#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 2.11 0.00 4.33 1.00 -1.26 -5.09 119.30 120.39 2k6q s MET 1 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 55.69 53.41 2k6q s MET 1 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 34.83 31.32 2k6q s MET 1 CO 0.00 -1.10 0.00 -0.35 0.00 0.00 0.00 175.02 173.57 2k6q n PRO 2 N 3.78 -0.39 -1.31 2.03 -0.04 -1.26 -5.07 135.00 132.74 2k6q n PRO 2 Ca 0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.29 2k6q n PRO 2 Cb 0.38 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.98 2k6q n PRO 2 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k6q n SER 3 N -2.79 -0.02 -4.90 3.54 7.64 -1.26 -5.06 113.62 110.77 2k6q n SER 3 Ca 0.00 -1.32 -0.28 0.00 1.01 0.00 0.00 58.87 58.28 2k6q n SER 3 Cb 0.00 -0.72 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 2k6q n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2k6q s GLU 4 N -5.03 3.61 0.76 1.43 -1.05 -1.26 -5.06 118.70 112.09 2k6q s GLU 4 Ca 0.53 0.22 -0.11 0.00 -0.15 0.00 0.00 54.97 55.46 2k6q s GLU 4 Cb -0.02 -2.42 0.05 0.00 -0.44 0.00 0.00 34.13 31.30 2k6q s GLU 4 CO 0.37 -0.10 1.08 0.15 0.95 0.00 0.00 175.26 177.72 2k6q s LYS 5 N -4.37 2.39 0.12 -4.83 1.02 -1.26 -5.03 119.74 107.78 2k6q s LYS 5 Ca 0.48 1.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.45 2k6q s LYS 5 Cb -0.10 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 2k6q s LYS 5 CO 0.39 -1.53 0.47 0.95 -0.92 0.00 0.00 175.35 174.71 2k6q s THR 6 N -2.94 4.99 0.51 2.17 -4.23 -1.26 -4.63 115.64 110.25 2k6q s THR 6 Ca 0.60 0.60 0.46 0.00 -1.18 0.00 0.00 61.69 62.17 2k6q s THR 6 Cb -0.16 -3.68 0.68 0.00 1.34 0.00 0.00 72.50 70.67 2k6q s THR 6 CO 0.56 0.25 1.42 0.49 -0.54 0.00 0.00 174.62 176.79 2k6q n PHE 7 N 0.79 0.00 -0.01 3.99 3.01 -1.26 0.18 117.46 124.16 2k6q n PHE 7 Ca -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.29 2k6q n PHE 7 Cb 0.52 -0.45 -0.09 0.00 -0.01 0.00 0.00 39.48 39.46 2k6q n PHE 7 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2k6q h LYS 8 N 0.00 -0.08 0.23 -1.08 2.10 -1.92 -3.00 116.57 112.83 2k6q h LYS 8 Ca 0.86 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 59.50 2k6q h LYS 8 Cb 3.44 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 34.79 2k6q h LYS 8 CO -0.01 0.49 -0.11 1.96 -2.00 0.00 0.00 179.45 179.78 2k6q h GLN 9 N -0.90 -0.30 0.00 0.07 1.08 0.16 -3.36 115.11 111.85 2k6q h GLN 9 Ca -0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2k6q h GLN 9 Cb 0.61 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2k6q h GLN 9 CO 0.01 -0.20 0.00 -2.13 -0.95 0.00 0.00 178.83 175.56 2k6q n ARG 10 N -3.36 0.00 -2.31 1.46 3.00 0.25 -4.02 116.66 111.67 2k6q n ARG 10 Ca -0.04 0.92 -0.43 0.00 -0.00 0.00 0.00 57.85 58.30 2k6q n ARG 10 Cb 0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 31.18 2k6q n ARG 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2k6q s ARG 11 N -2.94 4.19 0.12 -0.14 3.00 -1.13 -4.94 118.95 117.11 2k6q s ARG 11 Ca 0.00 1.77 -0.35 0.00 0.00 0.00 0.00 55.73 57.15 2k6q s ARG 11 Cb 0.00 -3.84 -0.15 0.00 0.00 0.00 0.00 34.95 30.96 2k6q s ARG 11 CO 0.00 -0.78 1.49 -1.13 0.00 0.00 0.00 175.30 174.87 2k6q n SER 12 N 6.86 2.48 -0.08 0.23 3.41 -1.26 -4.56 113.62 120.70 2k6q n SER 12 Ca 0.15 1.10 -0.11 0.00 -0.26 0.00 0.00 58.87 59.75 2k6q n SER 12 Cb 0.44 -1.