#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6q s MET 1 N 0.00 0.42 -0.82 1.43 1.00 -1.26 -5.08 119.30 115.00 2k6q s MET 1 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 55.69 54.47 2k6q s MET 1 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 34.83 33.50 2k6q s MET 1 CO 0.00 -1.10 1.63 -1.25 0.00 0.00 0.00 175.02 174.30 2k6q s PRO 2 N 1.57 3.00 -0.77 2.03 0.04 -1.26 -4.90 135.00 134.71 2k6q s PRO 2 Ca 0.13 -0.26 -0.25 0.00 0.04 0.00 0.00 61.00 60.66 2k6q s PRO 2 Cb -0.19 -4.74 -0.17 0.00 0.04 0.00 0.00 34.50 29.44 2k6q s PRO 2 CO -0.19 -2.60 2.47 0.43 0.04 0.00 0.00 177.00 177.15 2k6q n SER 3 N 11.20 1.08 -4.68 6.66 7.64 -1.26 -4.81 113.62 129.45 2k6q n SER 3 Ca 0.24 -0.46 -0.46 0.00 1.01 0.00 0.00 58.87 59.20 2k6q n SER 3 Cb 0.50 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 2k6q n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k6q n GLU 4 N 8.35 2.29 -1.20 1.43 2.13 -1.26 -4.94 120.64 127.44 2k6q n GLU 4 Ca 0.52 0.83 -0.30 0.00 0.66 0.00 0.00 57.16 58.87 2k6q n GLU 4 Cb 0.31 -2.66 0.13 0.00 0.27 0.00 0.00 31.44 29.49 2k6q n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k6q s LYS 5 N 2.72 1.38 0.17 5.31 1.02 -1.26 -5.02 119.74 124.06 2k6q s LYS 5 Ca 0.86 0.89 -0.11 0.00 0.02 0.00 0.00 55.97 57.62 2k6q s LYS 5 Cb -0.65 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.78 2k6q s LYS 5 CO 0.44 -2.17 0.52 0.95 -0.92 0.00 0.00 175.35 174.16 2k6q s THR 6 N -2.92 4.94 0.61 2.17 -4.23 -1.26 -4.64 115.64 110.32 2k6q s THR 6 Ca 0.63 0.59 0.25 0.00 -1.18 0.00 0.00 61.69 61.98 2k6q s THR 6 Cb -0.18 -3.67 0.35 0.00 1.34 0.00 0.00 72.50 70.34 2k6q s THR 6 CO 0.57 0.12 1.47 -0.26 -0.54 0.00 0.00 174.62 175.97 2k6q h PHE 7 N 3.15 0.00 0.20 3.99 -1.00 -1.97 2.05 116.94 123.36 2k6q h PHE 7 Ca -0.48 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.04 2k6q h PHE 7 Cb 1.18 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.77 2k6q h PHE 7 CO 0.64 0.00 -1.18 1.57 -1.61 0.00 0.00 178.31 177.72 2k6q h LYS 8 N 0.00 0.41 0.00 1.51 2.10 -1.91 -3.25 116.57 115.43 2k6q h LYS 8 Ca 0.35 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2k6q h LYS 8 Cb 2.27 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 33.86 2k6q h LYS 8 CO -0.00 1.34 -0.06 1.96 -2.00 0.00 0.00 179.45 180.68 2k6q h GLN 9 N -0.11 0.00 0.00 0.07 1.08 0.23 -3.40 115.11 112.98 2k6q h GLN 9 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2k6q h GLN 9 Cb 1.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2k6q h GLN 9 CO 0.21 0.00 0.00 -2.13 -0.95 0.00 0.00 178.83 175.96 2k6q n ARG 10 N -4.32 0.00 -1.53 1.46 3.00 0.39 -4.43 116.66 111.23 2k6q n ARG 10 Ca -0.01 0.63 -0.41 0.00 -0.00 0.00 0.00 57.85 58.06 2k6q n ARG 10 Cb 0.03 -1.06 0.01 0.00 0.00 0.00 0.00 32.46 31.45 2k6q n ARG 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k6q n ARG 11 N -1.82 0.89 -2.52 -0.14 3.00 -1.23 -4.88 116.66 109.97 2k6q n ARG 11 Ca 0.00 0.32 -0.42 0.00 -0.01 0.00 0.00 57.85 57.74 2k6q n ARG 11 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 32.46 30.66 2k6q n ARG 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2k6q s SER 12 N -0.91 7.13 0.22 0.55 0.01 -1.26 -4.85 113.70 114.59 2k6q s SER 12 Ca 0.65 1.80 -0.08 0.00 1.31 0.00 0.00 55.95 59.63 2k6q s SER 12 Cb -0.56 -2.56 0.34 0.00 0.21 0.00 0.00 66.02 63.45 2k6q s SER 12 CO 0.56 -0.50 1.72 0.15 0.41 0.00 0.00 173.24 175.59 2k6q h PHE 13 N 7.18 0.36 0.00 2.43 3.57 -1.87 0.71 116.94 129.32 2k6q h PHE 13 Ca -0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2k6q h PHE 13 Cb 1.18 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k6q h PHE 13 CO 0.71 0.04 0.00 0.93 -2.23 0.00 0.00 178.31 177.76 2k6q h GLU 14 N 0.36 0.00 0.12 1.11 3.07 -1.99 0.40 114.58 117.66 2k6q h GLU 14 Ca 0.35 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.85 2k6q h GLU 14 Cb 0.50 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2k6q h GLU 14 CO -0.38 0.00 -1.96 1.04 -1.40 0.00 0.00 179.01 176.32 2k6q n GLN 15 N -2.97 0.75 0.16 2.33 1.13 0.20 -2.98 117.38 116.01 2k6q n GLN 15 Ca -0.02 0.28 0.02 0.00 -1.94 0.00 0.00 57.00 55.34 2k6q n GLN 15 Cb 0.12 -1.71 0.25 0.00 0.11 0.00 0.00 30.24 29.01 2k6q n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k6q