#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6r h LYS 7 N 0.00 0.97 -0.46 6.28 1.57 -2.01 -2.89 116.57 120.04 3k6r h LYS 7 Ca 0.00 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3k6r h LYS 7 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3k6r h LYS 7 CO 0.00 0.79 0.03 -1.35 -0.57 0.00 0.00 179.45 178.36 3k6r h PRO 8 N 0.95 0.78 -0.34 3.15 0.11 -2.04 -3.20 132.00 131.42 3k6r h PRO 8 Ca 0.22 -0.23 0.06 0.00 0.11 0.00 0.00 66.00 66.16 3k6r h PRO 8 Cb 0.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 3k6r h PRO 8 CO -0.02 0.82 0.23 0.00 -0.21 0.00 0.00 178.00 178.83 3k6r h ARG 9 N 0.64 0.21 0.06 1.05 3.08 -1.95 0.58 114.38 118.04 3k6r h ARG 9 Ca 0.13 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3k6r h ARG 9 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3k6r h ARG 9 CO 0.02 0.14 -0.03 0.82 -1.07 0.00 0.00 179.97 179.84 3k6r h ILE 10 N 0.21 1.23 -0.83 2.04 2.04 -1.57 -3.01 117.51 117.63 3k6r h ILE 10 Ca 0.15 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.94 3k6r h ILE 10 Cb 0.34 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 3k6r h ILE 10 CO -0.03 0.27 0.54 0.03 0.00 0.00 0.00 178.15 178.96 3k6r h ARG 11 N -0.57 1.09 -0.61 2.37 3.08 -1.29 -1.88 114.38 116.57 3k6r h ARG 11 Ca -0.01 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3k6r h ARG 11 Cb 0.50 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 3k6r h ARG 11 CO 0.01 0.73 0.24 0.93 -1.07 0.00 0.00 179.97 180.81 3k6r h GLU 12 N 1.12 0.42 -0.47 0.04 5.08 -1.01 0.85 114.58 120.61 3k6r h GLU 12 Ca 0.30 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3k6r h GLU 12 Cb -0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3k6r h GLU 12 CO -0.06 0.28 -0.17 0.82 -1.00 0.00 0.00 179.01 178.87 3k6r h ILE 13 N 0.43 1.27 0.00 3.13 2.04 -1.32 -3.32 117.51 119.74 3k6r h ILE 13 Ca 0.30 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3k6r h ILE 13 Cb 0.36 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3k6r h ILE 13 CO -0.29 0.45 -0.39 -0.07 0.00 0.00 0.00 178.15 177.85 3k6r h LEU 14 N 0.78 0.00 0.00 1.44 3.38 -1.01 -3.27 115.31 116.62 3k6r h LEU 14 Ca 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k6r h LEU 14 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3k6r h LEU 14 CO 0.06 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 3k6r n SER 15 N -2.34 0.00 -0.30 -0.43 3.41 0.26 -0.61 113.62 113.60 3k6r n SER 15 Ca 0.04 -1.60 0.03 0.00 -0.26 0.00 0.00 58.87 57.08 3k6r n SER 15 Cb 0.46 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 3k6r n SER 15 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k6r n LYS 16 N -0.60 1.20 0.00 4.33 5.02 -1.23 -4.70 118.16 122.18 3k6r n LYS 16 Ca 0.04 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 3k6r n LYS 16 Cb 0.02 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3k6r n LYS 16 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3k6r n GLU 17 N 0.24 1.92 -2.70 1.97 0.28 -1.14 -5.11 120.64 116.11 3k6r n GLU 17 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.69 3k6r n GLU 17 Cb 0.24 -0.38 -0.06 0.00 1.43 0.00 0.00 31.44 32.67 3k6r n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3k6r s LEU 18 N -0.58 4.19 0.21 -1.84 1.43 0.22 -5.03 118.68 117.28 3k6r s LEU 18 Ca 0.00 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.69 3k6r s LEU 18 Cb 0.00 -4.18 -0.16 0.00 0.03 0.00 0.00 46.19 41.88 3k6r s LEU 18 CO 0.00 -0.29 0.86 -2.65 0.23 0.00 0.00 176.35 174.50 3k6r n PRO 19 N 0.09 0.72 0.16 1.29 -0.02 -1.26 -4.81 135.00 131.16 3k6r n PRO 19 Ca 0.04 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 3k6r n PRO 19 Cb 0.51 -1.52 0.27 0.00 -0.02 0.00 0.00 33.50 32.74 3k6r n PRO 19 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k6r h GLU 20 N 1.96 0.02 0.00 -0.52 5.08 -1.95 -2.81 114.58 116.36 3k6r h GLU 20 Ca -0.37 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3k6r h GLU 20 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 3k6r h GLU 20 CO 0.61 0.49 -0.09 1.05 -1.00 0.00 0.00 179.01 180.07 3k6r h GLU 21 N 0.02 0.00 0.00 2.33 9.09 -2.03 -3.12 114.58 120.87 3k6r h GLU 21 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k6r h GLU 21 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3k6r h GLU 21 CO 0.06 0.09 -0.49 1.28 0.05 0.00 0.00 179.01 180.00 3k6r n LEU 22 N -3.17 0.72 0.03 3.06 4.77 -1.06 -4.04 117.00 117.32 3k6r n LEU 22 Ca 0.02 0.30 0.02 0.00 -0.03 0.00 0.00 56.01 56.31 3k6r n LEU 22 Cb 0.45 -0.21 0.36 0.00 -2.33 0.00 0.00 43.42 41.68 3k6r n LEU 22 CO 0.32 -0.08 0.99 0.58 -1.33 0.00 0.00 177.39 177.87 3k6r h VAL 23 N 0.00 1.16 0.00 4.08 2.07 -1.55 0.01 116.25 122.02 3k6r h VAL 23 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3k6r h VAL 23 Cb 0.74 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3k6r h VAL 23 CO 0.00 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.09 3k6r n LYS 24 N -4.34 0.23 0.00 1.57 5.02 -1.26 -3.36 118.16 116.02 3k6r n LYS 24 Ca 0.01 0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.47 3k6r n LYS 24 Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3k6r n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k6r n LEU 25 N -1.33 1.80 -4.77 -0.35 4.77 -0.02 -5.01 117.00 112.09 3k6r n LEU 25 Ca 0.09 -0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 3k6r n LEU 25 Cb 0.18 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3k6r n LEU 25 CO 0.16 0.34 1.11 -0.76 -1.33 0.00 0.00 177.39 176.91 3k6r s LEU 26 N -1.36 4.35 0.07 2.23 1.43 -1.17 -4.88 118.68 119.36 3k6r s LEU 26 Ca 0.13 2.92 -0.35 0.00 -1.03 0.00 0.00 54.13 55.80 3k6r s LEU 26 Cb 0.10 -3.66 -0.14 0.00 0.03 0.00 0.00 46.19 42.53 3k6r s LEU 26 CO 0.22 -0.79 1.61 -0.81 0.23 0.00 0.00 176.35 176.81 3k6r n PRO 27 N 0.94 1.91 0.00 1.29 -0.04 -1.22 -4.82 135.00 133.05 3k6r n PRO 27 Ca 0.02 0.69 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 3k6r n PRO 27 Cb 0.40 -2.45 0.20 0.00 -0.04 0.00 0.00 33.50 31.61 3k6r n PRO 27 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3k6r n LYS 28 N 4.04 1.14 -4.11 0.54 5.02 -1.26 -4.92 118.16 118.60 3k6r n LYS 28 Ca 0.19 -0.82 -0.08 0.00 -2.02 0.00 0.00 58.31 55.57 3k6r n LYS 28 Cb 0.26 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3k6r n LYS 28 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k6r s ARG 29 N -2.43 0.68 0.16 1.97 1.81 -1.26 -5.14 118.95 114.74 3k6r s ARG 29 Ca 0.23 -1.26 -0.24 0.00 -1.72 0.00 0.00 55.73 52.74 3k6r s ARG 29 Cb 0.19 0.10 0.06 0.00 -0.45 0.00 0.00 34.95 34.85 3k6r s ARG 29 CO 0.52 -0.09 0.75 1.67 -0.68 0.00 0.00 175.30 177.46 3k6r s TRP 30 N -3.84 -0.34 -0.24 -0.53 -2.14 -1.26 -4.53 118.94 106.05 3k6r s TRP 30 Ca 0.09 0.06 -0.04 0.00 2.66 0.00 0.00 56.10 58.87 3k6r s TRP 30 Cb 0.07 0.61 -0.00 0.00 -3.10 0.00 0.00 33.47 31.05 3k6r s TRP 30 CO -0.08 -0.90 -0.02 0.08 -2.66 0.00 0.00 176.95 173.37 3k6r s VAL 31 N -3.60 3.47 -0.28 -0.66 1.01 -0.56 -4.99 120.40 114.79 3k6r s VAL 31 Ca 0.06 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3k6r s VAL 31 Cb -0.02 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3k6r s VAL 31 CO -0.04 0.34 0.13 -0.60 0.00 0.00 0.00 175.10 174.93 3k6r s ARG 32 N 1.48 3.63 -0.24 2.72 3.52 -1.26 0.89 118.95 129.69 3k6r s ARG 32 Ca 0.05 -0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3k6r s ARG 32 Cb -0.15 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 3k6r s ARG 32 CO -0.02 -0.26 -0.09 0.42 -0.81 0.00 0.00 175.30 174.54 3k6r s ILE 33 N 1.65 2.66 0.00 4.11 1.01 0.20 -4.95 121.20 125.88 3k6r s ILE 33 Ca 0.06 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3k6r s ILE 33 Cb -0.16 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.97 3k6r s ILE 33 CO 0.06 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3k6r n GLY 34 N 4.63 3.49 1.93 6.18 0.00 -1.26 -0.72 105.19 119.44 3k6r n GLY 34 Ca -0.17 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.01 3k6r n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k6r n ASP 35 N 5.55 5.50 -4.18 1.61 8.00 -1.26 -4.93 116.55 126.83 3k6r n ASP 35 Ca 0.00 -3.01 -0.26 0.00 0.71 0.00 0.00 54.79 52.23 3k6r n ASP 35 Cb 0.00 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.24 3k6r n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k6r s VAL 36 N -2.82 1.52 -0.11 2.53 1.01 0.10 -1.47 120.40 121.16 3k6r s VAL 36 Ca 0.55 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3k6r s VAL 36 Cb 0.42 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3k6r s VAL 36 CO 0.15 0.43 -0.08 -0.22 0.00 0.00 0.00 175.10 175.39 3k6r s LEU 37 N -0.28 3.07 -0.44 3.92 2.96 -0.53 -0.63 118.68 126.75 3k6r s LEU 37 Ca 0.03 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 3k6r s LEU 37 Cb -0.09 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3k6r s LEU 37 CO 0.00 0.25 0.31 -0.76 -1.32 0.00 0.00 176.35 174.84 3k6r s LEU 38 N -0.14 5.31 -0.29 -0.68 1.02 0.26 -1.14 118.68 123.02 3k6r s LEU 38 Ca 0.01 -1.36 -0.10 0.00 0.02 0.00 0.00 54.13 52.70 3k6r s LEU 38 Cb -0.13 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 43.97 3k6r s LEU 