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.00 2k6q n SER 12 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k6q h PHE 13 N 5.45 -1.26 -0.08 7.33 3.57 -1.86 0.89 116.94 130.97 2k6q h PHE 13 Ca -0.46 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.12 2k6q h PHE 13 Cb 1.29 0.59 -0.00 0.00 2.79 0.00 0.00 35.95 40.61 2k6q h PHE 13 CO 0.62 -0.38 0.41 1.05 -2.23 0.00 0.00 178.31 177.79 2k6q h GLU 14 N -0.33 0.00 0.00 1.11 4.11 -1.97 1.31 114.58 118.82 2k6q h GLU 14 Ca 0.05 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.25 2k6q h GLU 14 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2k6q h GLU 14 CO -0.42 0.00 -1.27 0.37 0.07 0.00 0.00 179.01 177.76 2k6q h GLN 15 N 0.00 0.00 0.00 1.06 4.15 0.23 -3.06 115.11 117.49 2k6q h GLN 15 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 2k6q h GLN 15 Cb 0.86 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 2k6q h GLN 15 CO -0.00 0.65 -1.04 -0.09 -1.93 0.00 0.00 178.83 176.42 2k6q h ARG 16 N 0.00 0.00 -0.01 1.69 2.43 0.54 -3.33 114.38 115.69 2k6q h ARG 16 Ca -0.14 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.79 2k6q h ARG 16 Cb 1.80 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.36 2k6q h ARG 16 CO 0.09 0.09 -0.96 -0.39 -1.51 0.00 0.00 179.97 177.29 2k6q h VAL 17 N 0.00 1.34 0.00 0.20 -1.51 0.32 -3.27 116.25 113.33 2k6q h VAL 17 Ca -0.04 -2.33 0.03 0.00 -1.23 0.00 0.00 66.70 63.13 2k6q h VAL 17 Cb 1.16 2.36 -0.04 0.00 -2.13 0.00 0.00 31.29 32.64 2k6q h VAL 17 CO 0.01 0.71 -0.19 -0.08 -1.23 0.00 0.00 177.57 176.79 2k6q h GLU 18 N 0.32 -0.30 -0.75 5.19 4.57 -1.64 -2.19 114.58 119.78 2k6q h GLU 18 Ca -0.09 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2k6q h GLU 18 Cb 1.60 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 30.12 2k6q h GLU 18 CO 0.18 -0.20 -0.32 0.22 -1.18 0.00 0.00 179.01 177.71 2k6q h ASP 19 N -0.31 -1.14 -0.79 1.04 -0.00 -1.68 0.81 116.42 114.36 2k6q h ASP 19 Ca 0.06 0.25 0.19 0.00 -0.00 0.00 0.00 57.03 57.53 2k6q h ASP 19 Cb 0.38 0.61 -0.13 0.00 -0.00 0.00 0.00 39.33 40.19 2k6q h ASP 19 CO -0.18 -0.29 0.15 0.58 -0.00 0.00 0.00 179.24 179.51 2k6q h VAL 20 N -0.08 0.41 -1.10 2.25 2.07 -1.46 0.64 116.25 118.98 2k6q h VAL 20 Ca 0.30 -0.07 0.35 0.00 0.82 0.00 0.00 66.70 68.10 2k6q h VAL 20 Cb 0.57 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 30.38 2k6q h VAL 20 CO -0.80 0.04 0.67 -0.09 0.02 0.00 0.00 177.57 177.41 2k6q h ARG 21 N 0.21 0.24 0.41 1.57 2.43 0.99 0.58 114.38 120.80 2k6q h ARG 21 Ca 0.46 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 2k6q h ARG 21 Cb 0.84 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2k6q h ARG 21 CO -0.60 0.16 -0.20 -0.07 -1.51 0.00 0.00 179.97 177.76 2k6q h LEU 22 N 0.25 -0.46 -1.70 3.80 3.38 0.42 -2.14 115.31 118.85 2k6q h LEU 22 Ca 0.74 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.86 2k6q h LEU 22 Cb 1.95 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 2k6q h LEU 22 CO -0.51 -0.02 0.68 -0.29 0.09 0.00 0.00 178.44 178.39 2k6q h ILE 23 N -1.12 0.25 0.05 1.22 6.09 -0.47 1.68 117.51 125.20 2k6q h ILE 23 Ca -0.06 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.19 2k6q h ILE 23 Cb 0.46 0.45 0.01 0.00 0.47 0.00 0.00 36.82 38.21 2k6q h ILE 23 CO 0.09 0.00 -1.06 0.03 -3.07 0.00 0.00 178.15 174.14 2k6q h ARG 24 N 0.00 0.39 0.00 2.19 2.47 0.18 1.45 114.38 121.05 2k6q h ARG 24 Ca 0.29 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2k6q h ARG 24 Cb 1.65 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 30.12 2k6q h ARG 24 CO -0.00 1.17 -0.59 -0.85 0.56 0.00 0.00 179.97 180.25 2k6q n GLU 25 N -3.69 0.12 -0.01 0.04 -0.00 0.47 -2.25 120.64 115.33 2k6q n GLU 25 Ca -0.08 0.03 0.05 0.00 -0.00 0.00 0.00 57.16 57.16 2k6q n GLU 25 Cb 0.91 -1.57 -0.09 0.00 -0.00 0.00 0.00 31.44 30.68 2k6q n GLU 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2k6q n GLN 26 N -1.74 0.47 -2.78 3.44 6.02 0.41 -4.82 117.38 118.38 2k6q n GLN 26 Ca 0.04 -0.10 -0.07 0.00 -0.01 0.00 0.00 57.00 56.86 2k6q n GLN 26 Cb 0.38 -1.29 0.03 0.00 1.02 0.00 0.00 30.24 30.38 2k6q n GLN 26 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k6q n HIS 27 N -1.95 -3.40 0.13 1.08 8.25 0.49 -4.98 115.22 114.84 2k6q n HIS 27 Ca -0.03 -1.69 -0.00 0.00 -0.26 0.00 0.00 57.72 55.73 2k6q n HIS 27 Cb 0.35 1.45 0.13 0.00 1.12 0.00 0.00 29.99 33.03 2k6q n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2k6q h PRO 28 N 4.42 0.00 -0.81 -0.41 0.13 -1.46 -2.92 132.00 130.95 2k6q h PRO 28 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2k6q h PRO 28 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2k6q h PRO 28 CO 0.21 0.63 0.01 0.25 -0.23 0.00 0.00 178.00 178.88 2k6q n THR 29 N -3.56 1.33 -4.33 1.56 -2.24 -1.26 -4.83 114.28 100.95 2k6q n THR 29 Ca -0.00 -0.67 -0.22 0.00 -2.27 0.00 0.00 64.05 60.89 2k6q n THR 29 Cb 0.68 -0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.82 1.04 -0.35 -0.78 -0.14 -1.10 -2.75 119.74 113.84 2k6q s LYS 30 Ca 0.26 -0.99 -0.15 0.00 -1.36 0.00 0.00 55.97 53.73 2k6q s LYS 30 Cb 0.20 -1.16 -0.01 0.00 -1.68 0.00 0.00 37.83 35.17 2k6q s LYS 30 CO 0.07 0.28 0.33 0.42 -0.76 0.00 0.00 175.35 175.69 2k6q s ILE 31 N -1.07 5.20 0.22 2.17 -1.09 0.89 -4.88 121.20 122.63 2k6q s ILE 31 Ca 0.03 -0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.10 2k6q s ILE 31 Cb -0.09 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 2k6q s ILE 31 CO 0.03 -0.09 1.10 -2.16 -1.23 0.00 0.00 174.94 172.59 2k6q s PRO 32 N 1.94 4.61 0.07 2.79 0.04 -1.26 -1.98 135.00 141.22 2k6q s PRO 32 Ca 0.10 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 2k6q s PRO 32 Cb -0.17 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2k6q s PRO 32 CO 0.11 0.13 0.02 0.14 0.04 0.00 0.00 177.00 177.44 2k6q s VAL 33 N -0.61 0.19 -0.34 -0.36 -7.23 -1.15 -3.07 120.40 107.82 2k6q s VAL 33 Ca 0.47 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2k6q s VAL 33 Cb -0.31 -1.60 0.12 0.00 0.56 0.00 0.00 36.38 35.15 2k6q s VAL 33 CO 0.37 -0.84 0.16 -0.63 -0.31 0.00 0.00 175.10 173.85 2k6q s ILE 34 N -3.94 0.60 -0.18 -0.62 -1.09 0.30 -3.22 121.20 113.06 2k6q s ILE 34 Ca 0.10 -1.55 -0.17 0.00 -2.23 0.00 0.00 60.65 56.80 2k6q s ILE 34 Cb 0.07 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 2k6q s ILE 34 CO -0.08 -0.80 0.45 -0.63 -1.23 0.00 0.00 174.94 172.65 2k6q s ILE 35 N 1.36 5.17 0.41 2.92 1.01 -0.72 -2.67 121.20 128.68 2k6q s ILE 35 Ca 0.13 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.67 2k6q s ILE 35 Cb -0.20 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2k6q s ILE 35 CO -0.17 0.25 0.04 -1.61 0.00 0.00 0.00 174.94 173.45 2k6q s GLU 36 N 1.20 1.93 0.03 2.79 8.01 -0.84 -4.45 118.70 127.38 2k6q s GLU 36 Ca 0.22 -2.14 -0.26 0.00 0.01 0.00 0.00 54.97 52.80 2k6q s GLU 36 Cb -0.15 -1.28 -0.05 0.00 -4.31 0.00 0.00 34.13 28.34 2k6q s GLU 36 CO 0.09 -0.22 0.82 -0.98 0.01 0.00 0.00 175.26 174.98 2k6q s ARG 37 N -3.80 4.53 0.32 1.61 1.70 -1.26 -2.64 118.95 119.41 2k6q s ARG 37 Ca 0.27 1.15 -0.29 0.00 -0.47 0.00 0.00 55.73 56.39 2k6q s ARG 37 Cb 0.07 -3.39 -0.12 0.00 -0.57 0.00 0.00 34.95 30.94 2k6q s ARG 37 CO 0.13 0.19 1.44 0.98 -1.08 0.00 0.00 175.30 176.96 2k6q n TYR 38 N 3.10 2.60 -1.56 5.89 4.19 -1.14 -4.80 117.16 125.45 2k6q n TYR 38 Ca -0.00 0.43 -0.28 0.00 3.31 0.00 0.00 57.90 61.36 2k6q n TYR 38 Cb 0.50 -2.50 -0.04 0.00 0.49 0.00 0.00 39.34 37.79 2k6q n TYR 38 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2k6q s LYS 39 N -1.34 1.90 0.00 2.98 -2.85 -1.26 