h ARG 16 N 0.00 0.00 -0.02 -1.09 2.47 0.43 -0.29 114.38 115.87 2k6q h ARG 16 Ca -0.42 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.25 2k6q h ARG 16 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.31 2k6q h ARG 16 CO 0.07 0.50 -0.16 0.28 0.56 0.00 0.00 179.97 181.23 2k6q h VAL 17 N 0.00 1.50 0.14 2.04 2.07 -0.38 -3.08 116.25 118.55 2k6q h VAL 17 Ca -0.01 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2k6q h VAL 17 Cb 0.98 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2k6q h VAL 17 CO 0.07 0.47 -0.07 -0.08 0.02 0.00 0.00 177.57 177.97 2k6q h GLU 18 N -0.46 -0.19 -1.20 1.57 4.81 -1.49 -2.17 114.58 115.46 2k6q h GLU 18 Ca -0.01 0.01 0.37 0.00 -0.13 0.00 0.00 59.36 59.60 2k6q h GLU 18 Cb 0.84 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.15 2k6q h GLU 18 CO 0.03 -0.01 0.76 0.22 -0.73 0.00 0.00 179.01 179.29 2k6q h ASP 19 N -0.34 0.33 -0.22 1.04 -0.00 -1.14 1.30 116.42 117.39 2k6q h ASP 19 Ca -0.02 0.13 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 2k6q h ASP 19 Cb 0.27 0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 39.69 2k6q h ASP 19 CO 0.03 -0.10 -0.23 0.58 -0.00 0.00 0.00 179.24 179.53 2k6q h VAL 20 N 0.20 1.32 -0.94 2.25 2.07 -1.32 -3.08 116.25 116.75 2k6q h VAL 20 Ca 0.74 -1.39 0.34 0.00 0.82 0.00 0.00 66.70 67.20 2k6q h VAL 20 Cb 2.15 1.73 -0.17 0.00 -1.52 0.00 0.00 31.29 33.48 2k6q h VAL 20 CO -0.40 0.43 0.29 -1.14 0.02 0.00 0.00 177.57 176.77 2k6q n ARG 21 N -4.40 -0.06 0.12 1.57 0.63 0.44 0.58 116.66 115.55 2k6q n ARG 21 Ca -0.05 1.35 -0.05 0.00 -0.92 0.00 0.00 57.85 58.18 2k6q n ARG 21 Cb 0.42 -2.30 -0.03 0.00 0.45 0.00 0.00 32.46 31.01 2k6q n ARG 21 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2k6q h LEU 22 N 0.00 -0.32 -1.78 6.15 -0.00 -1.42 0.25 115.31 118.19 2k6q h LEU 22 Ca 0.70 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.73 2k6q h LEU 22 Cb 1.70 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 42.43 2k6q h LEU 22 CO -0.80 -0.20 0.58 -0.29 -0.00 0.00 0.00 178.44 177.72 2k6q h ILE 23 N -0.33 0.25 -0.03 1.22 6.09 -0.79 1.83 117.51 125.75 2k6q h ILE 23 Ca -0.03 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 63.26 2k6q h ILE 23 Cb 0.26 0.52 -0.00 0.00 0.47 0.00 0.00 36.82 38.07 2k6q h ILE 23 CO 0.04 0.00 -0.84 0.03 -3.07 0.00 0.00 178.15 174.31 2k6q h ARG 24 N 0.00 0.37 -0.01 2.19 2.47 0.10 1.03 114.38 120.53 2k6q h ARG 24 Ca 0.22 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2k6q h ARG 24 Cb 1.37 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 2k6q h ARG 24 CO -0.00 1.02 -0.45 -0.85 0.56 0.00 0.00 179.97 180.25 2k6q n GLU 25 N -3.77 1.18 -0.03 0.04 0.28 0.40 -4.07 120.64 114.67 2k6q n GLU 25 Ca -0.05 -0.95 -0.07 0.00 -0.16 0.00 0.00 57.16 55.93 2k6q n GLU 25 Cb 0.78 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 32.14 2k6q n GLU 25 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2k6q n GLN 26 N -0.08 0.26 -3.82 3.44 6.02 0.52 -4.87 117.38 118.84 2k6q n GLN 26 Ca 0.10 0.10 -0.31 0.00 -0.01 0.00 0.00 57.00 56.89 2k6q n GLN 26 Cb 0.46 -0.94 -0.10 0.00 1.02 0.00 0.00 30.24 30.67 2k6q n GLN 26 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2k6q s HIS 27 N -2.37 3.65 0.20 1.08 3.76 0.36 -4.88 115.29 117.08 2k6q s HIS 27 Ca -0.15 -3.23 0.05 0.00 -0.15 0.00 0.00 55.06 51.58 2k6q s HIS 27 Cb 0.03 -2.88 0.09 0.00 1.11 0.00 0.00 32.58 30.94 2k6q s HIS 27 CO 0.21 -0.62 1.45 -1.00 -0.85 0.00 0.00 174.74 173.93 2k6q h PRO 28 N 5.66 0.14 -0.98 8.40 0.13 -1.69 -3.06 132.00 140.61 2k6q h PRO 28 Ca 0.13 -0.14 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2k6q h PRO 28 Cb 0.78 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 31.81 2k6q h PRO 28 CO 0.76 0.85 0.30 0.25 -0.23 0.00 0.00 178.00 179.93 2k6q n THR 29 N -3.69 2.06 -4.15 1.56 -2.24 -1.26 -4.83 114.28 101.72 2k6q n THR 29 Ca -0.02 -0.96 -0.15 0.00 -2.27 0.00 0.00 64.05 60.65 2k6q n THR 29 Cb 0.75 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 2k6q n THR 29 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2k6q s LYS 30 N -1.72 0.54 -0.33 -0.78 -0.14 -1.15 -3.19 119.74 112.97 2k6q s LYS 30 Ca 0.29 -0.50 -0.12 0.00 -1.36 0.00 0.00 55.97 54.29 2k6q s LYS 30 Cb 