrk s ALA 434 Ca 0.27 0.38 0.16 0.00 0.00 0.00 0.00 51.96 52.77 3hrk s ALA 434 Cb -0.03 -3.00 0.21 0.00 0.00 0.00 0.00 23.12 20.29 3hrk s ALA 434 CO 0.55 0.27 1.51 0.28 0.00 0.00 0.00 175.76 178.37 3hrk h VAL 435 N 3.03 0.82 -2.49 0.00 2.07 -1.09 -3.44 116.25 115.15 3hrk h VAL 435 Ca -0.47 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 64.93 3hrk h VAL 435 Cb 1.20 2.31 -0.23 0.00 -1.52 0.00 0.00 31.29 33.05 3hrk h VAL 435 CO 0.66 0.45 -0.12 -0.60 0.02 0.00 0.00 177.57 177.98 3hrk s ARG 436 N -3.09 0.60 -0.28 1.57 3.52 -0.80 -2.81 118.95 117.65 3hrk s ARG 436 Ca 0.03 0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 56.31 3hrk s ARG 436 Cb 0.08 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 3hrk s ARG 436 CO 0.73 -0.08 0.04 0.00 -0.81 0.00 0.00 175.30 175.18 3hrk s ALA 437 N 0.33 2.96 -0.62 6.12 0.00 -0.48 -0.84 121.76 129.23 3hrk s ALA 437 Ca -0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.34 3hrk s ALA 437 Cb -0.04 -2.03 0.16 0.00 0.00 0.00 0.00 23.12 21.21 3hrk s ALA 437 CO -0.00 -0.91 0.56 0.08 0.00 0.00 0.00 175.76 175.49 3hrk s VAL 438 N 1.45 5.19 -0.05 0.00 1.01 -0.10 -1.51 120.40 126.39 3hrk s VAL 438 Ca 0.02 -1.87 -0.27 0.00 0.00 0.00 0.00 61.98 59.86 3hrk s VAL 438 Cb -0.17 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3hrk s VAL 438 CO 0.01 -0.91 0.85 -0.22 0.00 0.00 0.00 175.10 174.83 3hrk s LEU 439 N 1.09 4.32 -0.75 3.92 2.96 -0.70 -1.11 118.68 128.41 3hrk s LEU 439 Ca 0.08 1.40 -0.09 0.00 -0.22 0.00 0.00 54.13 55.31 3hrk s LEU 439 Cb -0.23 -3.33 0.20 0.00 0.50 0.00 0.00 46.19 43.32 3hrk s LEU 439 CO -0.01 -0.23 0.63 -0.69 -1.32 0.00 0.00 176.35 174.73 3hrk s VAL 440 N 1.13 4.75 0.30 1.68 1.01 0.13 -1.03 120.40 128.37 3hrk s VAL 440 Ca 0.44 -2.76 0.05 0.00 0.00 0.00 0.00 61.98 59.71 3hrk s VAL 440 Cb -0.19 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3hrk s VAL 440 CO 0.21 -0.97 0.43 0.00 0.00 0.00 0.00 175.10 174.77 3hrk s ALA 441 N -0.03 4.06 -0.12 5.51 0.00 -1.26 -2.32 121.76 127.60 3hrk s ALA 441 Ca 0.18 -1.32 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 3hrk s ALA 441 Cb -0.14 -1.73 -0.25 0.00 0.00 0.00 0.00 23.12 20.99 3hrk s ALA 441 CO -0.07 0.08 0.86 -1.00 0.00 0.00 0.00 175.76 175.63 3hrk h PRO 442 N 1.00 0.02 -0.65 0.00 0.14 -1.96 -1.14 132.00 129.39 3hrk h PRO 442 Ca -0.49 -0.02 0.14 0.00 0.14 0.00 0.00 66.00 65.77 3hrk h PRO 442 Cb 1.24 0.01 -0.12 0.00 0.14 0.00 0.00 31.00 32.27 3hrk h PRO 442 CO 0.57 0.93 -0.05 1.49 0.14 0.00 0.00 178.00 181.08 3hrk h GLU 443 N -0.89 0.07 -0.11 0.86 4.81 -1.97 -0.42 114.58 116.94 3hrk h GLU 443 Ca -0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3hrk h GLU 443 Cb 0.95 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 3hrk h GLU 443 CO 0.01 0.05 0.01 0.93 -0.73 0.00 0.00 179.01 179.27 3hrk h GLU 444 N 0.07 0.18 -0.94 1.92 3.07 -1.84 -3.20 114.58 113.84 3hrk h GLU 444 Ca 0.34 -0.05 0.13 0.00 -0.50 0.00 0.00 59.36 59.27 3hrk h GLU 444 Cb 0.55 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.37 3hrk h GLU 444 CO -0.60 0.41 0.60 2.35 -1.40 0.00 0.00 179.01 180.37 3hrk h TRP 445 N -0.07 0.98 -0.79 4.33 2.91 0.08 0.12 115.95 123.51 3hrk h TRP 445 Ca 0.03 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 3hrk h TRP 445 Cb 0.33 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 3hrk h TRP 445 CO 0.03 0.39 0.30 1.49 -1.03 0.00 0.00 178.44 179.62 3hrk h GLU 446 N 0.86 1.19 -0.18 2.65 4.22 -1.13 1.00 114.58 123.18 3hrk h GLU 446 Ca 0.46 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3hrk h GLU 446 Cb 0.56 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hrk h GLU 446 CO -0.23 0.97 0.00 0.54 -2.18 0.00 0.00 179.01 178.11 3hrk n ARG 447 N -4.28 0.76 -3.37 1.92 1.74 0.35 -4.87 116.66 108.91 3hrk n ARG 447 Ca 0.07 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.99 3hrk n ARG 447 Cb 0.19 -1.09 0.09 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.23 -0.35 3.37 -0.13 0.00 0.35 -5.00 105.19 103.66 3hrk n GLY 448 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.29 1.27 0.19 1.61 2.02 -0.75 -3.52 118.70 114.23 3hrk s GLU 449 Ca 0.01 -1.32 -0.00 0.00 0.02 0.00 0.00 54.97 53.68 3hrk s GLU 449 Cb -0.00 