38 CO 0.03 -0.57 0.16 -0.22 0.02 0.00 0.00 176.35 175.77 3k6r s LEU 39 N 1.54 3.95 0.95 1.79 2.96 -0.20 -1.49 118.68 128.19 3k6r s LEU 39 Ca 0.03 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 3k6r s LEU 39 Cb -0.23 -2.04 0.19 0.00 0.50 0.00 0.00 46.19 44.61 3k6r s LEU 39 CO 0.05 -0.11 1.30 -2.16 -1.32 0.00 0.00 176.35 174.11 3k6r s PRO 40 N 1.68 0.72 0.00 0.98 0.04 -1.26 -3.37 135.00 133.78 3k6r s PRO 40 Ca 0.06 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.77 3k6r s PRO 40 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3k6r s PRO 40 CO 0.08 -2.38 0.00 1.28 0.04 0.00 0.00 177.00 176.02 3k6r n LEU 41 N -3.76 0.00 0.02 -3.56 4.77 -1.26 -4.58 117.00 108.63 3k6r n LEU 41 Ca 0.14 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 3k6r n LEU 41 Cb 0.60 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 3k6r n LEU 41 CO 0.47 0.00 -0.32 -0.65 -1.33 0.00 0.00 177.39 175.56 3k6r h PRO 43 N 0.00 0.09 0.00 3.23 0.10 -2.02 -3.23 132.00 130.17 3k6r h PRO 43 Ca 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.00 65.95 3k6r h PRO 43 Cb 0.00 0.05 0.00 0.00 0.10 0.00 0.00 31.00 31.15 3k6r h PRO 43 CO 0.00 0.84 0.00 0.93 0.10 0.00 0.00 178.00 179.87 3k6r h GLU 44 N 0.02 0.00 -0.00 1.05 3.07 -2.03 -2.95 114.58 113.74 3k6r h GLU 44 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 3k6r h GLU 44 Cb 1.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.87 3k6r h GLU 44 CO 0.12 0.00 -0.18 1.28 -1.40 0.00 0.00 179.01 178.83 3k6r n LEU 45 N -2.89 0.20 -0.33 1.33 4.77 -1.26 -4.43 117.00 114.39 3k6r n LEU 45 Ca 0.02 0.30 0.05 0.00 -0.03 0.00 0.00 56.01 56.34 3k6r n LEU 45 Cb 0.36 -0.39 0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3k6r n LEU 45 CO 0.28 0.05 0.68 -0.33 -1.33 0.00 0.00 177.39 176.73 3k6r h GLU 46 N 0.03 -0.00 0.00 3.23 5.08 -1.96 -0.61 114.58 120.35 3k6r h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k6r h GLU 46 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3k6r h GLU 46 CO 0.00 -0.00 0.00 -2.30 -1.00 0.00 0.00 179.01 175.71 3k6r n PRO 47 N -5.59 0.05 0.00 2.33 -0.02 -1.26 -1.73 135.00 128.79 3k6r n PRO 47 Ca 0.14 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3k6r n PRO 47 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3k6r n PRO 47 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k6r n TYR 48 N -1.21 0.00 -0.27 6.00 4.01 -0.29 -4.91 117.16 120.49 3k6r n TYR 48 Ca 0.02 -0.12 0.06 0.00 -0.16 0.00 0.00 57.90 57.70 3k6r n TYR 48 Cb 0.02 -0.01 0.21 0.00 -0.31 0.00 0.00 39.34 39.24 3k6r n TYR 48 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3k6r h LYS 49 N 0.00 0.47 0.05 -0.72 2.10 -0.77 0.85 116.57 118.56 3k6r h LYS 49 Ca 0.00 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3k6r h LYS 49 Cb 0.83 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3k6r h LYS 49 CO 0.00 0.31 -0.03 0.45 -2.00 0.00 0.00 179.45 178.19 3k6r h HIS 50 N 0.49 -0.07 -0.50 0.07 3.86 -1.83 0.12 115.15 117.28 3k6r h HIS 50 Ca 0.44 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.75 3k6r h HIS 50 Cb 0.67 0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.08 3k6r h HIS 50 CO -0.14 0.41 0.01 -0.09 0.86 0.00 0.00 177.93 178.97 3k6r h ARG 51 N -0.58 0.12 0.53 2.45 9.65 -1.80 -1.69 114.38 123.06 3k6r h ARG 51 Ca -0.01 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3k6r h ARG 51 Cb 0.51 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3k6r h ARG 51 CO 0.01 0.08 -0.43 0.82 2.80 0.00 0.00 179.97 183.25 3k6r h ILE 52 N 0.12 0.00 -0.83 1.20 2.04 0.89 -2.86 117.51 118.08 3k6r h ILE 52 Ca 0.26 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.29 3k6r h ILE 52 Cb 0.38 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 3k6r h ILE 52 CO -0.42 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.29 3k6r h ALA 53 N -1.13 2.19 -0.64 1.87 0.00 -0.56 -0.88 119.26 120.10 3k6r h ALA 53 Ca -0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3k6r h ALA 53 Cb 0.78 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3k6r h ALA 53 CO 0.00 -0.43 0.30 1.49 0.00 0.00 0.00 179.25 180.61 3k6r h GLU 54 N 0.39 0.91 0.15 0.00 4.81 -1.09 -1.00 114.58 118.75 3k6r h GLU 54 Ca 0.42 -0.12 -0.29 0.00 -0.13 0.00 0.00 59.36 59.24 3k6r h GLU 54 Cb 1.04 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.26 3k6r h GLU 54 CO -0.14 0.71 -1.30 -0.39 -0.73 0.00 0.00 179.01 177.16 3k6r h VAL 55 N 0.90 1.45 -0.91 0.32 -1.51 -1.02 -2.24 116.25 113.24 3k6r h VAL 55 Ca 0.22 -2.99 0.01 0.00 -1.23 0.00 0.00 66.70 62.71 3k6r h VAL 55 Cb 0.11 2.95 -0.05 0.00 -2.13 0.00 0.00 31.29 32.17 3k6r h VAL 55 CO -0.03 0.88 0.60 1.88 -1.23 0.00 0.00 177.57 179.67 3k6r h TYR 56 N 0.09 1.15 -0.41 5.19 -1.99 -1.25 -1.38 116.97 118.36 3k6r h TYR 56 Ca -0.16 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 3k6r h TYR 56 Cb 2.01 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 40.34 3k6r h TYR 56 CO 0.07 0.72 -0.01 0.00 -0.00 0.00 0.00 178.16 178.95 3k6r h ALA 57 N 1.34 0.56 0.36 3.88 0.00 -1.21 0.24 119.26 124.43 3k6r h ALA 57 Ca 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3k6r h ALA 57 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3k6r h ALA 57 CO -0.08 0.34 -0.19 1.49 0.00 0.00 0.00 179.25 180.82 3k6r h GLU 58 N 0.56 -0.50 -0.30 0.00 4.22 -1.18 0.10 114.58 117.49 3k6r h GLU 58 Ca 0.12 0.03 -0.16 0.00 0.08 0.00 0.00 59.36 59.43 3k6r h GLU 58 Cb 0.49 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3k6r h GLU 58 CO 0.02 -0.33 -0.45 -0.24 -2.18 0.00 0.00 179.01 175.83 3k6r h VAL 59 N -0.51 1.28 0.00 0.32 3.04 -1.28 -3.26 116.25 115.84 3k6r h VAL 59 Ca -0.04 -1.64 -0.12 0.00 -1.01 0.00 0.00 66.70 63.89 3k6r h VAL 59 Cb 0.41 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.27 3k6r h VAL 59 CO 0.06 0.53 -0.58 -0.07 -1.01 0.00 0.00 177.57 176.50 3k6r h LEU 60 N 0.61 0.00 -1.23 3.16 4.07 -0.99 -3.48 115.31 117.45 3k6r h LEU 60 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3k6r h LEU 60 Cb 1.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.79 3k6r h LEU 60 CO 0.10 0.58 0.00 0.61 -1.08 0.00 0.00 178.44 178.66 3k6r n GLY 61 N 0.97 0.84 3.80 0.83 0.00 -0.02 -5.05 105.19 106.55 3k6r n GLY 61 Ca 0.01 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 3k6r n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k6r s VAL 62 N -2.99 4.33 -0.14 1.61 -7.23 -0.93 -5.02 120.40 110.04 3k6r s VAL 62 Ca 0.00 -1.44 0.18 0.00 -1.81 0.00 0.00 61.98 58.91 3k6r s VAL 62 Cb 0.00 -3.33 -0.11 0.00 0.56 0.00 0.00 36.38 33.50 3k6r s VAL 62 CO 0.00 -0.33 0.88 0.07 -0.31 0.00 0.00 175.10 175.40 3k6r h LYS 63 N 1.61 0.00 -3.58 4.82 2.10 -1.59 -3.44 116.57 116.50 3k6r h LYS 63 Ca -0.48 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.06 3k6r h LYS 63 Cb 1.24 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.39 3k6r h LYS 63 CO 0.61 0.25 -0.40 0.99 -2.00 0.00 0.00 179.45 178.90 3k6r s THR 64 N -2.99 0.11 -0.03 0.07 2.01 -1.24 -4.35 115.64 109.21 3k6r s THR 64 Ca -0.02 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 3k6r s THR 64 Cb 0.09 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.71 3k6r s THR 64 CO 0.81 -0.50 0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 3k6r s VAL 65 N -2.58 0.10 0.29 3.82 1.01 -0.50 -1.46 120.40 121.07 3k6r s VAL 65 Ca -0.05 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.20 3k6r s VAL 65 Cb -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3k6r s VAL 65 CO -0.04 0.15 -0.08 -0.76 0.00 0.00 0.00 175.10 174.37 3k6r s LEU 66 N 1.27 2.91 -0.12 3.92 1.43 -0.29 -1.13 118.68 126.66 3k6r s LEU 66 Ca -0.06 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 3k6r s LEU 66 Cb -0.13 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3k6r s LEU 66 CO -0.02 -0.03 0.06 -0.60 0.23 0.00 0.00 176.35 175.99 3k6r s ARG 67 N -3.62 3.38 -0.04 1.70 3.52 0.50 -1.03 118.95 123.37 3k6r s ARG 67 Ca 0.31 -0.30 -0.12 0.00 -0.13 0.00 0.00 55.73 55.50 3k6r s ARG 67 Cb -0.04 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 3k6r s ARG 67 CO 0.18 0.62 0.54 1.57 -0.81 0.00 0.00 175.30 177.40 3k6r h LYS 68 N 5.47 -0.41 0.00 5.12 5.09 -1.90 -3.16 116.57 126.79 3k6r h LYS 68 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.28 3k6r h LYS 68 Cb 1.20 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.62 3k6r h LYS 68 CO 0.59 -0.27 0.00 0.41 -2.09 0.00 0.00 179.45 178.09 3k6r n GLY 69 N 0.59 0.00 3.29 0.07 0.00 -1.26 -4.91 105.19 102.97 3k6r n GLY 69 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3k6r n GLY 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k6r s TYR 80 N 0.00 2.04 -0.23 1.61 6.14 -1.26 -5.22 117.35 120.43 3k6r s TYR 80 Ca 0.00 -0.39 -0.12 0.00 0.64 0.00 0.00 57.07 57.20 3k6r s TYR 80 Cb 0.00 -1.23 -0.05 0.00 0.42 0.00 0.00 41.96 41.11 3k6r s TYR 80 CO 0.00 0.10 0.23 -2.00 0.64 0.00 0.00 175.55 174.52 3k6r s GLU 81 N -1.15 4.08 0.24 4.97 2.12 -1.20 -4.89 118.70 122.88 3k6r s GLU 81 Ca 0.09 -0.14 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 3k6r s GLU 81 Cb -0.09 -3.55 -0.10 0.00 0.26 0.00 0.00 34.13 30.65 