0.24 -0.44 -0.02 0.00 -1.68 0.00 0.00 37.83 35.93 2k6q s LYS 30 CO 0.06 0.11 0.22 0.42 -0.76 0.00 0.00 175.35 175.39 2k6q s ILE 31 N -0.73 5.16 0.26 2.17 -1.09 0.81 -4.90 121.20 122.89 2k6q s ILE 31 Ca -0.03 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 57.90 2k6q s ILE 31 Cb -0.06 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.11 2k6q s ILE 31 CO 0.00 0.05 1.08 -2.16 -1.23 0.00 0.00 174.94 172.68 2k6q s PRO 32 N 1.71 4.66 0.08 2.79 0.04 -1.26 -2.32 135.00 140.70 2k6q s PRO 32 Ca 0.06 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 2k6q s PRO 32 Cb -0.17 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2k6q s PRO 32 CO 0.10 0.23 0.10 0.14 0.04 0.00 0.00 177.00 177.61 2k6q s VAL 33 N -1.05 0.16 -0.33 -0.36 -7.23 -1.19 -3.24 120.40 107.17 2k6q s VAL 33 Ca 0.45 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2k6q s VAL 33 Cb -0.31 -1.49 0.11 0.00 0.56 0.00 0.00 36.38 35.25 2k6q s VAL 33 CO 0.39 -0.75 0.14 -0.63 -0.31 0.00 0.00 175.10 173.95 2k6q s ILE 34 N -3.90 0.60 -0.13 -0.62 -1.09 0.33 -3.22 121.20 113.17 2k6q s ILE 34 Ca 0.08 -1.45 -0.14 0.00 -2.23 0.00 0.00 60.65 56.90 2k6q s ILE 34 Cb 0.06 -1.45 -0.05 0.00 -1.58 0.00 0.00 42.46 39.44 2k6q s ILE 34 CO -0.09 -0.77 0.32 -0.63 -1.23 0.00 0.00 174.94 172.54 2k6q s ILE 35 N 1.47 5.27 0.25 2.92 1.01 -1.15 -2.29 121.20 128.67 2k6q s ILE 35 Ca 0.12 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.42 2k6q s ILE 35 Cb -0.19 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2k6q s ILE 35 CO -0.20 0.42 0.04 -1.61 0.00 0.00 0.00 174.94 173.59 2k6q s GLU 36 N 0.20 1.37 0.12 2.79 8.01 -0.73 -4.53 118.70 125.93 2k6q s GLU 36 Ca 0.19 -1.72 -0.30 0.00 0.01 0.00 0.00 54.97 53.15 2k6q s GLU 36 Cb -0.14 -0.47 -0.07 0.00 -4.31 0.00 0.00 34.13 29.15 2k6q s GLU 36 CO 0.06 -0.19 1.12 -0.98 0.01 0.00 0.00 175.26 175.28 2k6q s ARG 37 N -3.94 4.54 0.39 1.61 1.70 -1.26 -2.76 118.95 119.24 2k6q s ARG 37 Ca 0.32 1.70 -0.27 0.00 -0.47 0.00 0.00 55.73 57.01 2k6q s ARG 37 Cb 0.07 -3.32 -0.10 0.00 -0.57 0.00 0.00 34.95 31.03 2k6q s ARG 37 CO 0.11 -0.04 1.43 0.98 -1.08 0.00 0.00 175.30 176.70 2k6q n TYR 38 N 3.00 2.74 -1.54 5.89 4.19 -1.07 -4.79 117.16 125.58 2k6q n TYR 38 Ca 0.05 0.47 -0.32 0.00 3.31 0.00 0.00 57.90 61.41 2k6q n TYR 38 Cb 0.47 -2.48 -0.06 0.00 0.49 0.00 0.00 39.34 37.75 2k6q n TYR 38 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2k6q n LYS 39 N 0.27 0.77 0.00 2.98 2.85 -1.26 0.87 118.16 124.64 2k6q n LYS 39 Ca 0.03 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2k6q n LYS 39 Cb 0.39 -3.16 0.00 0.00 -0.65 0.00 0.00 35.03 31.61 2k6q n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k6q n GLY 40 N 6.21 1.48 3.49 2.58 0.00 -1.26 -5.08 105.19 112.61 2k6q n GLY 40 Ca 0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 2k6q n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k6q s GLU 41 N -0.17 3.19 -0.03 1.61 -6.30 0.25 -4.81 118.70 112.45 2k6q s GLU 41 Ca 0.00 -0.60 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 2k6q s GLU 41 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 34.13 30.12 2k6q s GLU 41 CO 0.00 -1.02 -0.02 0.36 0.02 0.00 0.00 175.26 174.60 2k6q n LYS 42 N 6.06 0.15 0.00 4.30 -0.00 -1.26 -4.81 118.16 122.60 2k6q n LYS 42 Ca -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2k6q n LYS 42 Cb 0.47 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.45 2k6q n LYS 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2k6q n GLN 43 N -2.56 0.00 -1.62 -1.58 1.13 -1.26 -4.54 117.38 106.94 2k6q n GLN 43 Ca -0.05 0.49 -0.38 0.00 -1.94 0.00 0.00 57.00 55.12 2k6q n GLN 43 Cb 0.55 -1.10 0.04 0.00 0.11 0.00 0.00 30.24 29.84 2k6q n GLN 43 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2k6q n LEU 44 N -1.28 3.59 -4.79 1.08 4.77 -1.26 -4.97 117.00 114.14 2k6q n LEU 44 Ca 0.00 0.86 -0.29 0.00 -0.03 0.00 0.00 56.01 56.55 2k6q n LEU 44 Cb 0.00 -1.40 0.12 0.00 -2.33 0.00 0.00 43.42 39.82 2k6q n LEU 44 CO 0.00 -1.70 0.72 -2.16 -1.33 0.00 0.00 177.39 172.92 2k6q s PRO 45 N -2.61 1.44 -0.20 3.23 0.04 -1.26 -5.00 135.00 130.64 2k6q s PRO 45 Ca 0.73 0.39 -0.26 0.00 0.04 0.00 0.00 61.00 61.90 2k6q s PRO 45 Cb -0.44 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2k6q