0.26 119.74 119.43 2k6q s LYS 39 Ca 0.59 1.09 0.00 0.00 -1.00 0.00 0.00 55.97 56.65 2k6q s LYS 39 Cb -0.54 -4.66 0.00 0.00 -2.06 0.00 0.00 37.83 30.57 2k6q s LYS 39 CO 0.57 -3.72 0.00 0.41 0.10 0.00 0.00 175.35 172.72 2k6q n GLY 40 N 6.29 1.49 3.19 0.59 0.00 -1.26 -5.09 105.19 110.41 2k6q n GLY 40 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.02 2.33 -0.07 1.61 2.56 0.14 -4.87 118.70 120.39 2k6q s GLU 41 Ca 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 54.97 53.51 2k6q s GLU 41 Cb 0.00 -3.50 -0.07 0.00 2.00 0.00 0.00 34.13 32.56 2k6q s GLU 41 CO 0.00 -0.87 -0.01 0.36 -0.56 0.00 0.00 175.26 174.18 2k6q n LYS 42 N 4.70 1.89 0.00 4.30 -0.00 -1.26 -4.65 118.16 123.13 2k6q n LYS 42 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2k6q n LYS 42 Cb 0.43 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 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 -2.43 0.00 -1.46 -1.58 6.02 -1.26 -4.46 117.38 112.21 2k6q n GLN 43 Ca -0.12 0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 57.20 2k6q n GLN 43 Cb 0.69 -1.17 0.07 0.00 1.02 0.00 0.00 30.24 30.85 2k6q n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2k6q n LEU 44 N -1.95 3.11 -4.80 1.08 4.77 -1.26 -4.97 117.00 112.98 2k6q n LEU 44 Ca 0.00 0.71 -0.29 0.00 -0.03 0.00 0.00 56.01 56.40 2k6q n LEU 44 Cb 0.00 -1.36 0.11 0.00 -2.33 0.00 0.00 43.42 39.84 2k6q n LEU 44 CO 0.00 -2.17 0.71 -2.16 -1.33 0.00 0.00 177.39 172.44 2k6q s PRO 45 N -2.96 1.69 -0.38 3.23 0.04 -1.26 -4.98 135.00 130.38 2k6q s PRO 45 Ca 0.73 0.50 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 2k6q s PRO 45 Cb -0.38 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.30 2k6q s PRO 45 CO 0.50 -1.86 1.04 0.08 0.04 0.00 0.00 177.00 176.80 2k6q s VAL 46 N -3.20 4.45 0.40 -0.36 1.01 -1.26 -4.97 120.40 116.46 2k6q s VAL 46 Ca 0.62 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 2k6q s VAL 46 Cb -0.15 -4.44 -0.15 0.00 0.00 0.00 0.00 36.38 31.64 2k6q s VAL 46 CO 0.54 -0.65 0.14 -0.11 0.00 0.00 0.00 175.10 175.02 2k6q n LEU 47 N 7.11 -2.59 -0.34 3.92 -0.00 -1.26 -4.73 117.00 119.11 2k6q n LEU 47 Ca 0.10 0.83 0.22 0.00 -0.00 0.00 0.00 56.01 57.17 2k6q n LEU 47 Cb 0.48 -0.90 0.48 0.00 -0.00 0.00 0.00 43.42 43.48 2k6q n LEU 47 CO 0.62 -4.06 1.20 -0.78 -0.00 0.00 0.00 177.39 174.37 2k6q h ASP 48 N 0.38 0.50 -2.46 1.96 1.82 -1.93 -3.43 116.42 113.25 2k6q h ASP 48 Ca -0.37 0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.30 2k6q h ASP 48 Cb 1.44 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.47 2k6q h ASP 48 CO 0.48 0.05 0.04 2.29 -1.61 0.00 0.00 179.24 180.49 2k6q n LYS 49 N -4.74 0.50 -0.00 0.28 0.00 -1.26 -5.06 118.16 107.88 2k6q n LYS 49 Ca 0.27 -1.36 0.03 0.00 -0.00 0.00 0.00 58.31 57.26 2k6q n LYS 49 Cb 0.89 1.48 -0.05 0.00 -0.00 0.00 0.00 35.03 37.36 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 -0.30 0.00 -3.95 0.58 -1.04 -1.26 -4.88 114.28 103.42 2k6q n THR 50 Ca -0.02 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.05 61.43 2k6q n THR 50 Cb 0.32 0.56 -0.09 0.00 -1.82 0.00 0.00 70.33 69.30 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 -2.18 3.94 0.00 -2.82 1.02 -1.26 -1.76 119.74 116.68 2k6q s LYS 51 Ca -0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 2k6q s LYS 51 Cb 0.04 -3.