3k6r s GLU 81 CO 0.02 0.00 1.38 -1.17 -0.54 0.00 0.00 175.26 174.94 3k6r s LEU 82 N 1.22 4.40 0.00 2.70 2.96 -1.26 -0.37 118.68 128.33 3k6r s LEU 82 Ca 0.11 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 3k6r s LEU 82 Cb -0.14 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3k6r s LEU 82 CO 0.06 -0.61 0.00 0.18 -1.32 0.00 0.00 176.35 174.66 3k6r n LEU 83 N 2.27 1.22 -3.77 -0.68 4.77 -0.28 -4.89 117.00 115.64 3k6r n LEU 83 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 3k6r n LEU 83 Cb 0.41 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3k6r n LEU 83 CO 0.59 0.20 -0.08 -0.47 -1.33 0.00 0.00 177.39 176.31 3k6r s TYR 84 N -1.69 -0.31 0.01 -1.77 6.14 -0.98 -4.64 117.35 114.11 3k6r s TYR 84 Ca 0.00 0.75 0.00 0.00 0.64 0.00 0.00 57.07 58.46 3k6r s TYR 84 Cb 0.00 0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.48 3k6r s TYR 84 CO 0.00 -0.17 0.00 0.41 0.64 0.00 0.00 175.55 176.43 3k6r n GLY 85 N 3.23 -1.85 0.00 8.97 0.00 -1.26 -1.42 105.19 112.87 3k6r n GLY 85 Ca -0.16 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3k6r n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k6r n SER 86 N -0.09 1.96 -4.58 1.61 3.41 -1.26 -4.91 113.62 109.75 3k6r n SER 86 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3k6r n SER 86 Cb 0.01 0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 3k6r n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k6r s ASP 87 N -1.77 6.51 0.00 4.04 2.15 -1.26 -4.91 116.67 121.43 3k6r s ASP 87 Ca 0.00 0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.48 3k6r s ASP 87 Cb 0.00 -2.37 0.07 0.00 -0.30 0.00 0.00 42.92 40.32 3k6r s ASP 87 CO 0.00 -0.69 1.13 0.35 -0.17 0.00 0.00 175.17 175.79 3k6r n THR 88 N 5.73 0.00 -3.23 1.71 -2.24 -1.26 -4.60 114.28 110.38 3k6r n THR 88 Ca 0.02 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.05 3k6r n THR 88 Cb 0.48 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 70.01 3k6r n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3k6r s VAL 89 N -2.22 5.15 0.24 2.28 1.01 -1.26 -0.69 120.40 124.91 3k6r s VAL 89 Ca 0.22 1.10 -0.15 0.00 0.00 0.00 0.00 61.98 63.15 3k6r s VAL 89 Cb 0.18 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3k6r s VAL 89 CO 0.45 0.30 0.52 0.28 0.00 0.00 0.00 175.10 176.65 3k6r s THR 90 N 0.68 0.01 -0.26 3.92 -1.32 -0.96 -5.00 115.64 112.70 3k6r s THR 90 Ca 0.29 -1.22 -0.02 0.00 -1.21 0.00 0.00 61.69 59.54 3k6r s THR 90 Cb -0.16 -2.03 0.03 0.00 -1.51 0.00 0.00 72.50 68.83 3k6r s THR 90 CO 0.13 -0.04 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.77 3k6r s VAL 91 N -3.97 2.93 -0.08 5.08 1.01 -1.26 -1.53 120.40 122.57 3k6r s VAL 91 Ca 0.18 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3k6r s VAL 91 Cb -0.01 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3k6r s VAL 91 CO 0.06 0.10 0.57 -2.28 0.00 0.00 0.00 175.10 173.55 3k6r s HIS 92 N 1.31 3.57 -0.20 5.22 2.46 0.37 -4.35 115.29 123.67 3k6r s HIS 92 Ca -0.01 1.06 -0.06 0.00 0.47 0.00 0.00 55.06 56.51 3k6r s HIS 92 Cb -0.18 -2.63 -0.03 0.00 -0.13 0.00 0.00 32.58 29.61 3k6r s HIS 92 CO -0.03 0.18 0.02 0.08 -2.47 0.00 0.00 174.74 172.52 3k6r s VAL 93 N 0.51 4.17 -0.18 0.89 1.01 -1.26 -0.65 120.40 124.89 3k6r s VAL 93 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3k6r s VAL 93 Cb -0.16 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.41 3k6r s VAL 93 CO 0.14 0.43 0.39 -0.70 0.00 0.00 0.00 175.10 175.36 3k6r s GLU 94 N 0.86 0.30 -1.53 2.72 2.12 -0.38 -4.86 118.70 117.93 3k6r s GLU 94 Ca 0.02 0.96 -0.14 0.00 0.36 0.00 0.00 54.97 56.17 3k6r s GLU 94 Cb -0.14 0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.57 3k6r s GLU 94 CO 0.02 -0.25 1.00 -1.71 -0.54 0.00 0.00 175.26 173.78 3k6r n ASN 95 N 5.27 -4.92 0.00 -1.70 5.15 -1.26 -1.01 115.26 116.79 3k6r n ASN 95 Ca -0.10 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.12 3k6r n ASN 95 Cb 0.50 -3.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.82 3k6r n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k6r n GLY 96 N -1.71 0.82 3.66 8.20 0.00 -1.26 -5.01 105.19 109.88 3k6r n GLY 96 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3k6r n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k6r s ILE 97 N -3.31 4.40 -0.22 -0.61 -1.09 -0.18 -5.08 121.20 115.10 3k6r s ILE 97 Ca 0.00 -0.20 -0.15 0.00 -2.23 0.00 0.00 60.65 58.07 3k6r s ILE 97 Cb 0.00 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 3k6r s ILE 97 CO 0.00 0.56 0.38 -0.54 -1.23 0.00 0.00 174.94 174.11 3k6r s LYS 98 N -0.47 4.13 -0.38 2.79 1.02 -1.26 -1.25 119.74 124.31 3k6r s LYS 98 Ca 0.09 0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.25 3k6r s LYS 98 Cb -0.12 -3.57 0.11 0.00 -0.52 0.00 0.00 37.83 33.73 3k6r s LYS 98 CO 0.02 -0.09 0.10 0.71 -0.92 0.00 0.00 175.35 175.17 3k6r s TYR 99 N 1.48 3.54 0.21 3.18 2.02 0.18 -4.83 117.35 123.13 3k6r s TYR 99 Ca 0.17 -2.99 -0.25 0.00 -0.37 0.00 0.00 57.07 53.64 3k6r s TYR 99 Cb -0.15 -2.85 -0.08 0.00 -0.40 0.00 0.00 41.96 38.48 3k6r s TYR 99 CO 0.08 -0.90 0.80 0.21 -1.57 0.00 0.00 175.55 174.17 3k6r s LYS 100 N 0.67 4.54 0.26 -0.62 2.20 -1.26 -0.48 119.74 125.05 3k6r s LYS 100 Ca 0.12 1.16 -0.21 0.00 -0.36 0.00 0.00 55.97 56.68 3k6r s LYS 100 Cb -0.20 -3.13 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 3k6r s LYS 100 CO -0.07 0.49 0.68 -0.48 -0.36 0.00 0.00 175.35 175.61 3k6r s LEU 101 N -1.43 -0.26 -0.51 5.43 0.05 -0.58 -4.80 118.68 116.57 3k6r s LEU 101 Ca 0.40 -0.53 -0.19 0.00 0.05 0.00 0.00 54.13 53.85 3k6r s LEU 101 Cb -0.22 2.63 0.06 0.00 -2.05 0.00 0.00 46.19 46.61 3k6r s LEU 101 CO 0.25 -1.27 0.64 -0.62 -0.55 0.00 0.00 176.35 174.81 3k6r s ASP 102 N -2.90 6.23 0.50 1.48 -1.08 -1.26 -2.27 116.67 117.37 3k6r s ASP 102 Ca 0.10 -0.92 0.19 0.00 -0.52 0.00 0.00 52.55 51.39 3k6r s ASP 102 Cb -0.05 -2.30 1.25 0.00 -1.46 0.00 0.00 42.92 40.37 3k6r s ASP 102 CO 0.04 -0.92 2.05 0.58 0.52 0.00 0.00 175.17 177.44 3k6r h VAL 103 N 5.87 0.88 0.00 1.11 2.07 -1.17 0.63 116.25 125.64 3k6r h VAL 103 Ca -0.28 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3k6r h VAL 103 Cb 1.09 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3k6r h VAL 103 CO 0.98 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.59 3k6r h ALA 104 N 1.83 1.00 0.00 1.67 0.00 -1.93 -3.36 119.26 118.46 3k6r h ALA 104 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k6r h ALA 104 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k6r h ALA 104 CO -0.02 0.00 -0.97 1.63 0.00 0.00 0.00 179.25 179.89 3k6r n LYS 105 N -2.98 1.89 0.00 0.00 4.76 -0.53 -4.03 118.16 117.27 3k6r n LYS 105 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3k6r n LYS 105 Cb 0.45 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 3k6r n LYS 105 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3k6r n ILE 106 N -1.69 0.00 0.00 -0.18 5.41 0.10 -5.05 119.36 117.94 3k6r n ILE 106 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3k6r n ILE 106 Cb 0.23 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 3k6r n ILE 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 3k6r n PHE 108 N 0.00 0.00 -3.84 1.39 7.35 -1.26 -4.66 117.46 116.44 3k6r n PHE 108 Ca 0.00 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.33 3k6r n PHE 108 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 3k6r n PHE 108 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3k6r s SER 109 N 0.00 4.91 0.65 -2.13 0.01 -1.26 -4.95 113.70 110.93 3k6r s SER 109 Ca 0.00 -0.97 0.34 0.00 1.31 0.00 0.00 55.95 56.63 3k6r s SER 109 Cb 0.00 -1.79 1.84 0.00 0.21 0.00 0.00 66.02 66.28 3k6r s SER 109 CO 0.00 -0.22 2.07 -0.65 0.41 0.00 0.00 173.24 174.85 3k6r h PRO 110 N 8.12 0.00 0.00 12.44 0.11 -2.02 -1.87 132.00 148.79 3k6r h PRO 110 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3k6r h PRO 110 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3k6r h PRO 110 CO 0.58 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.21 3k6r h ALA 111 N 1.58 1.11 -0.29 -0.75 0.00 -2.00 -2.75 119.26 116.16 3k6r h ALA 111 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3k6r h ALA 111 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3k6r h ALA 111 CO -0.00 0.20 0.05 0.09 0.00 0.00 0.00 179.25 179.59 3k6r n ASN 112 N -3.44 3.18 -0.32 0.00 4.13 -0.70 -4.50 115.26 113.61 3k6r n ASN 112 Ca -0.01 -2.47 0.12 0.00 1.68 0.00 0.00 54.58 53.90 3k6r n ASN 112 Cb 0.34 -0.60 0.35 0.00 -1.54 0.00 0.00 39.78 38.33 3k6r n ASN 112 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 3k6r h VAL 113 N 1.57 0.78 -0.77 2.41 3.04 -1.66 -2.62 116.25 119.00 3k6r h VAL 113 Ca 0.05 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 3k6r h VAL 113 Cb 1.29 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.50 3k6r h VAL 113 CO 0.27 0.14 0.43 0.11 -1.01 0.00 0.00 177.57 177.51 3k6r h LYS 114 N 0.74 1.06 -0.07 4.17 1.57 -1.88 -0.83 116.57 121.33 3k6r h LYS 114 Ca 0.51 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 59.02 3k6r h LYS 114 Cb 0.81 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3k6r h LYS 114 CO -0.28 