s PRO 45 CO 0.49 -2.01 0.88 0.08 0.04 0.00 0.00 177.00 176.48 2k6q s VAL 46 N -3.25 4.82 0.58 -0.36 1.01 -1.26 -5.00 120.40 116.95 2k6q s VAL 46 Ca 0.63 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 64.13 2k6q s VAL 46 Cb -0.15 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 2k6q s VAL 46 CO 0.53 -0.05 0.24 -0.11 0.00 0.00 0.00 175.10 175.72 2k6q n LEU 47 N 5.69 -1.09 -0.07 3.92 -0.00 -1.26 -4.80 117.00 119.38 2k6q n LEU 47 Ca 0.06 0.67 0.10 0.00 -0.00 0.00 0.00 56.01 56.85 2k6q n LEU 47 Cb 0.48 -1.04 0.48 0.00 -0.00 0.00 0.00 43.42 43.33 2k6q n LEU 47 CO 0.49 -3.80 1.18 -2.24 -0.00 0.00 0.00 177.39 173.02 2k6q h ASP 48 N 0.04 0.41 -2.43 1.96 3.04 -1.94 -3.45 116.42 114.05 2k6q h ASP 48 Ca -0.44 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.30 2k6q h ASP 48 Cb 1.41 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.61 2k6q h ASP 48 CO 0.44 0.26 0.11 2.29 -2.04 0.00 0.00 179.24 180.29 2k6q n LYS 49 N -4.47 0.64 -0.06 4.15 0.00 -1.26 -5.08 118.16 112.08 2k6q n LYS 49 Ca 0.09 -1.46 -0.08 0.00 -0.00 0.00 0.00 58.31 56.85 2k6q n LYS 49 Cb 0.30 1.71 -0.05 0.00 -0.00 0.00 0.00 35.03 36.99 2k6q n LYS 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2k6q n THR 50 N -0.34 0.65 -2.29 0.58 -1.04 -1.26 -4.89 114.28 105.68 2k6q n THR 50 Ca -0.04 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2k6q n THR 50 Cb 0.37 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 2k6q n THR 50 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2k6q s LYS 51 N -2.23 4.33 -0.03 -2.82 1.02 -1.26 -2.96 119.74 115.80 2k6q s LYS 51 Ca -0.15 1.90 -0.00 0.00 0.02 0.00 0.00 55.97 57.74 2k6q s LYS 51 Cb 0.04 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2k6q s LYS 51 CO 0.26 -0.47 0.02 -0.06 -0.92 0.00 0.00 175.35 174.18 2k6q s PHE 52 N 1.87 0.17 -0.52 3.18 0.08 -1.20 -5.04 117.98 116.52 2k6q s PHE 52 Ca 0.62 0.08 -0.19 0.00 0.12 0.00 0.00 56.93 57.56 2k6q s PHE 52 Cb -0.31 -0.36 0.07 0.00 -0.57 0.00 0.00 43.02 41.85 2k6q s PHE 52 CO 0.27 -0.13 0.62 -0.51 -0.10 0.00 0.00 175.22 175.38 2k6q s LEU 53 N 1.22 5.12 0.03 -0.37 1.43 -1.26 -3.15 118.68 121.71 2k6q s LEU 53 Ca -0.07 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 51.82 2k6q s LEU 53 Cb -0.13 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 2k6q s LEU 53 CO -0.03 -0.92 0.42 -0.69 0.23 0.00 0.00 176.35 175.36 2k6q s VAL 54 N 2.55 5.03 0.22 -1.59 1.01 -0.98 -4.90 120.40 121.75 2k6q s VAL 54 Ca 0.13 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 2k6q s VAL 54 Cb -0.21 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 2k6q s VAL 54 CO 0.10 0.48 1.10 -2.16 0.00 0.00 0.00 175.10 174.63 2k6q s PRO 55 N -1.35 4.61 -0.32 2.72 0.04 -1.26 -0.13 135.00 139.30 2k6q s PRO 55 Ca 0.27 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2k6q s PRO 55 Cb -0.16 -3.24 0.13 0.00 0.04 0.00 0.00 34.50 31.27 2k6q s PRO 55 CO 0.15 0.13 2.34 -0.40 0.04 0.00 0.00 177.00 179.26 2k6q n ASP 56 N 1.86 6.34 -0.36 6.66 5.75 -1.19 -3.42 116.55 132.19 2k6q n ASP 56 Ca 0.01 -3.04 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 2k6q n ASP 56 Cb 0.45 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 2k6q n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k6q n HIS 57 N 0.69 0.00 -3.32 2.11 1.44 -1.26 -4.93 115.22 109.95 2k6q n HIS 57 Ca 0.35 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 2k6q n HIS 57 Cb 0.59 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2k6q n HIS 57 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2k6q n VAL 58 N 0.00 0.00 -4.18 0.61 0.24 -1.22 -5.13 118.33 108.65 2k6q n VAL 58 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 2k6q n VAL 58 Cb 0.61 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.91 2k6q n VAL 58 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k6q s ASN 59 N 0.36 4.46 0.49 -1.34 4.22 -1.26 -3.47 114.94 118.39 2k6q s ASN 59 Ca 0.00 -0.91 0.16 0.00 -2.14 0.00 0.00 52.86 49.96 2k6q s ASN 59 Cb 0.00 -0.61 1.19 0.00 1.28 0.00 0.00 41.25 43.11 2k6q s ASN 59 CO 0.00 -0.33 2.09 0.00 -2.04 0.00 0.00 177.10 176.81 2k6q h MET 60 N 1.60 0.15 -0.24 3.55 -0.00 -1.79 -2.11 114.93 116.10 2k6q h MET 60 Ca -0.43 