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2k6q s LYS 51 CO 0.27 0.34 0.01 -0.06 -0.92 0.00 0.00 175.35 174.99 2k6q s PHE 52 N 0.19 0.07 -0.42 3.18 0.40 -1.20 -5.04 117.98 115.16 2k6q s PHE 52 Ca 0.06 -0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.16 2k6q s PHE 52 Cb -0.12 -0.05 0.08 0.00 0.51 0.00 0.00 43.02 43.44 2k6q s PHE 52 CO -0.00 -0.07 0.27 -0.51 0.70 0.00 0.00 175.22 175.60 2k6q s LEU 53 N -0.47 5.19 0.13 -0.37 1.43 -1.26 -2.94 118.68 120.38 2k6q s LEU 53 Ca -0.05 -1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 51.32 2k6q s LEU 53 Cb -0.03 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 2k6q s LEU 53 CO -0.00 -0.55 0.65 -0.69 0.23 0.00 0.00 176.35 175.99 2k6q s VAL 54 N 1.43 4.62 0.03 -1.59 1.01 -0.83 -4.87 120.40 120.18 2k6q s VAL 54 Ca 0.03 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 2k6q s VAL 54 Cb -0.23 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2k6q s VAL 54 CO 0.02 0.47 1.18 -2.16 0.00 0.00 0.00 175.10 174.61 2k6q s PRO 55 N -1.32 4.42 -0.35 2.72 0.04 -1.26 -0.08 135.00 139.17 2k6q s PRO 55 Ca 0.34 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2k6q s PRO 55 Cb -0.20 -3.41 -0.14 0.00 0.04 0.00 0.00 34.50 30.79 2k6q s PRO 55 CO 0.21 -0.28 3.27 -0.40 0.04 0.00 0.00 177.00 179.84 2k6q n ASP 56 N 4.23 6.06 -0.83 6.66 5.75 -1.11 -3.28 116.55 134.03 2k6q n ASP 56 Ca 0.09 -2.72 -0.03 0.00 -0.01 0.00 0.00 54.79 52.13 2k6q n ASP 56 Cb 0.47 -1.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.15 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 2.13 0.00 -2.74 2.11 1.44 -1.26 -4.98 115.22 111.92 2k6q n HIS 57 Ca 0.49 -0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 2k6q n HIS 57 Cb 0.72 0.29 0.00 0.00 0.12 0.00 0.00 29.99 31.12 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 0.06 0.00 -4.36 0.61 0.24 -1.21 -5.14 118.33 108.53 2k6q n VAL 58 Ca -0.12 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.93 2k6q n VAL 58 Cb 0.68 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.93 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 1.21 2.99 0.60 -1.34 4.22 -1.26 -3.70 114.94 117.65 2k6q s ASN 59 Ca 0.00 -0.78 0.28 0.00 -2.14 0.00 0.00 52.86 50.22 2k6q s ASN 59 Cb 0.00 -0.19 1.12 0.00 1.28 0.00 0.00 41.25 43.46 2k6q s ASN 59 CO 0.00 0.08 1.49 0.00 -2.04 0.00 0.00 177.10 176.63 2k6q h MET 60 N 3.64 0.00 0.34 3.55 -0.00 -1.79 0.24 114.93 120.90 2k6q h MET 60 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.23 2k6q h MET 60 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.76 2k6q h MET 60 CO 0.44 0.00 -0.37 1.03 -0.00 0.00 0.00 176.91 178.01 2k6q h SER 61 N 0.00 -1.02 -0.91 -0.10 0.87 -1.90 -2.28 113.55 108.21 2k6q h SER 61 Ca 0.43 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 61.28 2k6q h SER 61 Cb 2.46 0.35 -0.17 0.00 -0.44 0.00 0.00 62.40 64.60 2k6q h SER 61 CO -0.00 -0.51 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.29 2k6q h GLU 62 N -0.74 0.01 -0.86 2.24 4.39 -0.92 0.89 114.58 119.58 2k6q h GLU 62 Ca -0.02 -0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.89 2k6q h GLU 62 Cb 0.68 -0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.18 2k6q h GLU 62 CO -0.09 0.01 0.03 1.25 -1.16 0.00 0.00 179.01 179.05 2k6q h LEU 63 N 0.01 -0.38 0.03 1.33 6.46 -1.49 0.56 115.31 121.83 2k6q h LEU 63 Ca 0.46 0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 58.45 2k6q h LEU 63 Cb 0.76 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2k6q h LEU 63 CO -0.91 -0.24 -0.01 0.40 -0.62 0.00 0.00 178.44 177.06 2k6q h ILE 64 N 0.08 1.01 -1.01 4.05 1.08 0.86 0.20 117.51 123.78 2k6q h ILE 64 Ca 0.49 -0.11 0.24 0.00 -0.39 0.00 0.00 64.86 65.09 2k6q h ILE 64 Cb 0.92 1.08 -0.10 0.00 -3.07 0.00 0.00 36.82 35.65 2k6q h ILE 64 CO -0.76 0.03 0.63 0.11 -0.69 0.00 0.00 178.15 177.46 2k6q h LYS 65 N -0.08 0.52 0.40 2.37 6.56 0.69 0.13 116.57 127.16 2k6q h LYS 65 Ca -0.00 