0.77 -0.68 1.49 -0.57 0.00 0.00 179.45 180.18 3k6r h GLU 115 N 1.07 0.31 0.00 3.15 4.57 -1.83 -1.22 114.58 120.62 3k6r h GLU 115 Ca 0.27 -0.24 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 3k6r h GLU 115 Cb 0.01 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3k6r h GLU 115 CO -0.05 0.87 -0.62 0.00 -1.18 0.00 0.00 179.01 178.03 3k6r h ARG 116 N 0.21 0.00 -0.38 1.92 3.08 -1.35 -2.75 114.38 115.11 3k6r h ARG 116 Ca -0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3k6r h ARG 116 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3k6r h ARG 116 CO 0.11 0.62 -0.20 0.28 -1.07 0.00 0.00 179.97 179.71 3k6r h VAL 117 N 0.00 1.28 0.00 2.04 2.07 -1.13 -2.69 116.25 117.82 3k6r h VAL 117 Ca -0.01 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3k6r h VAL 117 Cb 1.13 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3k6r h VAL 117 CO 0.08 0.44 0.00 -1.14 0.02 0.00 0.00 177.57 176.97 3k6r n ARG 118 N -4.25 0.00 0.00 1.57 0.63 -0.47 -3.16 116.66 110.97 3k6r n ARG 118 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3k6r n ARG 118 Cb 0.43 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.88 3k6r n ARG 118 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k6r n ALA 120 N 0.96 0.00 0.92 5.13 0.00 -1.02 -2.76 120.51 123.74 3k6r n ALA 120 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3k6r n ALA 120 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3k6r n ALA 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k6r n LYS 121 N 0.00 1.49 0.05 0.00 5.02 -1.19 -3.85 118.16 119.68 3k6r n LYS 121 Ca 0.00 -1.12 -0.20 0.00 -2.02 0.00 0.00 58.31 54.97 3k6r n LYS 121 Cb 0.00 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 33.44 3k6r n LYS 121 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3k6r h VAL 122 N 2.67 0.91 -3.36 -0.18 -1.51 -1.85 -3.49 116.25 109.45 3k6r h VAL 122 Ca 0.00 -2.56 -0.53 0.00 -1.23 0.00 0.00 66.70 62.39 3k6r h VAL 122 Cb 0.74 2.68 -0.02 0.00 -2.13 0.00 0.00 31.29 32.56 3k6r h VAL 122 CO 0.00 0.83 -0.10 0.00 -1.23 0.00 0.00 177.57 177.07 3k6r s ALA 123 N -2.59 3.57 0.22 5.19 0.00 -1.26 -5.10 121.76 121.79 3k6r s ALA 123 Ca -0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3k6r s ALA 123 Cb 0.06 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 3k6r s ALA 123 CO 0.83 0.34 0.41 0.15 0.00 0.00 0.00 175.76 177.50 3k6r s LYS 124 N -3.23 3.52 0.52 0.00 1.02 -1.26 -4.72 119.74 115.58 3k6r s LYS 124 Ca 0.46 -0.34 0.30 0.00 0.02 0.00 0.00 55.97 56.41 3k6r s LYS 124 Cb -0.11 -2.81 1.31 0.00 -0.52 0.00 0.00 37.83 35.70 3k6r s LYS 124 CO 0.26 0.37 1.98 -1.00 -0.92 0.00 0.00 175.35 176.04 3k6r h PRO 125 N 1.84 0.00 -0.05 -1.68 0.14 -1.83 -2.39 132.00 128.03 3k6r h PRO 125 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 3k6r h PRO 125 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.33 3k6r h PRO 125 CO 0.67 0.10 0.00 -0.40 0.14 0.00 0.00 178.00 178.51 3k6r n ASP 126 N -3.29 0.81 -4.79 1.44 5.75 -1.26 -4.11 116.55 111.10 3k6r n ASP 126 Ca -0.00 -1.43 -0.35 0.00 -0.01 0.00 0.00 54.79 53.00 3k6r n ASP 126 Cb 0.32 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 3k6r n ASP 126 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3k6r s GLU 127 N -1.94 3.89 -0.31 0.11 2.02 -0.90 -4.90 118.70 116.67 3k6r s GLU 127 Ca 0.36 1.44 -0.10 0.00 0.02 0.00 0.00 54.97 56.68 3k6r s GLU 127 Cb 0.18 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 3k6r s GLU 127 CO 0.29 -0.37 0.16 -1.17 0.02 0.00 0.00 175.26 174.19 3k6r s LEU 128 N -3.23 4.09 -0.15 1.80 2.96 -1.26 -1.82 118.68 121.08 3k6r s LEU 128 Ca 0.65 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 3k6r s LEU 128 Cb -0.19 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3k6r s LEU 128 CO 0.23 -0.18 0.05 -0.69 -1.32 0.00 0.00 176.35 174.44 3k6r s VAL 129 N 1.63 4.67 -0.20 1.68 1.01 0.33 -0.99 120.40 128.54 3k6r s VAL 129 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3k6r s VAL 129 Cb -0.17 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3k6r s VAL 129 CO 0.07 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 3k6r s VAL 130 N -0.15 2.94 0.47 2.92 1.01 -0.22 -0.11 120.40 127.27 3k6r s VAL 130 Ca 0.07 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3k6r s VAL 130 Cb -0.12 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3k6r s VAL 130 CO 0.01 0.47 0.54 -0.62 0.00 0.00 0.00 175.10 175.51 3k6r s ASP 131 N 1.27 5.20 0.00 3.32 -1.08 0.47 -0.76 116.67 125.09 3k6r s ASP 131 Ca 0.03 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.33 3k6r s ASP 131 Cb -0.14 -0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.07 3k6r s ASP 131 CO -0.05 -0.92 0.16 0.49 0.52 0.00 0.00 175.17 175.38 3k6r n PHE 133 N -1.84 0.00 0.21 -5.34 3.72 -1.24 -0.85 117.46 112.12 3k6r n PHE 133 Ca 0.07 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 3k6r n PHE 133 Cb 0.61 -0.13 0.48 0.00 -0.94 0.00 0.00 39.48 39.50 3k6r n PHE 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k6r h ALA 134 N 2.28 1.36 -0.92 4.37 0.00 -1.29 -3.43 119.26 121.63 3k6r h ALA 134 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k6r h ALA 134 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k6r h ALA 134 CO 0.16 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3k6r n GLY 135 N -0.52 3.44 0.74 0.00 0.00 -1.26 -0.44 105.19 107.14 3k6r n GLY 135 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.96 3k6r n GLY 135 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k6r n ILE 136 N 0.00 0.45 0.00 -0.61 -5.35 -1.26 -4.38 119.36 108.21 3k6r n ILE 136 Ca 0.00 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 3k6r n ILE 136 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 3k6r n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k6r n GLY 137 N 1.18 1.27 0.33 3.28 0.00 0.41 -4.08 105.19 107.58 3k6r n GLY 137 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3k6r n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k6r n HIS 138 N -1.28 -0.21 -0.02 1.61 -0.00 -1.20 -0.69 115.22 113.43 3k6r n HIS 138 Ca 0.00 1.02 0.05 0.00 -0.00 0.00 0.00 57.72 58.79 3k6r n HIS 138 Cb 0.00 -0.66 -0.14 0.00 -0.00 0.00 0.00 29.99 29.19 3k6r n HIS 138 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3k6r n LEU 139 N -5.09 0.16 -0.01 2.41 4.77 -1.26 -4.52 117.00 113.46 3k6r n LEU 139 Ca 0.04 0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3k6r n LEU 139 Cb 0.26 0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3k6r n LEU 139 CO -0.12 0.12 -0.57 -1.54 -1.33 0.00 0.00 177.39 173.94 3k6r n SER 140 N -2.48 0.64 -0.25 -1.43 3.41 -1.01 -4.16 113.62 108.35 3k6r n SER 140 Ca -0.11 0.29 -0.04 0.00 -0.26 0.00 0.00 58.87 58.75 3k6r n SER 140 Cb 0.74 0.37 0.06 0.00 -0.26 0.00 0.00 64.21 65.12 3k6r n SER 140 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3k6r h LEU 141 N 0.00 0.76 -1.40 1.04 3.38 -1.14 -1.17 115.31 116.79 3k6r h LEU 141 Ca -0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3k6r h LEU 141 Cb 1.82 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 3k6r h LEU 141 CO 0.05 0.54 0.23 -0.65 0.09 0.00 0.00 178.44 178.70 3k6r h PRO 142 N 0.91 0.63 0.01 1.13 0.11 -1.80 -0.42 132.00 132.58 3k6r h PRO 142 Ca 0.26 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3k6r h PRO 142 Cb -0.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.92 3k6r h PRO 142 CO -0.08 0.49 -0.01 0.82 -0.21 0.00 0.00 178.00 179.02 3k6r h ILE 143 N 0.64 1.14 -0.56 4.15 2.04 -1.65 -0.59 117.51 122.67 3k6r h ILE 143 Ca 0.16 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3k6r h ILE 143 Cb 0.06 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3k6r h ILE 143 CO -0.02 0.12 0.17 0.00 0.00 0.00 0.00 178.15 178.41 3k6r h ALA 144 N 0.77 0.73 0.07 1.87 0.00 -0.83 -1.44 119.26 120.44 3k6r h ALA 144 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k6r h ALA 144 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3k6r h ALA 144 CO 0.00 0.40 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 3k6r h VAL 145 N 0.78 1.22 0.05 0.00 2.07 -1.11 -3.00 116.25 116.27 3k6r h VAL 145 Ca 0.18 -1.33 -0.29 0.00 0.82 0.00 0.00 66.70 66.08 3k6r h VAL 145 Cb 0.30 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3k6r h VAL 145 CO -0.00 0.31 -1.56 -1.22 0.02 0.00 0.00 177.57 175.12 3k6r n TYR 146 N -4.85 1.09 0.25 1.57 4.01 -0.23 -4.33 117.16 114.68 3k6r n TYR 146 Ca -0.08 0.37 0.14 0.00 -0.16 0.00 0.00 57.90 58.16 3k6r n TYR 146 Cb 0.29 -1.12 0.38 0.00 -0.31 0.00 0.00 39.34 38.58 3k6r n TYR 146 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3k6r h GLY 147 N -0.21 0.00 -0.13 2.72 0.00 -1.29 -3.47 103.07 100.68 3k6r h GLY 147 Ca -0.39 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3k6r h GLY 147 CO -0.10 0.00 -0.05 1.17 0.00 0.00 0.00 176.54 177.56 3k6r n LYS 148 N -3.06 -1.35 -1.41 4.80 3.00 -0.75 -3.20 118.16 116.18 3k6r n LYS 148 Ca 0.03 0.48 -0.30 0.00 -0.00 0.00 0.00 58.31 58.52 3k6r n LYS 148 Cb 0.44 -4.56 0.11 0.00 0.00 0.00 0.00 35.03 31.02 3k6r n LYS 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k6r