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 59.31 2k6q h MET 60 Cb 1.25 -0.03 -0.05 0.00 -0.00 0.00 0.00 31.60 32.77 2k6q h MET 60 CO 0.66 0.10 -0.10 1.03 -0.00 0.00 0.00 176.91 178.59 2k6q h SER 61 N 0.15 -0.35 -0.86 -0.10 0.87 -1.93 -2.15 113.55 109.19 2k6q h SER 61 Ca 0.10 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.89 2k6q h SER 61 Cb 0.23 0.20 -0.15 0.00 -0.44 0.00 0.00 62.40 62.24 2k6q h SER 61 CO -0.02 -0.13 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.46 2k6q h GLU 62 N -0.07 -0.05 -0.97 2.24 4.39 -1.79 0.42 114.58 118.76 2k6q h GLU 62 Ca 0.12 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.99 2k6q h GLU 62 Cb 0.25 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.75 2k6q h GLU 62 CO -0.28 -0.03 -0.33 -0.11 -1.16 0.00 0.00 179.01 177.09 2k6q n LEU 63 N -5.47 -0.54 0.28 1.33 0.00 -0.81 0.31 117.00 112.11 2k6q n LEU 63 Ca 0.08 1.69 -0.16 0.00 0.00 0.00 0.00 56.01 57.61 2k6q n LEU 63 Cb 0.39 -0.43 -0.08 0.00 0.00 0.00 0.00 43.42 43.30 2k6q n LEU 63 CO -0.09 -1.55 0.65 0.40 0.00 0.00 0.00 177.39 176.80 2k6q h ILE 64 N 0.00 0.32 -0.94 1.96 2.04 -0.21 0.31 117.51 120.99 2k6q h ILE 64 Ca 0.38 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.51 2k6q h ILE 64 Cb 0.62 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2k6q h ILE 64 CO -0.98 0.00 0.94 0.11 0.00 0.00 0.00 178.15 178.22 2k6q h LYS 65 N -0.79 0.00 0.00 2.37 1.57 0.87 0.68 116.57 121.27 2k6q h LYS 65 Ca -0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2k6q h LYS 65 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2k6q h LYS 65 CO 0.03 0.00 -0.56 0.82 -0.57 0.00 0.00 179.45 179.18 2k6q h ILE 66 N 0.00 1.41 -0.05 1.86 1.08 0.12 -3.15 117.51 118.78 2k6q h ILE 66 Ca 0.45 -2.27 0.01 0.00 -0.39 0.00 0.00 64.86 62.65 2k6q h ILE 66 Cb 2.32 2.88 -0.01 0.00 -3.07 0.00 0.00 36.82 38.94 2k6q h ILE 66 CO -0.00 0.48 -0.08 0.40 -0.69 0.00 0.00 178.15 178.26 2k6q h ILE 67 N -1.00 0.00 -0.84 -0.67 1.08 0.40 0.30 117.51 116.78 2k6q h ILE 67 Ca -0.15 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.53 2k6q h ILE 67 Cb 1.14 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.75 2k6q h ILE 67 CO -0.09 0.00 0.14 0.08 -0.69 0.00 0.00 178.15 177.59 2k6q h ARG 68 N -0.05 0.16 -0.74 2.37 0.11 -1.42 1.19 114.38 115.99 2k6q h ARG 68 Ca 0.01 -0.01 0.12 0.00 0.10 0.00 0.00 59.98 60.20 2k6q h ARG 68 Cb 0.08 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 31.08 2k6q h ARG 68 CO -0.08 0.10 0.49 0.00 0.10 0.00 0.00 179.97 180.58 2k6q h ARG 69 N 0.16 0.53 -0.05 0.08 -0.00 -0.98 0.35 114.38 114.48 2k6q h ARG 69 Ca 0.51 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.93 2k6q h ARG 69 Cb 0.98 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.83 2k6q h ARG 69 CO -0.67 0.35 -0.08 0.00 0.00 0.00 0.00 179.97 179.57 2k6q h ARG 70 N 0.55 0.14 0.00 0.04 2.47 0.50 -2.74 114.38 115.33 2k6q h ARG 70 Ca 0.35 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2k6q h ARG 70 Cb 0.62 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2k6q h ARG 70 CO -0.12 0.65 0.00 1.28 0.56 0.00 0.00 179.97 182.33 2k6q n LEU 71 N -4.70 0.00 -4.07 3.04 4.77 -0.32 -4.86 117.00 110.85 2k6q n LEU 71 Ca -0.08 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.06 2k6q n LEU 71 Cb 0.33 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 2k6q n LEU 71 CO 0.36 -0.23 -0.30 0.00 -1.33 0.00 0.00 177.39 175.89 2k6q n GLN 72 N -1.43 -2.58 -1.23 3.23 10.64 0.11 -4.91 117.38 121.21 2k6q n GLN 72 Ca 0.04 0.31 -0.29 0.00 -1.83 0.00 0.00 57.00 55.23 2k6q n GLN 72 Cb 0.14 -4.26 0.16 0.00 -0.86 0.00 0.00 30.24 25.42 2k6q n GLN 72 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2k6q s LEU 73 N -7.10 1.90 0.95 2.61 1.43 -1.15 -5.04 118.68 112.28 2k6q s LEU 73 Ca 0.02 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 2k6q s LEU 73 Cb -0.01 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 42.82 2k6q s LEU 73 CO 0.92 -2.87 1.24 0.20 0.23 0.00 0.00 176.35 176.08 2k6q s ASN 74 N -3.52 3.25 0.00 2.29 0.01 -1.26 -4.93 114.94 110.78 2k6q s ASN 74 Ca 0.64 0.52 0.32 0.00 -0.71 0.00 0.00 52.86 53.63 2k6q s ASN 74 Cb -0.18 -0.76 1.83 0.00 0.41 0.00 0.00 41.25 42.55 2k6q s ASN 74 CO 0.57 -2.67 2.19 0.00 -1.51 0.00 0.00 177.10 175.68 2k6q n ALA 75 N -3.77 2.65 -0.04 0.60 0.00 -1.26 -3.12 120.51 115.56 2k6q n ALA 75 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 2k6q n ALA 75 Cb 0.60 -1.