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 2k6q h LYS 65 Cb 0.07 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2k6q h LYS 65 CO 0.01 0.34 -0.19 0.82 -2.06 0.00 0.00 179.45 178.37 2k6q h ILE 66 N 0.53 0.00 -0.09 1.86 1.08 0.11 -2.23 117.51 118.78 2k6q h ILE 66 Ca 0.59 -0.52 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 2k6q h ILE 66 Cb 1.26 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2k6q h ILE 66 CO -0.35 0.00 -0.07 0.40 -0.69 0.00 0.00 178.15 177.44 2k6q h ILE 67 N -1.06 0.00 -0.92 -0.67 1.08 0.34 0.79 117.51 117.07 2k6q h ILE 67 Ca -0.06 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.68 2k6q h ILE 67 Cb 0.41 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.01 2k6q h ILE 67 CO 0.09 0.00 0.25 0.08 -0.69 0.00 0.00 178.15 177.88 2k6q h ARG 68 N -0.01 0.16 -0.54 2.37 0.11 -0.91 1.58 114.38 117.12 2k6q h ARG 68 Ca 0.02 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2k6q h ARG 68 Cb 0.05 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.07 2k6q h ARG 68 CO -0.10 0.10 0.29 0.00 0.10 0.00 0.00 179.97 180.36 2k6q h ARG 69 N 0.16 0.75 -0.17 0.08 2.47 0.41 -0.79 114.38 117.28 2k6q h ARG 69 Ca 0.60 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 59.20 2k6q h ARG 69 Cb 1.28 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2k6q h ARG 69 CO -0.71 0.56 -0.06 0.00 0.56 0.00 0.00 179.97 180.32 2k6q h ARG 70 N 0.76 0.35 0.00 0.04 2.47 0.83 -2.30 114.38 116.52 2k6q h ARG 70 Ca 0.19 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2k6q h ARG 70 Cb 0.04 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2k6q h ARG 70 CO -0.03 0.64 0.00 1.28 0.56 0.00 0.00 179.97 182.42 2k6q n LEU 71 N -4.63 0.50 -4.38 3.04 4.77 0.05 -4.84 117.00 111.51 2k6q n LEU 71 Ca -0.05 0.66 -0.36 0.00 -0.03 0.00 0.00 56.01 56.23 2k6q n LEU 71 Cb 0.29 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2k6q n LEU 71 CO 0.38 -0.62 -0.30 0.00 -1.33 0.00 0.00 177.39 175.52 2k6q n GLN 72 N -2.09 -1.20 -1.02 3.23 10.64 -0.34 -4.90 117.38 121.70 2k6q n GLN 72 Ca 0.01 0.16 -0.18 0.00 -1.83 0.00 0.00 57.00 55.15 2k6q n GLN 72 Cb 0.15 -4.23 0.14 0.00 -0.86 0.00 0.00 30.24 25.43 2k6q n GLN 72 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2k6q n LEU 73 N -4.35 0.00 0.00 2.61 4.77 -1.24 -5.09 117.00 113.71 2k6q n LEU 73 Ca -0.11 -0.85 -0.13 0.00 -0.03 0.00 0.00 56.01 54.88 2k6q n LEU 73 Cb 0.58 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2k6q n LEU 73 CO 0.89 -1.28 0.05 -3.20 -1.33 0.00 0.00 177.39 172.52 2k6q n ASN 74 N -3.72 1.82 0.11 -1.43 2.85 -1.26 -4.99 115.26 108.63 2k6q n ASN 74 Ca 0.10 -1.95 0.13 0.00 -0.11 0.00 0.00 54.58 52.75 2k6q n ASN 74 Cb 0.36 -0.04 0.41 0.00 1.24 0.00 0.00 39.78 41.75 2k6q n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k6q n ALA 75 N -2.44 2.23 0.08 5.20 0.00 -1.26 -2.78 120.51 121.54 2k6q n ALA 75 Ca -0.09 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.37 2k6q n ALA 75 Cb 0.32 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 2k6q n ALA 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k6q h ASN 76 N 0.00 0.00 -3.39 0.00 -0.26 -2.05 -3.44 115.58 106.44 2k6q h ASN 76 Ca 0.00 0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 55.14 2k6q h ASN 76 Cb 0.72 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 37.88 2k6q h ASN 76 CO 0.00 0.46 0.27 -1.58 -1.06 0.00 0.00 177.43 175.53 2k6q s GLN 77 N -3.00 4.16 0.08 0.81 2.00 -1.12 -5.04 119.66 117.55 2k6q s GLN 77 Ca -0.00 0.71 -0.20 0.00 -2.00 0.00 0.00 55.36 53.87 2k6q s GLN 77 Cb 0.08 -3.64 -0.07 0.00 0.80 0.00 0.00 33.01 30.19 2k6q s GLN 77 