s ALA 149 N -1.52 1.93 0.27 3.14 0.00 -1.24 -4.73 121.76 119.61 3k6r s ALA 149 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 3k6r s ALA 149 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 3k6r s ALA 149 CO 0.00 -2.02 0.99 0.15 0.00 0.00 0.00 175.76 174.88 3k6r s LYS 150 N -5.07 4.75 -0.02 0.00 -0.14 -0.75 -4.68 119.74 113.83 3k6r s LYS 150 Ca 0.62 1.56 0.02 0.00 -1.36 0.00 0.00 55.97 56.81 3k6r s LYS 150 Cb -0.16 -3.18 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 3k6r s LYS 150 CO 0.55 0.39 -0.08 0.08 -0.76 0.00 0.00 175.35 175.53 3k6r s VAL 151 N -1.24 0.66 -0.21 3.17 1.01 0.09 -0.51 120.40 123.37 3k6r s VAL 151 Ca 0.44 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3k6r s VAL 151 Cb -0.27 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 3k6r s VAL 151 CO 0.33 0.21 -0.08 -0.63 0.00 0.00 0.00 175.10 174.94 3k6r s ILE 152 N 0.18 3.06 -0.18 2.22 1.01 0.85 -0.96 121.20 127.38 3k6r s ILE 152 Ca -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 3k6r s ILE 152 Cb -0.07 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3k6r s ILE 152 CO 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 174.94 175.32 3k6r s ALA 153 N 1.43 2.78 -0.19 9.38 0.00 0.13 -0.40 121.76 134.89 3k6r s ALA 153 Ca 0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3k6r s ALA 153 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3k6r s ALA 153 CO -0.06 -0.11 -0.06 0.42 0.00 0.00 0.00 175.76 175.96 3k6r s ILE 154 N 0.94 3.40 -0.06 0.00 1.01 -0.03 -0.71 121.20 125.75 3k6r s ILE 154 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3k6r s ILE 154 Cb -0.15 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.84 3k6r s ILE 154 CO 0.00 0.45 0.01 -0.70 0.00 0.00 0.00 174.94 174.70 3k6r s GLU 155 N 1.06 0.49 0.12 2.79 2.56 -0.66 -0.71 118.70 124.36 3k6r s GLU 155 Ca 0.01 0.13 -0.09 0.00 0.00 0.00 0.00 54.97 55.02 3k6r s GLU 155 Cb -0.15 -0.85 -0.11 0.00 2.00 0.00 0.00 34.13 35.03 3k6r s GLU 155 CO -0.00 -0.28 1.32 -0.22 -0.56 0.00 0.00 175.26 175.52 3k6r h LYS 156 N 8.16 0.65 -6.10 4.30 3.64 -1.92 -3.37 116.57 121.93 3k6r h LYS 156 Ca -0.22 -0.57 -0.58 0.00 -1.27 0.00 0.00 60.65 58.02 3k6r h LYS 156 Cb 1.13 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3k6r h LYS 156 CO 0.28 1.18 0.84 0.34 -2.27 0.00 0.00 179.45 179.82 3k6r s ASP 157 N -7.10 7.04 0.22 4.20 2.15 -1.26 -4.81 116.67 117.12 3k6r s ASP 157 Ca -0.09 1.49 -0.08 0.00 0.43 0.00 0.00 52.55 54.31 3k6r s ASP 157 Cb 0.09 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.52 3k6r s ASP 157 CO 0.89 -0.70 1.73 -0.65 -0.17 0.00 0.00 175.17 176.26 3k6r h PRO 158 N 7.72 0.37 -0.32 4.34 0.11 -1.98 0.33 132.00 142.58 3k6r h PRO 158 Ca -0.22 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 3k6r h PRO 158 Cb 1.08 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3k6r h PRO 158 CO 0.98 0.24 -0.08 -0.92 -0.21 0.00 0.00 178.00 178.02 3k6r h TYR 159 N 0.38 0.68 -0.60 0.65 3.20 -1.99 -2.62 116.97 116.68 3k6r h TYR 159 Ca 0.35 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3k6r h TYR 159 Cb 0.49 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3k6r h TYR 159 CO -0.19 0.79 0.29 1.15 -1.64 0.00 0.00 178.16 178.55 3k6r h THR 160 N 0.38 1.21 -0.94 1.81 2.02 -1.89 -2.78 112.91 112.72 3k6r h THR 160 Ca 0.08 -0.60 0.16 0.00 0.77 0.00 0.00 66.41 66.83 3k6r h THR 160 Cb 0.57 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.38 3k6r h THR 160 CO 0.03 0.24 0.54 0.15 0.37 0.00 0.00 175.52 176.86 3k6r h PHE 161 N 0.82 0.96 -0.40 3.16 3.57 -0.80 -1.50 116.94 122.74 3k6r h PHE 161 Ca 0.21 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3k6r h PHE 161 Cb 0.12 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3k6r h PHE 161 CO -0.00 0.24 0.20 0.87 -2.23 0.00 0.00 178.31 177.39 3k6r h LYS 162 N 0.74 0.40 -0.40 1.11 1.57 -1.17 -0.03 116.57 118.78 3k6r h LYS 162 Ca 0.52 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 3k6r h LYS 162 Cb 0.75 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3k6r h LYS 162 CO -0.36 0.27 0.21 0.74 -0.57 0.00 0.00 179.45 179.73 3k6r h PHE 163 N 0.42 0.56 -0.48 -1.35 0.04 -1.49 -1.15 116.94 113.48 3k6r h PHE 163 Ca 0.17 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.02 3k6r h PHE 163 Cb 0.07 -0.18 -0.10 0.00 2.20 0.00 0.00 35.95 37.95 3k6r h PHE 163 CO -0.10 0.44 -0.30 1.25 -0.60 0.00 0.00 178.31 179.00 3k6r h LEU 164 N 0.51 -1.02 -0.09 1.54 5.85 -0.84 0.36 115.31 121.61 3k6r h LEU 164 Ca 0.14 0.20 0.03 0.00 0.84 0.00 0.00 57.88 59.09 3k6r h LEU 164 Cb 0.08 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3k6r h LEU 164 CO -0.02 -0.30 -0.08 0.58 -0.34 0.00 0.00 178.44 178.28 3k6r h VAL 165 N -0.19 0.76 -1.01 1.05 2.07 -0.86 -1.68 116.25 116.39 3k6r h VAL 165 Ca 0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.80 3k6r h VAL 165 Cb 0.53 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3k6r h VAL 165 CO -0.59 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.32 3k6r h GLU 166 N -0.10 1.11 -0.10 1.57 5.08 -0.69 -2.59 114.58 118.86 3k6r h GLU 166 Ca 0.06 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3k6r h GLU 166 Cb 0.20 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3k6r h GLU 166 CO -0.15 0.74 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.30 3k6r h ASN 167 N 1.15 0.21 -0.52 1.42 2.35 0.14 0.30 115.58 120.64 3k6r h ASN 167 Ca 0.45 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3k6r h ASN 167 Cb 0.23 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3k6r h ASN 167 CO -0.19 0.58 0.33 0.40 -1.65 0.00 0.00 177.43 176.90 3k6r h ILE 168 N 0.18 1.15 -0.39 2.81 2.04 -0.93 -2.06 117.51 120.31 3k6r h ILE 168 Ca 0.02 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 3k6r h ILE 168 Cb 0.76 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3k6r h ILE 168 CO 0.06 0.15 -0.21 0.45 0.00 0.00 0.00 178.15 178.59 3k6r h HIS 169 N 0.70 0.96 0.00 1.37 3.86 -1.29 -2.16 115.15 118.59 3k6r h HIS 169 Ca 0.19 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3k6r h HIS 169 Cb -0.05 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 3k6r h HIS 169 CO -0.03 1.01 -0.15 -0.07 0.86 0.00 0.00 177.93 179.55 3k6r h LEU 170 N 0.64 0.00 -1.95 2.43 3.38 -0.80 -2.68 115.31 116.32 3k6r h LEU 170 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k6r h LEU 170 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3k6r h LEU 170 CO 0.06 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.33 3k6r n ASN 171 N -4.22 2.99 -2.71 -0.43 3.02 -0.79 -4.92 115.26 108.20 3k6r n ASN 171 Ca -0.02 -1.96 -0.16 0.00 -0.03 0.00 0.00 54.58 52.40 3k6r n ASN 171 Cb 0.22 -0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.39 3k6r n ASN 171 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k6r n LYS 172 N 1.29 -5.58 -0.11 3.52 5.02 -1.01 -4.92 118.16 116.37 3k6r n LYS 172 Ca 0.16 0.59 0.06 0.00 -2.02 0.00 0.00 58.31 57.10 3k6r n LYS 172 Cb 0.58 -4.91 0.08 0.00 -0.02 0.00 0.00 35.03 30.76 3k6r n LYS 172 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3k6r n VAL 173 N -4.16 1.32 0.33 -0.18 0.24 -0.84 -4.71 118.33 110.33 3k6r n VAL 173 Ca -0.02 -1.54 0.19 0.00 -2.04 0.00 0.00 64.34 60.93 3k6r n VAL 173 Cb 0.55 0.10 1.03 0.00 -1.47 0.00 0.00 33.84 34.05 3k6r n VAL 173 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3k6r h GLU 174 N 0.00 0.00 0.00 7.34 9.09 -1.91 -0.65 114.58 128.45 3k6r h GLU 174 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 3k6r h GLU 174 Cb 0.94 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.03 3k6r h GLU 174 CO 0.00 0.00 -0.24 0.38 0.05 0.00 0.00 179.01 179.20 3k6r h ASP 175 N 0.00 0.00 -1.05 3.06 2.03 -1.94 -3.46 116.42 115.07 3k6r h ASP 175 Ca 0.01 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.78 3k6r h ASP 175 Cb 0.31 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 38.38 3k6r h ASP 175 CO -0.00 0.24 -0.84 -2.11 -1.03 0.00 0.00 179.24 175.50 3k6r n ARG 176 N -3.24 3.21 -3.65 4.15 1.85 -0.25 -5.09 116.66 113.65 3k6r n ARG 176 Ca 0.02 -4.19 -0.03 0.00 -1.00 0.00 0.00 57.85 52.65 3k6r n ARG 176 Cb 0.54 -2.14 -0.07 0.00 -1.05 0.00 0.00 32.46 29.74 3k6r n ARG 176 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3k6r s SER 178 N -3.56 -0.09 -0.02 2.89 0.01 -0.13 -0.74 113.70 112.07 3k6r s SER 178 Ca 0.46 0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.96 3k6r s SER 178 Cb 0.40 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 3k6r s SER 178 CO -0.06 -0.03 -0.25 0.00 0.41 0.00 0.00 173.24 173.32 3k6r s ALA 179 N 0.03 2.06 -0.03 1.44 0.00 -1.26 0.17 121.76 124.18 3k6r s ALA 179 Ca 0.07 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3k6r s ALA 179 Cb -0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 3k6r s ALA 179 CO -0.15 0.50 -0.13 0.71 0.00 0.00 0.00 175.76 176.70 3k6r s TYR 180 N -0.59 1.27 -0.49 0.00 2.02 0.12 -4.95 117.35 114.72 3k6r s TYR 180 Ca 0.10 -0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 56.30 3k6r s TYR 180 Cb -0.10 -0.86 0.06 0.00 -0.40 0.00 0.00 41.96 40.66 3k6r s TYR 180 CO -0.01 -0.10 0.54 1.21 -1.57 0.00 0.00 175.55 175.62 3k6r s ASN 181 N -0.00 6.20 0.21 2.29 2.47 -1.26 -1.65 114.94 123.19 3k6r s ASN 181 Ca -0.01 -1.02 -0.30 0.00 0.42 0.00 0.00 52.86 51.95 3k6r s ASN 181 Cb -0.09 -2.25 -0.08 0.00 -1.45 0.00 0.00 41.25 37.38 3k6r s ASN 181 CO 0.01 -0.79 1.23 -0.62 -3.72 0.00 0.00 177.10 173.21 3k6r s ASP 183 N 2.58 7.03 0.59 -4.21 2.15 -1.26 -4.95 116.67 118.60 3k6r s ASP 183 Ca 0.11 2.31 0.39 0.00 0.43 0.00 0.00 52.55 55.80 3k6r s ASP 183 Cb -0.21 -2.61 2.00 0.00 -0.30 0.00 0.00 42.92 41.80 3k6r s ASP 183 CO 0.10 -0.41 2.19 -0.55 -0.17 0.00 0.00 175.17 176.33 3k6r h ASN 184 N 5.04 0.00 1.49 -0.34 7.08 -1.97 -1.56 115.58 125.32 3k6r h ASN 184 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 3k6r h ASN 184 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 3k6r h ASN 184 CO 0.74 0.00 0.00 0.03 -2.08 0.00 0.00 177.43 176.12 3k6r h ARG 185 N 0.00 0.00 -0.00 4.14 3.08 -2.00 -2.98 114.38 116.62 3k6r h ARG 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k6r h ARG 185 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3k6r h ARG 185 CO 0.00 0.00 -0.51 -0.25 -1.07 0.00 0.00 179.97 178.14 3k6r n ASP 186 N -2.95 0.68 -4.67 7.04 8.00 -0.59 -4.86 116.55 119.21 3k6r n ASP 186 Ca 0.03 -0.48 -0.43 0.00 0.71 0.00 0.00 54.79 54.62 3k6r n ASP 186 Cb 0.41 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 3k6r n ASP 186 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3k6r n PHE 187 N -1.32 2.52 1.44 1.24 7.35 -1.13 -4.88 117.46 122.68 3k6r n PHE 187 Ca 0.07 -0.24 0.14 0.00 -0.76 0.00 0.00 57.45 56.65 3k6r n PHE 187 Cb 0.34 -2.76 0.49 0.00 0.35 0.00 0.00 39.48 37.90 3k6r n PHE 187 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3k6r n PRO 188 N 6.74 1.55 -1.84 -7.13 -0.04 -1.26 -4.91 135.00 128.12 3k6r n PRO 188 Ca 0.20 -0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 3k6r n PRO 188 Cb 0.38 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 3k6r n PRO 188 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3k6r s GLY 189 N -2.08 1.80 -0.05 0.55 0.00 -1.26 -5.01 107.32 101.27 3k6r s GLY 189 Ca 0.35 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.58 3k6r s GLY 189 CO 0.36 2.61 -0.04 1.85 0.00 0.00 0.00 173.10 177.88 3k6r s GLU 190 N 0.28 0.86 -1.08 2.90 2.12 -1.26 -4.21 118.70 118.31 3k6r s GLU 190 Ca 0.67 -0.09 -0.06 0.00 0.36 0.00 0.00 54.97 55.85 3k6r s GLU 190 Cb -0.46 -0.91 0.01 0.00 0.26 0.00 0.00 34.13 33.02 3k6r s GLU 190 CO 0.40 -0.12 0.94 -1.71 -0.54 0.00 0.00 175.26 174.22 3k6r n ASN 191 N 4.24 -4.85 0.00 -1.70 5.15 0.80 -4.91 115.26 114.00 3k6r n ASN 191 Ca -0.21 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.31 3k6r n ASN 191 Cb 0.51 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 3k6r n ASN 191 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3k6r n ILE 192 N -4.34 0.00 -3.21 -1.44 -5.35 0.37 -4.57 119.36 100.82 3k6r n ILE 192 Ca -0.04 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.05 3k6r n ILE 192 Cb 0.57 0.27 -0.05 0.00 -1.74 0.00 0.00 39.64 38.69 3k6r n ILE 192 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k6r s ALA 193 N -1.34 3.43 -0.17 -1.28 0.00 -0.56 -4.75 121.76 117.09 3k6r s ALA 193 Ca 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 51.96 52.09 3k6r s ALA 193 Cb 0.00 -2.76 0.21 0.00 0.00 0.00 0.00 23.12 20.57 3k6r s ALA 193 CO 0.00 -0.01 1.52 -0.44 0.00 0.00 0.00 175.76 176.83 3k6r h ASP 194 N 6.57 0.00 -3.60 0.00 3.32 -1.42 0.11 116.42 121.41 3k6r h ASP 194 Ca -0.42 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.49 3k6r h ASP 194 Cb 1.19 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.48 3k6r h ASP 194 CO 0.75 0.38 -0.34 -0.60 -1.72 0.00 0.00 179.24 177.71 3k6r s ARG 195 N -3.09 0.37 -0.03 3.56 3.52 -1.13 -1.76 118.95 120.39 3k6r s ARG 195 Ca 0.04 0.57 0.06 0.00 -0.13 0.00 0.00 55.73 56.27 3k6r s ARG 195 Cb 0.07 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 3k6r s ARG 195 CO 0.72 -0.10 -0.21 0.42 -0.81 0.00 0.00 175.30 175.32 3k6r s ILE 196 N 0.70 1.66 0.54 4.11 1.01 0.79 -1.06 121.20 128.94 3k6r s ILE 196 Ca -0.04 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.78 3k6r s ILE 196 Cb -0.05 -1.40 0.06 0.00 0.01 0.00 0.00 42.46 41.08 3k6r s ILE 196 CO -0.05 0.47 0.46 0.18 0.00 0.00 0.00 174.94 176.01 3k6r n LEU 197 N 2.76 0.00 0.00 2.97 4.77 0.06 -0.51 117.00 127.05 3k6r n LEU 197 Ca -0.16 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 3k6r n LEU 197 Cb 0.53 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3k6r n LEU 197 CO 0.24 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 3k6r n GLY 199 N -1.48 0.00 3.46 -0.72 0.00 -1.26 -4.20 105.19 100.98 3k6r n GLY 199 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3k6r n GLY 199 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k6r s TYR 200 N 0.00 2.50 -0.58 1.61 5.04 -1.26 -4.95 117.35 119.71 3k6r s TYR 200 Ca 0.00 -0.28 0.05 0.00 -2.44 0.00 0.00 57.07 54.40 3k6r s TYR 200 Cb 0.00 -1.38 0.09 0.00 0.35 0.00 0.00 41.96 41.02 3k6r s TYR 200 CO 0.00 0.32 0.87 1.33 -1.34 0.00 0.00 175.55 176.73 3k6r n VAL 201 N 1.12 0.43 -3.60 3.14 0.24 -1.26 -4.11 118.33 114.29 3k6r n VAL 201 Ca -0.16 -0.72 -0.40 0.00 -2.04 0.00 0.00 64.34 61.02 3k6r n VAL 201 Cb 0.52 0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 33.65 3k6r n VAL 201 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3k6r s VAL 202 N -0.69 4.12 -1.36 3.34 1.01 -1.26 -3.54 120.40 122.01 3k6r s VAL 202 Ca 0.08 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3k6r s VAL 202 Cb 0.05 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3k6r s VAL 202 CO 0.07 -0.63 0.41 0.54 0.00 0.00 0.00 175.10 175.49 3k6r n ARG 203 N 4.88 -1.53 0.28 2.72 1.74 -1.26 -4.81 116.66 118.67 3k6r n ARG 203 Ca -0.08 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 3k6r n ARG 203 Cb 0.42 -3.70 0.79 0.00 -1.02 0.00 0.00 32.46 28.95 3k6r n ARG 203 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3k6r h THR 204 N -2.03 0.63 -0.92 0.55 2.02 -1.84 -2.33 112.91 108.99 3k6r h THR 204 Ca -0.67 -0.25 0.27 0.00 0.77 0.00 0.00 66.41 66.53 3k6r h THR 204 Cb 1.39 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 3k6r h THR 204 CO 0.60 0.06 0.69 1.12 0.37 0.00 0.00 175.52 178.36 3k6r h HIS 205 N 0.00 0.00 0.00 3.16 2.07 -1.89 -1.39 115.15 117.10 3k6r h HIS 205 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k6r h HIS 205 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 3k6r h HIS 205 CO 0.00 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 175.79 3k6r h GLU 206 N 0.00 0.00 -0.02 5.12 5.08 -1.77 -2.19 114.58 120.79 3k6r h GLU 206 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3k6r h GLU 206 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 3k6r h GLU 206 CO -0.00 0.00 -0.08 1.19 -1.00 0.00 0.00 179.01 179.11 3k6r n PHE 207 N -2.61 0.00 -0.14 4.33 3.72 -0.52 -4.56 117.46 117.67 3k6r n PHE 207 Ca -0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 3k6r n PHE 207 Cb 0.15 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 3k6r n PHE 207 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3k6r h ILE 208 N 3.33 0.72 -0.89 4.37 2.04 -1.48 -2.06 117.51 123.54 3k6r h ILE 208 Ca 0.00 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3k6r h ILE 208 Cb 0.75 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3k6r h ILE 208 CO 0.00 0.03 0.54 -0.65 0.00 0.00 0.00 178.15 178.08 3k6r h PRO 209 N 0.19 0.90 -0.48 2.37 0.11 -1.80 -0.78 132.00 132.50 3k6r h PRO 209 Ca 0.23 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 3k6r h PRO 209 Cb 0.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 3k6r h PRO 209 CO -0.32 0.60 0.10 -0.22 -0.21 0.00 0.00 178.00 177.94 3k6r h LYS 210 N 0.93 0.78 -0.42 1.05 1.63 -1.81 -2.70 116.57 116.03 3k6r h LYS 210 Ca 0.41 -0.20 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 3k6r h LYS 210 Cb 0.31 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 3k6r h LYS 210 CO -0.22 0.78 0.09 0.00 -3.45 0.00 0.00 179.45 176.65 3k6r h ALA 211 N 0.98 0.47 -0.63 5.00 0.00 -0.64 -1.55 119.26 122.89 3k6r h ALA 211 Ca 0.15 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3k6r h ALA 211 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3k6r h ALA 211 CO 0.00 -0.31 0.42 -0.07 0.00 0.00 0.00 179.25 179.29 3k6r h LEU 212 N 0.23 0.71 -0.25 0.00 3.38 -1.09 -0.61 115.31 117.69 3k6r h LEU 212 Ca 0.20 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3k6r h LEU 212 Cb 0.24 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3k6r h LEU 212 CO -0.26 0.51 -0.28 -1.28 0.09 0.00 0.00 178.44 177.22 3k6r h SER 213 N 0.84 0.67 -0.52 -0.43 0.87 -1.09 -3.20 113.55 110.70 3k6r h SER 213 Ca 0.23 -0.49 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 3k6r h SER 213 Cb -0.08 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3k6r h SER 213 CO -0.05 1.03 0.08 0.40 -0.53 0.00 0.00 176.83 177.76 3k6r h ILE 214 N 0.33 1.24 -4.00 2.23 2.04 -1.00 0.23 117.51 118.59 3k6r h ILE 214 Ca 0.03 -0.95 -0.53 0.00 1.00 0.00 0.00 64.86 64.41 