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 3hrk s GLU 449 CO 0.70 -0.47 0.09 0.14 0.02 0.00 0.00 175.26 175.74 3hrk s VAL 450 N -4.03 0.22 0.11 2.63 -7.23 0.12 -2.47 120.40 109.75 3hrk s VAL 450 Ca 0.24 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 3hrk s VAL 450 Cb 0.03 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 3hrk s VAL 450 CO 0.06 -0.18 0.29 -1.10 -0.31 0.00 0.00 175.10 173.85 3hrk s GLN 451 N -4.08 3.51 -0.04 4.82 -0.21 -0.20 -0.41 119.66 123.06 3hrk s GLN 451 Ca 0.33 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 3hrk s GLN 451 Cb 0.07 -2.95 0.03 0.00 1.00 0.00 0.00 33.01 31.17 3hrk s GLN 451 CO 0.09 0.53 0.04 0.08 -2.12 0.00 0.00 175.29 173.91 3hrk s VAL 452 N -1.61 -0.02 0.01 1.09 1.01 -1.21 -1.72 120.40 117.93 3hrk s VAL 452 Ca 0.37 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.74 3hrk s VAL 452 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3hrk s VAL 452 CO 0.27 0.16 -0.21 -0.75 0.00 0.00 0.00 175.10 174.56 3hrk s LYS 453 N 1.73 2.10 -0.03 2.72 2.20 -0.57 -2.58 119.74 125.32 3hrk s LYS 453 Ca -0.00 -0.94 0.03 0.00 -0.36 0.00 0.00 55.97 54.69 3hrk s LYS 453 Cb -0.12 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 3hrk s LYS 453 CO -0.03 0.55 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.77 3hrk s MET 454 N -1.04 2.54 -0.21 4.03 -1.94 -1.26 -1.38 119.30 120.04 3hrk s MET 454 Ca 0.12 -0.70 0.16 0.00 -1.71 0.00 0.00 55.69 53.57 3hrk s MET 454 Cb -0.10 -2.45 0.46 0.00 2.01 0.00 0.00 34.83 34.75 3hrk s MET 454 CO 0.02 0.62 1.17 1.28 -0.01 0.00 0.00 175.02 178.10 3hrk n LEU 455 N 1.97 2.70 0.00 -0.03 4.77 -1.12 -5.03 117.00 120.26 3hrk n LEU 455 Ca -0.17 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 3hrk n LEU 455 Cb 0.52 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hrk n LEU 455 CO 0.28 1.33 0.00 0.49 -1.33 0.00 0.00 177.39 178.15 3hrk n PHE 470 N -0.52 0.00 -2.13 -1.77 3.72 -1.06 -5.00 117.46 110.70 3hrk n PHE 470 Ca 0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.18 3hrk n PHE 470 Cb 0.90 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.35 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 -2.81 3.62 -0.07 4.37 0.00 -1.26 -3.35 121.76 122.25 3hrk s ALA 471 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.08 3hrk s ALA 471 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3hrk s ALA 471 CO 0.00 -0.79 -0.17 0.08 0.00 0.00 0.00 175.76 174.88 3hrk s VAL 472 N 1.72 1.48 0.76 0.00 1.01 0.45 -4.97 120.40 120.85 3hrk s VAL 472 Ca 0.66 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3hrk s VAL 472 Cb -0.36 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 34.76 3hrk s VAL 472 CO 0.30 0.43 1.09 -2.16 0.00 0.00 0.00 175.10 174.76 3hrk s PRO 473 N 0.45 2.36 0.04 2.72 0.04 -1.26 0.11 135.00 139.47 3hrk s PRO 473 Ca -0.14 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.33 3hrk s PRO 473 Cb -0.16 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 3hrk s PRO 473 CO 0.05 -1.43 1.44 -0.07 0.04 0.00 0.00 177.00 177.03 3hrk h LEU 474 N -0.95 0.21 -1.66 -3.56 4.07 -1.93 -2.54 115.31 108.96 3hrk h LEU 474 Ca -0.46 -0.35 0.14 0.00 0.08 0.00 0.00 57.88 57.29 3hrk h LEU 474 Cb 1.26 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 3hrk h LEU 474 CO 0.60 0.51 0.47 -2.24 -1.08 0.00 0.00 178.44 176.71 3hrk h ASP 475 N -0.09 0.32 -0.22 -0.43 2.03 -1.90 0.30 116.42 116.42 3hrk h ASP 475 Ca 0.03 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3hrk h ASP 475 Cb 0.42 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 3hrk h ASP 475 CO 0.01 0.17 0.00 0.54 -1.03 0.00 0.00 179.24 178.93 3hrk n ARG 476 N -4.46 1.63 -0.06 4.15 1.74 -0.98 -4.09 116.66 114.59 3hrk n ARG 476 Ca 0.13 -0.97 -0.20 0.00 -0.77 0.00 0.00 57.85 56.04 3hrk n ARG 476 Cb 0.53 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 3hrk n ARG 476 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3hrk h LEU 477 N 1.72 0.14 0.00 0.55 5.85 -0.16 -3.47 115.31 119.93 3hrk h LEU 477 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3hrk h LEU 477 Cb 0.39 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hrk h LEU 477 CO 0.00 1.44 0.00 1.33 -0.34 0.00 0.00 178.44 180.87