CO 0.79 -0.42 0.60 0.00 -0.50 0.00 0.00 175.29 175.76 2k6q s ALA 78 N 2.53 3.56 -0.01 1.58 0.00 -1.26 -4.58 121.76 123.57 2k6q s ALA 78 Ca 0.30 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2k6q s ALA 78 Cb -0.15 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.28 2k6q s ALA 78 CO 0.08 0.36 0.02 0.12 0.00 0.00 0.00 175.76 176.34 2k6q s PHE 79 N -1.01 0.02 -0.07 0.00 5.36 -1.26 -4.11 117.98 116.92 2k6q s PHE 79 Ca 0.30 0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 56.31 2k6q s PHE 79 Cb -0.20 -0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.39 2k6q s PHE 79 CO 0.20 -0.05 0.14 -0.06 -1.46 0.00 0.00 175.22 173.99 2k6q s PHE 80 N 0.58 -0.16 -0.44 10.12 0.08 0.01 -4.95 117.98 123.22 2k6q s PHE 80 Ca -0.05 0.49 -0.19 0.00 0.12 0.00 0.00 56.93 57.30 2k6q s PHE 80 Cb -0.07 -0.11 0.03 0.00 -0.57 0.00 0.00 43.02 42.29 2k6q s PHE 80 CO -0.02 -0.18 0.56 -1.17 -0.10 0.00 0.00 175.22 174.31 2k6q s LEU 81 N 1.32 4.69 -0.42 -0.37 2.96 -1.26 -1.88 118.68 123.71 2k6q s LEU 81 Ca -0.08 -0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 53.05 2k6q s LEU 81 Cb -0.12 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.03 2k6q s LEU 81 CO -0.06 -0.71 0.95 -0.76 -1.32 0.00 0.00 176.35 174.45 2k6q s LEU 82 N 2.53 3.96 -0.43 -0.68 2.01 0.37 -4.15 118.68 122.28 2k6q s LEU 82 Ca 0.18 0.35 -0.28 0.00 0.01 0.00 0.00 54.13 54.39 2k6q s LEU 82 Cb -0.16 -3.26 0.03 0.00 0.01 0.00 0.00 46.19 42.80 2k6q s LEU 82 CO 0.16 -0.99 1.06 -0.69 1.01 0.00 0.00 176.35 176.90 2k6q s VAL 83 N 3.72 4.35 -0.19 -1.59 1.01 0.44 -0.46 120.40 127.67 2k6q s VAL 83 Ca 0.39 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2k6q s VAL 83 Cb -0.11 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2k6q s VAL 83 CO 0.24 -0.83 0.00 0.59 0.00 0.00 0.00 175.10 175.09 2k6q n ASN 84 N 7.43 -5.01 0.00 3.32 3.02 -0.83 -0.78 115.26 122.42 2k6q n ASN 84 Ca 0.10 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2k6q n ASN 84 Cb 0.48 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.99 2k6q n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k6q n GLY 85 N -0.39 0.99 3.03 7.41 0.00 -1.19 -5.00 105.19 110.04 2k6q n GLY 85 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 1.49 1.23 1.61 -3.43 0.04 -4.97 115.29 109.26 2k6q s HIS 86 Ca 0.00 -0.55 -0.16 0.00 -0.80 0.00 0.00 55.06 53.55 2k6q s HIS 86 Cb 0.00 -1.09 0.27 0.00 -1.43 0.00 0.00 32.58 30.33 2k6q s HIS 86 CO 0.00 -0.28 0.72 -1.13 -2.00 0.00 0.00 174.74 172.05 2k6q n SER 87 N 3.80 -2.49 -2.04 7.38 3.41 -1.26 0.17 113.62 122.58 2k6q n SER 87 Ca -0.23 -0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 57.85 2k6q n SER 87 Cb 0.52 -1.11 0.03 0.00 -0.26 0.00 0.00 64.21 63.39 2k6q n SER 87 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2k6q n MET 88 N -4.35 3.35 -0.68 4.33 0.00 -1.26 -4.61 117.12 113.89 2k6q n MET 88 Ca 0.04 -4.07 0.52 0.00 0.00 0.00 0.00 57.70 54.19 2k6q n MET 88 Cb 0.56 -2.18 0.80 0.00 0.00 0.00 0.00 33.22 32.40 2k6q n MET 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2k6q n VAL 89 N -0.71 -0.02 -3.90 3.17 0.31 -1.26 -2.89 118.33 113.03 2k6q n VAL 89 Ca 0.39 1.49 -0.34 0.00 -0.01 0.00 0.00 64.34 65.87 2k6q n VAL 89 Cb 0.94 -2.48 -0.13 0.00 -0.91 0.00 0.00 33.84 31.26 2k6q n VAL 89 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2k6q s SER 90 N -3.90 4.98 -0.76 4.52 1.04 -1.26 -5.03 113.70 113.28 2k6q s SER 90 Ca -0.05 -1.90 -0.07 0.00 0.48 0.00 0.00 55.95 54.41 2k6q s SER 90 Cb 0.27 -1.72 0.20 0.00 0.10 0.00 0.00 66.02 64.86 2k6q s SER 90 CO 0.87 -0.42 0.64 0.54 0.98 0.00 0.00 173.24 175.86 2k6q s