3k6r h ILE 214 Cb 0.85 0.72 0.10 0.00 -0.74 0.00 0.00 36.82 37.76 3k6r h ILE 214 CO 0.07 0.35 0.58 0.00 0.00 0.00 0.00 178.15 179.15 3k6r s ALA 215 N -5.14 3.02 0.61 1.87 0.00 -0.26 -0.48 121.76 121.38 3k6r s ALA 215 Ca -0.10 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 3k6r s ALA 215 Cb 0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3k6r s ALA 215 CO 0.82 -1.02 1.03 0.15 0.00 0.00 0.00 175.76 176.74 3k6r s LYS 216 N -2.63 3.56 0.09 0.00 1.02 0.03 -3.89 119.74 117.91 3k6r s LYS 216 Ca 0.65 0.83 -0.35 0.00 0.02 0.00 0.00 55.97 57.12 3k6r s LYS 216 Cb -0.37 -2.08 -0.14 0.00 -0.52 0.00 0.00 37.83 34.72 3k6r s LYS 216 CO 0.45 -0.60 1.58 -3.47 -0.92 0.00 0.00 175.35 172.39 3k6r n ASP 217 N -2.58 2.81 0.00 2.83 2.03 -1.26 -2.03 116.55 118.35 3k6r n ASP 217 Ca 0.06 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.45 3k6r n ASP 217 Cb 0.54 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 3k6r n ASP 217 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k6r n GLY 218 N 3.40 0.75 3.79 0.27 0.00 0.52 -5.02 105.19 108.90 3k6r n GLY 218 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3k6r n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6r s ALA 219 N -2.52 2.74 -0.15 4.61 0.00 -0.86 -4.68 121.76 120.89 3k6r s ALA 219 Ca 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 3k6r s ALA 219 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 3k6r s ALA 219 CO 0.00 -0.68 0.16 0.42 0.00 0.00 0.00 175.76 175.66 3k6r s ILE 220 N -2.06 5.43 -0.08 0.00 1.01 -0.72 -1.62 121.20 123.15 3k6r s ILE 220 Ca 0.68 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.63 3k6r s ILE 220 Cb -0.19 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 3k6r s ILE 220 CO 0.28 0.52 -0.23 -0.63 0.00 0.00 0.00 174.94 174.89 3k6r s ILE 221 N -0.28 1.92 -0.49 2.92 1.01 0.50 -0.15 121.20 126.64 3k6r s ILE 221 Ca 0.12 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 3k6r s ILE 221 Cb -0.12 -1.66 0.12 0.00 0.01 0.00 0.00 42.46 40.81 3k6r s ILE 221 CO 0.02 0.53 0.38 -1.00 0.00 0.00 0.00 174.94 174.87 3k6r s HIS 222 N 0.24 3.36 -0.40 3.97 3.76 0.33 -0.82 115.29 125.73 3k6r s HIS 222 Ca -0.14 -1.63 -0.14 0.00 -0.15 0.00 0.00 55.06 53.00 3k6r s HIS 222 Cb -0.16 -3.51 0.02 0.00 1.11 0.00 0.00 32.58 30.03 3k6r s HIS 222 CO 0.07 -0.98 0.28 -0.47 -0.85 0.00 0.00 174.74 172.79 3k6r s TYR 223 N 1.45 3.24 0.27 1.40 5.04 0.12 -4.38 117.35 124.49 3k6r s TYR 223 Ca 0.05 -0.66 -0.08 0.00 -2.44 0.00 0.00 57.07 53.93 3k6r s TYR 223 Cb -0.27 -2.55 -0.07 0.00 0.35 0.00 0.00 41.96 39.42 3k6r s TYR 223 CO 0.01 -0.60 0.58 -1.01 -1.34 0.00 0.00 175.55 173.20 3k6r s HIS 224 N 1.65 3.44 0.16 4.97 3.76 -1.26 -1.11 115.29 126.91 3k6r s HIS 224 Ca 0.04 0.83 -0.25 0.00 -0.15 0.00 0.00 55.06 55.54 3k6r s HIS 224 Cb -0.19 -2.24 0.06 0.00 1.11 0.00 0.00 32.58 31.32 3k6r s HIS 224 CO 0.09 0.19 0.91 1.21 -0.85 0.00 0.00 174.74 176.29 3k6r s ASN 225 N -2.70 -0.21 -0.19 1.40 3.84 -0.78 -4.66 114.94 111.62 3k6r s ASN 225 Ca 0.47 -0.39 -0.06 0.00 0.21 0.00 0.00 52.86 53.09 3k6r s ASN 225 Cb -0.11 0.52 -0.03 0.00 -0.55 0.00 0.00 41.25 41.08 3k6r s ASN 225 CO 0.25 -0.95 0.03 -0.89 -2.79 0.00 0.00 177.10 172.76 3k6r s THR 226 N -3.38 4.37 -0.04 -5.21 2.01 -1.23 -1.28 115.64 110.88 3k6r s THR 226 Ca 0.11 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.96 3k6r s THR 226 Cb -0.02 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3k6r s THR 226 CO 0.02 0.43 -0.08 0.54 -0.69 0.00 0.00 174.62 174.83 3k6r s VAL 227 N 0.75 0.79 0.26 3.82 0.11 0.43 -4.91 120.40 121.64 3k6r s VAL 227 Ca 0.02 -0.32 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 3k6r s VAL 227 Cb -0.14 -0.73 -0.11 0.00 -1.53 0.00 0.00 36.38 33.88 3k6r s VAL 227 CO 0.02 0.26 1.52 -2.84 -3.33 0.00 0.00 175.10 170.73 3k6r s PRO 228 N 0.46 4.20 0.25 1.54 0.02 -1.26 0.03 135.00 140.24 3k6r s PRO 228 Ca -0.08 2.42 -0.10 0.00 0.02 0.00 0.00 61.00 63.27 3k6r s PRO 228 Cb -0.11 -3.08 0.37 0.00 0.02 0.00 0.00 34.50 31.70 3k6r s PRO 228 CO 0.01 -0.53 1.58 0.93 -0.33 0.00 0.00 177.00 178.67 3k6r h GLU 229 N 5.15 -0.00 -0.29 5.54 5.08 -1.20 -2.10 114.58 126.77 3k6r h GLU 229 Ca -0.46 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.98 3k6r h GLU 229 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3k6r h GLU 229 CO 0.80 -0.00 0.26 0.87 -1.00 0.00 0.00 179.01 179.94 3k6r h LYS 230 N -0.00 0.00 -2.29 2.33 1.57 -1.91 -3.44 116.57 112.82 3k6r h LYS 230 Ca 0.41 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.65 3k6r h LYS 230 Cb 0.63 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.82 3k6r h LYS 230 CO -0.89 0.00 1.26 1.28 -0.57 0.00 0.00 179.45 180.53 3k6r n LEU 231 N -4.03 7.02 0.00 2.94 4.77 -0.79 -5.01 117.00 121.89 3k6r n LEU 231 Ca 0.04 -4.23 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 3k6r n LEU 231 Cb 0.42 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3k6r n LEU 231 CO 0.31 1.87 0.08 -0.81 -1.33 0.00 0.00 177.39 177.51 3k6r n PRO 233 N 1.65 0.00 0.02 3.23 -0.04 -1.26 -1.59 135.00 137.02 3k6r n PRO 233 Ca 0.55 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.89 3k6r n PRO 233 Cb 0.48 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 3k6r n PRO 233 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3k6r h ARG 234 N 0.00 -0.00 -6.32 0.54 2.43 -1.96 -3.42 114.38 105.64 3k6r h ARG 234 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 3k6r h ARG 234 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3k6r h ARG 234 CO 0.00 0.14 -0.24 -1.21 -1.51 0.00 0.00 179.97 177.16 3k6r s GLU 235 N -5.61 3.62 0.00 0.20 0.41 -0.62 -1.27 118.70 115.43 3k6r s GLU 235 Ca -0.14 -0.08 0.20 0.00 -0.41 0.00 0.00 54.97 54.55 3k6r s GLU 235 Cb 0.05 -2.75 0.56 0.00 -1.78 0.00 0.00 34.13 30.20 3k6r s GLU 235 CO 0.66 0.35 1.45 -0.35 -0.49 0.00 0.00 175.26 176.88 3k6r n PRO 236 N -0.47 2.09 -0.31 0.39 -0.04 -1.26 -4.90 135.00 130.50 3k6r n PRO 236 Ca -0.02 -1.66 -0.02 0.00 -0.04 0.00 0.00 63.50 61.75 3k6r n PRO 236 Cb 0.53 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.66 3k6r n PRO 236 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3k6r h PHE 237 N 3.12 1.03 -0.61 0.54 3.57 -1.83 -2.50 116.94 120.26 3k6r h PHE 237 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3k6r h PHE 237 Cb 0.69 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3k6r h PHE 237 CO 0.21 0.60 0.36 1.49 -2.23 0.00 0.00 178.31 178.74 3k6r h GLU 238 N 1.07 0.67 -0.41 1.11 4.81 -1.52 -0.17 114.58 120.14 3k6r h GLU 238 Ca 0.33 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3k6r h GLU 238 Cb -0.02 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3k6r h GLU 238 CO -0.11 0.45 0.07 1.15 -0.73 0.00 0.00 179.01 179.84 3k6r h THR 239 N 0.69 1.24 -0.51 0.32 2.02 -1.82 -2.09 112.91 112.77 3k6r h THR 239 Ca 0.26 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.62 3k6r h THR 239 Cb 0.08 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3k6r h THR 239 CO -0.13 0.30 0.28 0.15 0.37 0.00 0.00 175.52 176.48 3k6r h PHE 240 N 0.53 0.51 -0.22 3.16 3.57 -0.95 -1.46 116.94 122.09 3k6r h PHE 240 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3k6r h PHE 240 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3k6r h PHE 240 CO 0.02 0.27 0.10 -0.22 -2.23 0.00 0.00 178.31 176.25 3k6r h LYS 241 N 0.55 0.33 -0.77 1.11 3.64 -1.03 -1.49 116.57 118.91 3k6r h LYS 241 Ca 0.22 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3k6r h LYS 241 Cb 0.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3k6r h LYS 241 CO -0.13 0.36 0.27 -0.09 -2.27 0.00 0.00 179.45 177.59 3k6r h ARG 242 N 0.22 1.17 -0.31 1.90 2.43 -1.07 -0.70 114.38 118.02 3k6r h ARG 242 Ca 0.08 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 3k6r h ARG 242 Cb 0.