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 2k6q n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k6q n ASN 76 N -1.05 2.98 -4.44 0.00 3.02 -1.26 -5.03 115.26 109.49 2k6q n ASN 76 Ca 0.22 -0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2k6q n ASN 76 Cb 0.14 0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.80 2k6q n ASN 76 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2k6q n GLN 77 N -2.44 0.50 -4.82 3.52 0.00 -1.18 -4.96 117.38 108.00 2k6q n GLN 77 Ca -0.15 0.18 -0.33 0.00 -0.00 0.00 0.00 57.00 56.70 2k6q n GLN 77 Cb 0.76 -1.45 -0.14 0.00 0.00 0.00 0.00 30.24 29.40 2k6q n GLN 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k6q s ALA 78 N -1.50 2.64 -0.08 1.69 0.00 -1.26 -4.86 121.76 118.39 2k6q s ALA 78 Ca 0.63 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 2k6q s ALA 78 Cb -0.60 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2k6q s ALA 78 CO 0.58 0.37 0.37 0.12 0.00 0.00 0.00 175.76 177.20 2k6q s PHE 79 N -0.07 -0.33 -0.08 0.00 2.19 -1.26 -4.18 117.98 114.25 2k6q s PHE 79 Ca -0.02 0.70 -0.03 0.00 0.33 0.00 0.00 56.93 57.90 2k6q s PHE 79 Cb -0.14 0.14 0.05 0.00 -1.31 0.00 0.00 43.02 41.76 2k6q s PHE 79 CO 0.04 -0.31 0.17 -0.06 1.83 0.00 0.00 175.22 176.89 2k6q s PHE 80 N -0.56 -0.20 -0.38 10.12 0.08 0.23 -4.96 117.98 122.31 2k6q s PHE 80 Ca -0.07 0.62 -0.22 0.00 0.12 0.00 0.00 56.93 57.38 2k6q s PHE 80 Cb -0.04 -0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 2k6q s PHE 80 CO 0.03 -0.25 0.72 -1.17 -0.10 0.00 0.00 175.22 174.45 2k6q s LEU 81 N 1.97 4.22 -0.31 -0.37 0.20 -1.26 -1.51 118.68 121.62 2k6q s LEU 81 Ca -0.01 0.14 -0.19 0.00 0.69 0.00 0.00 54.13 54.76 2k6q s LEU 81 Cb -0.12 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 2k6q s LEU 81 CO -0.06 -0.72 0.58 -0.76 -0.29 0.00 0.00 176.35 175.09 2k6q s LEU 82 N 2.98 4.18 -0.56 -0.68 2.01 0.12 -4.19 118.68 122.54 2k6q s LEU 82 Ca 0.28 0.31 -0.25 0.00 0.01 0.00 0.00 54.13 54.47 2k6q s LEU 82 Cb -0.13 -2.72 0.04 0.00 0.01 0.00 0.00 46.19 43.38 2k6q s LEU 82 CO 0.17 -0.45 1.01 -0.69 1.01 0.00 0.00 176.35 177.40 2k6q s VAL 83 N 2.50 4.29 -0.31 -1.59 1.01 0.53 0.14 120.40 126.97 2k6q s VAL 83 Ca 0.23 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2k6q s VAL 83 Cb -0.15 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2k6q s VAL 83 CO 0.12 -1.18 0.00 -3.20 0.00 0.00 0.00 175.10 170.84 2k6q n ASN 84 N 7.73 -3.72 0.00 3.32 2.85 0.00 -2.15 115.26 123.29 2k6q n ASN 84 Ca 0.03 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2k6q n ASN 84 Cb 0.48 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.02 2k6q n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k6q n GLY 85 N -2.15 0.62 3.23 8.20 0.00 -1.21 -5.01 105.19 108.87 2k6q n GLY 85 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2k6q n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k6q s HIS 86 N -2.15 2.09 1.22 1.61 -3.43 -0.92 -4.96 115.29 108.76 2k6q s HIS 86 Ca 0.00 -0.53 -0.16 0.00 -0.80 0.00 0.00 55.06 53.56 2k6q s HIS 86 Cb 0.00 -1.37 0.26 0.00 -1.43 0.00 0.00 32.58 30.05 2k6q s HIS 86 CO 0.00 -0.13 0.69 0.43 -2.00 0.00 0.00 174.74 173.73 2k6q n SER 87 N 2.84 -2.50 -1.11 7.38 7.64 -1.26 0.20 113.62 126.81 2k6q n SER 87 Ca -0.17 -0.32 -0.03 0.00 1.01 0.00 0.00 58.87 59.36 2k6q n SER 87 Cb 0.52 -1.10 0.20 0.00 -1.01 0.00 0.00 64.21 62.83 2k6q n SER 87 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2k6q n MET 88 N -4.27 1.86 -1.64 1.43 0.00 -1.26 -4.54 117.12 108.71 2k6q n MET 88 Ca 0.04 -3.18 -0.51 0.00 0.00 0.00 0.00 57.70 54.05 2k6q n MET 88 Cb 0.56 -1.80 -0.05 0.00 0.00 0.00 0.00 33.22 31.92 2k6q n MET 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2k6q n VAL 89 N -1.10 0.08 -0.68 3.17 3.14 -1.26 -0.14 118.33 121.54 2k6q n VAL 89 Ca 0.32 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 2k6q n VAL 89 Cb 1.00 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 2k6q n VAL 89 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k6q n SER 90 N 3.46 -2.05 -3.98 6.55 7.64 -1.26 -4.91 113.62 119.08 2k6q n SER 90 Ca 0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 2k6q n SER 90 Cb 0.22 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.95 2k6q n SER 90 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2k6q n VAL 91 N -2.68 0.00 -2.03 0.44 3.14 0.80 -4.65 118.33 113.36 2k6q n VAL 91 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 2k6q n VAL 91 Cb 0.00 -0.45 0.02 0.00 -1.06 0.00 0.00 33.84 32.35 2k6q n VAL 91 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2k6q n SER 92 N 8.70 0.39 -4.17 6.55 2.88 -1.26 -4.95 113.62 121.76 2k6q n SER 92 Ca 0.57 -2.11 -0.21 0.00 -1.33 0.00 0.00 58.87 55.78 2k6q n SER 92 Cb 0.01 -0.24 -0.14 0.00 -0.75 0.00 0.00 64.21 63.09 2k6q n SER 92 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k6q s THR 93 N -0.26 1.24 0.30 2.46 2.01 -1.26 -5.11 115.64 115.02 2k6q s THR 93 Ca 0.10 -1.03 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 2k6q s THR 93 Cb 0.10 -1.10 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 2k6q s THR 93 CO -0.03 0.06 1.08 -2.16 -0.69 0.00 0.00 174.62 172.87 2k6q s PRO 94 N -1.12 4.57 0.63 4.92 0.04 -1.26 -2.63 135.00 140.15 2k6q s PRO 94 Ca 0.03 1.72 0.26 0.00 0.04 0.00 0.00 61.00 63.05 2k6q s PRO 94 Cb -0.08 -3.07 1.36 0.00 0.04 0.00 0.00 34.50 32.75 2k6q s PRO 94 CO 0.01 0.17 1.77 0.97 0.04 0.00 0.00 177.00 179.97 2k6q h ILE 95 N 2.92 0.15 -0.51 0.56 6.09 -1.78 0.95 117.51 125.89 2k6q h ILE 95 Ca -0.47 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 62.90 2k6q h ILE 95 Cb 1.21 0.53 -0.02 0.00 0.47 0.00 0.00 36.82 39.02 2k6q h ILE 95 CO 0.66 0.00 -0.14 0.77 -3.07 0.00 0.00 178.15 176.37 2k6q h SER 96 N 0.00 0.99 0.00 2.19 4.64 -1.86 -2.41 113.55 117.10 2k6q h SER 96 Ca 0.12 -0.34 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 2k6q h SER 96 Cb 1.17 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2k6q h SER 96 CO -0.00 1.12 -0.57 -0.33 -0.87 0.00 0.00 176.83 176.18 2k6q h GLU 97 N 0.87 0.00 -1.52 4.77 5.08 0.41 -2.94 114.58 121.25 2k6q h GLU 97 Ca 0.13 0.00 0.46 0.00 -1.00 0.00 0.00 59.36 58.95 2k6q h GLU 97 Cb 0.70 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 2k6q h GLU 97 CO 0.05 0.66 1.05 0.28 -1.00 0.00 0.00 179.01 180.05 2k6q h VAL 98 N -1.00 0.15 0.00 3.13 2.07 -0.84 1.62 116.25 121.39 2k6q h VAL 98 Ca -0.13 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k6q h VAL 98 Cb 0.87 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2k6q h VAL 98 CO -0.08 0.01 -0.00 0.22 0.02 0.00 0.00 177.57 177.74 2k6q h TYR 99 N 0.05 -0.00 0.00 1.57 5.03 -1.54 -2.02 116.97 120.06 2k6q h TYR 99 Ca 0.81 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 62.12 2k6q h TYR 99 Cb 2.90 0.00 0.00 0.00 1.55 0.00 0.00 36.73 41.18 2k6q h TYR 99 CO -0.00 0.90 0.00 -0.85 -1.32 0.00 0.00 178.16 176.89 2k6q n GLU 100 N -4.65 0.31 0.00 1.82 0.28 0.19 0.18 120.64 118.77 2k6q n GLU 100 Ca -0.10 0.10 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2k6q n GLU 100 Cb 0.44 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.79 2k6q n GLU 100 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k6q n SER 101 N -1.24 1.14 0.08 -1.84 7.64 0.50 -4.77 113.62 115.13 2k6q n SER 101 Ca 0.09 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2k6q n SER 101 Cb 0.13 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2k6q n SER 101 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k6q n GLU 102 N -0.46 0.00 -1.02 1.43 -0.58 -0.55 -5.01 120.64 114.45 2k6q n GLU 102 Ca 0.04 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.44 2k6q n GLU 102 Cb 0.23 -0.31 0.03 0.00 -0.57 0.00 0.00 31.44 30.81 2k6q n GLU 102 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2k6q n ARG 103 N -3.45 0.00 -3.18 3.49 -4.01 0.49 -4.98 116.66 105.02 2k6q n ARG 103 Ca 0.00 0.00 -0.19 0.00 -1.04 0.00 0.00 57.85 56.62 2k6q n ARG 103 Cb 0.02 -0.92 0.00 0.00 -3.04 0.00 0.00 32.46 28.52 2k6q n ARG 103 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2k6q n ASP 104 N 2.85 2.25 0.16 2.89 -0.08 -1.26 -4.87 116.55 118.49 2k6q n ASP 104 Ca 0.02 -2.39 0.18 0.00 -1.51 0.00 0.00 54.79 51.09 2k6q n ASP 104 Cb 0.48 -0.05 0.66 0.00 2.34 0.00 0.00 41.12 44.55 2k6q n ASP 104 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k6q h GLU 105 N 0.00 0.00 -0.29 -0.67 5.08 -1.96 0.34 114.58 117.08 2k6q h GLU 105 Ca -0.25 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2k6q h GLU 105 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2k6q h GLU 105 CO 0.40 0.00 0.18 0.38 -1.00 0.00 0.00 179.01 178.97 2k6q h ASP 106 N 0.00 0.30 0.00 1.42 -0.00 -1.95 -3.47 116.42 112.73 2k6q h ASP 106 Ca 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 2k6q h ASP 106 Cb 1.26 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 2k6q h ASP 106 CO -0.00 0.22 0.00 0.61 -0.00 0.00 0.00 179.24 180.07 2k6q n GLY 107 N -1.18 0.99 3.20 7.15 0.00 0.12 -4.36 105.19 111.11 2k6q n GLY 107 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2k6q n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k6q s PHE 108 N -2.00 2.55 0.29 1.61 0.08 -1.26 -4.69 117.98 114.56 2k6q s PHE 108 Ca 0.00 -1.11 -0.26 0.00 0.12 0.00 0.00 56.93 55.68 2k6q s PHE 108 Cb 0.00 -1.72 -0.09 0.00 -0.57 0.00 0.00 43.02 40.64 2k6q s PHE 108 CO 0.00 -0.47 0.92 -0.51 -0.10 0.00 0.00 175.22 175.06 2k6q s LEU 109 N 0.48 4.41 -0.27 -0.37 1.43 -1.20 -4.30 118.68 118.86 2k6q s LEU 109 Ca -0.16 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 2k6q s LEU 109 Cb -0.17 -3.87 0.07 0.00 0.03 0.00 0.00 46.19 42.25 2k6q s LEU 109 CO 0.06 -0.00 -0.06 -0.31 0.23 0.00 0.00 176.35 176.26 2k6q s TYR 110 N -1.50 3.18 -0.02 0.29 2.02 -1.26 0.12 117.35 120.19 2k6q s TYR 110 Ca 0.47 -2.36 0.04 0.00 -0.37 0.00 0.00 57.07 54.86 2k6q s TYR 110 Cb -0.20 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 2k6q s TYR 110 CO 0.25 -0.88 -0.14 -1.64 -1.57 0.00 0.00 175.55 171.57 2k6q s MET 111 N 1.12 1.25 -0.19 -0.62 -1.94 -0.97 -0.82 119.30 117.13 2k6q s MET 111 Ca -0.04 -0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 53.41 2k6q s MET 111 Cb -0.20 -1.18 -0.00 0.00 2.01 0.00 0.00 34.83 35.46 2k6q s MET 111 CO -0.06 0.29 -0.11 0.08 -0.01 0.00 0.00 175.02 175.21 2k6q s VAL 112 N -0.24 2.90 0.16 -6.03 1.01 0.12 -1.77 120.40 116.56 2k6q s VAL 112 Ca 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2k6q s VAL 112 Cb -0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2k6q s VAL 112 CO -0.00 0.47 0.15 -0.72 0.00 0.00 0.00 175.10 175.00 2k6q s TYR 113 N 1.25 3.17 -0.02 5.22 -0.85 -1.11 0.13 117.35 125.14 2k6q s TYR 113 Ca 0.03 -0.01 -0.29 0.00 -0.52 0.00 0.00 57.07 56.28 2k6q s TYR 113 Cb -0.14 -1.52 0.10 0.00 0.38 0.00 0.00 41.96 40.77 2k6q s TYR 113 CO -0.05 0.52 1.29 0.00 -1.52 0.00 0.00 175.55 175.79 2k6q s ALA 114 N -1.75 -2.48 -0.21 9.51 0.00 -0.57 -2.58 121.76 123.68 2k6q s ALA 114 Ca 0.31 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.38 2k6q s ALA 114 Cb -0.10 0.85 0.22 0.00 0.00 0.00 0.00 23.12 24.10 2k6q s ALA 114 CO 0.24 -1.14 1.62 0.45 0.00 0.00 0.00 175.76 176.92 2k6q n SER 115 N -1.01 4.48 -3.68 0.00 2.88 -1.26 0.78 113.62 115.80 2k6q n SER 115 Ca 0.03 -2.75 -0.11 0.00 -1.33 0.00 0.00 58.87 54.71 2k6q n SER 115 Cb 0.59 -0.81 -0.11 0.00 -0.75 0.00 0.00 64.21 63.13 2k6q n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k6q s GLN 116 N -1.36 0.30 0.00 -1.46 -2.07 -1.26 -4.87 119.66 108.95 2k6q s GLN 116 Ca 0.23 0.84 0.13 0.00 -1.82 0.00 0.00 55.36 54.74 2k6q s GLN 116 Cb 0.19 0.08 -0.06 0.00 -1.09 0.00 0.00 33.01 32.13 2k6q s GLN 116 CO 0.02 -0.21 0.67 -1.91 -1.32 0.00 0.00 175.29 172.54 2k6q n GLU 117 N 4.82 2.24 -3.31 9.60 2.13 -1.26 -4.71 120.64 130.16 2k6q n GLU 117 Ca -0.16 -0.40 -0.26 0.00 0.66 0.00 0.00 57.16 57.01 2k6q n GLU 117 Cb 0.52 -1.16 -0.08 0.00 0.27 0.00 0.00 31.44 30.99 2k6q n GLU 117 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2k6q n THR 118 N -0.68 -0.70 -0.08 6.31 -2.24 -1.26 -4.71 114.28 110.92 2k6q n THR 118 Ca 0.04 -3.85 -0.11 0.00 -2.27 0.00 0.00 64.05 57.86 2k6q n THR 118 Cb 0.25 -1.85 -0.15 0.00 -2.10 0.00 0.00 70.33 66.48 2k6q n THR 118 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2k6q n PHE 119 N 1.99 0.29 0.00 4.78 -1.74 -1.26 -5.26 117.46 116.26 2k6q n PHE 119 Ca 0.25 0.10 0.00 0.00 -0.56 0.00 0.00 57.45 57.24 2k6q n PHE 119 Cb 0.50 -1.05 0.00 0.00 1.52 0.00 0.00 39.48 40.45 2k6q n PHE 119 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61