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3k6r h ARG 242 CO -0.01 0.97 -0.12 0.82 -1.51 0.00 0.00 179.97 180.13 3k6r h ILE 243 N 1.13 1.29 -0.24 1.20 2.04 -1.19 -2.10 117.51 119.64 3k6r h ILE 243 Ca 0.25 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.95 3k6r h ILE 243 Cb 0.26 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3k6r h ILE 243 CO -0.01 0.39 0.03 0.74 0.00 0.00 0.00 178.15 179.29 3k6r h THR 244 N 0.39 0.86 -0.53 -0.27 2.02 -0.99 -2.27 112.91 112.12 3k6r h THR 244 Ca 0.07 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 3k6r h THR 244 Cb 0.63 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3k6r h THR 244 CO 0.04 0.02 0.12 0.11 0.37 0.00 0.00 175.52 176.18 3k6r h LYS 245 N 0.11 0.82 -0.62 6.66 1.57 -1.03 -0.65 116.57 123.44 3k6r h LYS 245 Ca 0.11 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3k6r h LYS 245 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3k6r h LYS 245 CO -0.16 0.75 0.41 0.93 -0.57 0.00 0.00 179.45 180.81 3k6r h GLU 246 N 0.79 0.74 -0.25 3.15 5.08 -0.83 -1.07 114.58 122.19 3k6r h GLU 246 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3k6r h GLU 246 Cb 0.31 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3k6r h GLU 246 CO 0.00 0.49 0.00 0.66 -1.00 0.00 0.00 179.01 179.16 3k6r n TYR 247 N -4.46 0.33 -1.77 4.33 4.01 -0.93 -4.91 117.16 113.76 3k6r n TYR 247 Ca 0.07 -0.17 -0.01 0.00 -0.16 0.00 0.00 57.90 57.64 3k6r n TYR 247 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3k6r n TYR 247 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k6r n GLY 248 N 1.02 0.36 3.60 2.72 0.00 -0.41 -5.04 105.19 107.44 3k6r n GLY 248 Ca 0.12 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 3k6r n GLY 248 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k6r s TYR 249 N -2.03 2.58 0.30 1.61 1.51 -0.29 -2.71 117.35 118.32 3k6r s TYR 249 Ca 0.00 -0.27 0.09 0.00 -1.01 0.00 0.00 57.07 55.88 3k6r s TYR 249 Cb 0.00 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 3k6r s TYR 249 CO 0.00 0.63 0.04 0.34 -1.11 0.00 0.00 175.55 175.45 3k6r s ASP 250 N -3.64 4.52 -0.07 2.29 -1.08 0.14 -2.99 116.67 115.84 3k6r s ASP 250 Ca 0.31 -0.74 -0.05 0.00 -0.52 0.00 0.00 52.55 51.56 3k6r s ASP 250 Cb -0.06 -0.76 0.02 0.00 -1.46 0.00 0.00 42.92 40.67 3k6r s ASP 250 CO 0.19 -0.12 0.16 0.54 0.52 0.00 0.00 175.17 176.46 3k6r s VAL 251 N -2.38 -0.02 -0.12 1.11 0.11 -1.26 -0.57 120.40 117.27 3k6r s VAL 251 Ca 0.34 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.46 3k6r s VAL 251 Cb -0.04 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3k6r s VAL 251 CO 0.20 0.02 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.14 3k6r s GLU 252 N 0.47 3.25 -0.23 1.54 2.12 0.94 -4.96 118.70 121.83 3k6r s GLU 252 Ca -0.03 -0.73 -0.18 0.00 0.36 0.00 0.00 54.97 54.38 3k6r s GLU 252 Cb -0.05 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 3k6r s GLU 252 CO -0.02 0.23 0.53 0.21 -0.54 0.00 0.00 175.26 175.67 3k6r s LYS 253 N 0.28 4.14 -0.15 4.30 2.20 -1.26 0.60 119.74 129.84 3k6r s LYS 253 Ca -0.11 0.40 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 3k6r s LYS 253 Cb -0.16 -3.60 -0.23 0.00 -1.51 0.00 0.00 37.83 32.33 3k6r s LYS 253 CO 0.06 -0.25 0.22 1.28 -0.36 0.00 0.00 175.35 176.30 3k6r n LEU 254 N 5.17 1.65 -3.50 5.43 4.77 0.75 -4.98 117.00 126.28 3k6r n LEU 254 Ca -0.04 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 3k6r n LEU 254 Cb 0.50 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3k6r n LEU 254 CO 0.41 0.67 0.38 0.21 -1.33 0.00 0.00 177.39 177.74 3k6r s ASN 255 N -6.30 -0.57 -0.06 -1.43 2.47 -1.11 -4.98 114.94 102.96 3k6r s ASN 255 Ca -0.18 0.33 -0.03 0.00 0.42 0.00 0.00 52.86 53.40 3k6r s ASN 255 Cb 0.07 0.54 0.03 0.00 -1.45 0.00 0.00 41.25 40.45 3k6r s ASN 255 CO 0.76 -0.76 0.13 -0.70 -3.72 0.00 0.00 177.10 172.81 3k6r s GLU 256 N -2.38 0.10 0.02 0.43 2.12 -1.26 -1.24 118.70 116.49 3k6r s GLU 256 Ca -0.06 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.62 3k6r s GLU 256 Cb -0.01 -0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 3k6r s GLU 256 CO -0.01 -0.12 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.95 3k6r s LEU 257 N 0.84 2.11 0.05 2.70 1.43 -0.03 -5.01 118.68 120.78 3k6r s LEU 257 Ca -0.06 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 3k6r s LEU 257 Cb -0.08 -0.61 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 3k6r s LEU 257 CO -0.04 0.08 0.71 -0.54 0.23 0.00 0.00 176.35 176.78 3k6r s LYS 258 N -0.78 4.43 -0.24 1.70 1.02 -1.26 -0.69 119.74 123.91 3k6r s LYS 258 Ca 0.03 0.97 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 3k6r s LYS 258 Cb -0.07 -3.33 -0.11 0.00 -0.52 0.00 0.00 37.83 33.81 3k6r s LYS 258 CO 0.00 0.38 -0.31 -0.89 -0.92 0.00 0.00 175.35 173.62 3k6r n ILE 259 N 2.50 1.33 -3.56 2.17 5.41 0.11 -4.92 119.36 122.39 3k6r n ILE 259 Ca -0.05 -0.35 -0.16 0.00 1.00 0.00 0.00 62.75 63.19 3k6r n ILE 259 Cb 0.50 -1.79 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 3k6r n ILE 259 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3k6r s LYS 260 N -2.45 0.97 -0.12 0.38 2.20 -1.03 -5.00 119.74 114.70 3k6r s LYS 260 Ca -0.34 0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 55.72 3k6r s LYS 260 Cb 0.13 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 3k6r s LYS 260 CO 0.43 -0.25 0.10 0.50 -0.36 0.00 0.00 175.35 175.78 3k6r s ARG 261 N -0.65 3.38 0.03 4.03 3.52 -1.26 -0.34 118.95 127.65 3k6r s ARG 261 Ca -0.07 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 3k6r s ARG 261 Cb -0.02 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 3k6r s ARG 261 CO 0.07 0.72 -0.18 0.71 -0.81 0.00 0.00 175.30 175.81 3k6r s TYR 262 N -0.88 1.57 0.27 5.12 2.02 0.48 -4.97 117.35 120.95 3k6r s TYR 262 Ca 0.14 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 3k6r s TYR 262 Cb -0.12 -0.95 -0.14 0.00 -0.40 0.00 0.00 41.96 40.35 3k6r s TYR 262 CO 0.03 0.05 1.04 0.00 -1.57 0.00 0.00 175.55 175.10 3k6r n ALA 263 N 2.06 -0.28 -0.03 3.71 0.00 -1.26 -1.16 120.51 123.55 3k6r n ALA 263 Ca -0.17 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 3k6r n ALA 263 Cb 0.54 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 3k6r n ALA 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k6r h PRO 264 N 2.27 0.41 0.00 0.00 0.11 -2.04 -3.43 132.00 129.32 3k6r h PRO 264 Ca -0.40 -0.35 -0.18 0.00 0.11 0.00 0.00 66.00 65.19 3k6r h PRO 264 Cb 1.34 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.39 3k6r h PRO 264 CO 0.62 0.99 -0.23 0.41 -0.21 0.00 0.00 178.00 179.58 3k6r n GLY 265 N 0.76 -0.37 3.25 -0.55 0.00 -0.73 -5.13 105.19 102.42 3k6r n GLY 265 Ca -0.08 0.40 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 3k6r n GLY 265 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k6r s VAL 266 N 0.22 1.68 -0.08 1.61 -7.23 -0.31 -0.58 120.40 115.70 3k6r s VAL 266 Ca 0.23 -1.14 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 3k6r s VAL 266 Cb 0.28 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 3k6r s VAL 266 CO -0.13 0.27 -0.17 0.26 -0.31 0.00 0.00 175.10 175.02 3k6r s TRP 267 N -0.73 2.66 -0.31 2.82 0.52 0.10 -0.39 118.94 123.62 3k6r s TRP 267 Ca 0.08 -0.55 -0.25 0.00 0.02 0.00 0.00 56.10 55.39 3k6r s TRP 267 Cb -0.09 -1.71 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3k6r s TRP 267 CO 0.01 -0.11 0.89 -1.58 0.02 0.00 0.00 176.95 176.18 3k6r s HIS 268 N -0.10 3.19 0.18 -1.98 5.65 0.53 -0.43 115.29 122.34 3k6r s HIS 268 Ca -0.03 0.96 0.09 0.00 0.25 0.00 0.00 55.06 56.34 3k6r s HIS 268 Cb -0.14 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 27.84 3k6r s HIS 268 CO 0.04 -0.63 -0.19 0.14 -0.65 0.00 0.00 174.74 173.45 3k6r s VAL 269 N 3.19 1.98 -0.03 0.89 -7.23 -0.40 0.04 120.40 118.83 3k6r s VAL 269 Ca 0.37 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 3k6r s VAL 269 Cb -0.14 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 3k6r s VAL 269 CO 0.13 -0.31 -0.23 0.54 -0.31 0.00 0.00 175.10 174.92 3k6r s VAL 270 N -2.09 1.83 -0.07 1.32 0.11 0.13 -1.87 120.40 119.75 3k6r s VAL 270 Ca 0.19 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.31 3k6r s VAL 270 Cb -0.06 -1.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 3k6r s VAL 270 CO 0.08 0.52 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.36 3k6r s LEU 271 N -0.39 2.09 -0.33 2.54 1.02 -0.27 -0.85 118.68 122.51 3k6r s LEU 271 Ca 0.04 -0.52 -0.15 0.00 0.02 0.00 0.00 54.13 53.52 3k6r s LEU 271 Cb -0.10 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.70 3k6r s LEU 271 CO 0.01 0.22 0.35 -1.81 0.02 0.00 0.00 176.35 175.13 3k6r s ASP 272 N 0.01 6.17 0.03 2.29 1.01 -0.37 -0.70 116.67 125.11 3k6r s ASP 272 Ca -0.09 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.06 3k6r s ASP 272 Cb -0.15 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 3k6r s ASP 272 CO 0.05 -0.30 -0.19 -0.76 0.21 0.00 0.00 175.17 174.19 3k6r s LEU 273 N 1.99 2.13 -0.14 1.23 1.43 -0.00 -0.18 118.68 125.15 3k6r s LEU 273 Ca 0.11 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3k6r s LEU 273 Cb -0.16 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 3k6r s LEU 273 CO 0.11 0.15 -0.14 -0.60 0.23 0.00 0.00 176.35 176.11 3k6r s ARG 274 N -0.98 3.34 0.07 1.70 3.52 0.20 -0.37 118.95 126.43 3k6r s ARG 274 Ca 0.06 -0.70 0.05 0.00 -0.13 0.00 0.00 55.73 55.01 3k6r s ARG 274 Cb -0.08 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 3k6r s ARG 274 CO 0.01 0.16 -0.06 0.14 -0.81 0.00 0.00 175.30 174.74 3k6r s VAL 275 N 0.48 3.64 0.00 7.11 -7.23 -0.64 -0.04 120.40 123.72 3k6r s VAL 275 Ca -0.10 -1.03 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3k6r s VAL 275 Cb -0.16 -2.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 3k6r s VAL 275 CO 0.04 0.20 0.00 -0.36 -0.31 0.00 0.00 175.10 174.68 3k6r s PHE 276 N -1.18 0.04 0.45 2.82 0.40 0.27 -0.36 117.98 120.43 3k6r s PHE 276 Ca 0.21 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.38 3k6r s PHE 276 Cb -0.11 -0.03 0.11 0.00 0.51 0.00 0.00 43.02 43.50 3k6r s PHE 276 CO 0.13 -0.04 0.38 0.36 0.70 0.00 0.00 175.22 176.75 3k6r n LYS 277 N 2.80 -1.98 -0.53 0.44 2.85 -1.26 0.24 118.16 120.70 3k6r n LYS 277 Ca -0.14 -0.61 0.00 0.00 -1.05 0.00 0.00 58.31 56.51 3k6r n LYS 277 Cb 0.59 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 3k6r n LYS 277 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78