VAL 91 N 1.08 4.63 -0.04 5.02 0.11 -1.14 -4.75 120.40 125.30 2k6q s VAL 91 Ca 0.06 -2.92 0.06 0.00 -2.93 0.00 0.00 61.98 56.24 2k6q s VAL 91 Cb -0.21 -3.91 0.09 0.00 -1.53 0.00 0.00 36.38 30.82 2k6q s VAL 91 CO -0.05 -0.98 0.96 -0.24 -3.33 0.00 0.00 175.10 171.46 2k6q n SER 92 N 3.47 1.51 -4.25 3.54 2.88 -1.26 -4.88 113.62 114.64 2k6q n SER 92 Ca 0.13 -2.16 -0.26 0.00 -1.33 0.00 0.00 58.87 55.25 2k6q n SER 92 Cb 0.41 -0.16 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.28 1.65 0.30 2.46 2.01 -1.26 -5.10 115.64 114.42 2k6q s THR 93 Ca 0.10 -1.16 -0.28 0.00 0.31 0.00 0.00 61.69 60.65 2k6q s THR 93 Cb 0.09 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.07 2k6q s THR 93 CO 0.01 0.23 1.08 -2.16 -0.69 0.00 0.00 174.62 173.09 2k6q s PRO 94 N -1.10 4.56 0.63 4.92 0.04 -1.26 -2.72 135.00 140.08 2k6q s PRO 94 Ca 0.07 1.72 0.27 0.00 0.04 0.00 0.00 61.00 63.11 2k6q s PRO 94 Cb -0.09 -3.07 1.44 0.00 0.04 0.00 0.00 34.50 32.83 2k6q s PRO 94 CO 0.01 0.17 1.83 0.97 0.04 0.00 0.00 177.00 180.02 2k6q h ILE 95 N 2.92 0.16 -0.33 0.56 6.09 -1.82 0.93 117.51 126.02 2k6q h ILE 95 Ca -0.47 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.88 2k6q h ILE 95 Cb 1.21 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 2k6q h ILE 95 CO 0.66 0.00 -0.36 0.77 -3.07 0.00 0.00 178.15 176.15 2k6q h SER 96 N 0.00 0.81 0.00 2.19 4.64 -1.88 -2.43 113.55 116.88 2k6q h SER 96 Ca 0.11 -0.35 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 2k6q h SER 96 Cb 1.04 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 2k6q h SER 96 CO -0.00 1.08 -0.74 -0.33 -0.87 0.00 0.00 176.83 175.98 2k6q h GLU 97 N 0.64 0.00 -1.27 4.77 4.39 0.32 -2.88 114.58 120.55 2k6q h GLU 97 Ca 0.06 0.00 0.38 0.00 0.34 0.00 0.00 59.36 60.14 2k6q h GLU 97 Cb 0.90 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.45 2k6q h GLU 97 CO 0.08 0.80 0.84 0.28 -1.16 0.00 0.00 179.01 179.86 2k6q h VAL 98 N -1.00 0.27 0.10 3.13 2.07 -0.60 1.57 116.25 121.79 2k6q h VAL 98 Ca -0.19 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 67.01 2k6q h VAL 98 Cb 1.03 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2k6q h VAL 98 CO -0.11 0.03 -1.27 0.22 0.02 0.00 0.00 177.57 176.45 2k6q h TYR 99 N 0.16 0.38 0.00 1.57 5.03 -1.56 -2.59 116.97 119.96 2k6q h TYR 99 Ca 0.73 -0.28 0.00 0.00 2.58 0.00 0.00 58.73 61.76 2k6q h TYR 99 Cb 2.31 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 40.57 2k6q h TYR 99 CO -0.00 1.24 0.00 -0.85 -1.32 0.00 0.00 178.16 177.23 2k6q n GLU 100 N -3.47 0.57 -0.01 1.82 0.28 0.48 0.98 120.64 121.29 2k6q n GLU 100 Ca -0.09 0.01 0.02 0.00 -0.16 0.00 0.00 57.16 56.94 2k6q n GLU 100 Cb 1.01 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.41 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 -1.20 1.50 0.01 -1.84 7.64 0.21 -4.76 113.62 115.18 2k6q n SER 101 Ca 0.16 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2k6q n SER 101 Cb 0.19 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.16 0.00 -0.94 1.43 -0.58 -0.98 -5.03 120.64 114.69 2k6q n GLU 102 Ca 0.03 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.45 2k6q n GLU 102 Cb 0.14 -0.24 0.02 0.00 -0.57 0.00 0.00 31.44 30.78 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 -2.80 0.00 -3.21 3.49 -4.01 0.28 -4.96 116.66 105.46 2k6q n ARG 103 Ca 0.00 0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.64 2k6q n ARG 103 Cb 0.23 -0.83 -0.02 0.00 -3.04 0.00 0.00 32.46 28.80 2k6q n ARG 103 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2k6q n ASP 104 N 2.49 2.41 -0.39 2.89 8.00 -1.26 -4.91 116.55 125.78 2k6q n ASP 104 Ca 0.03 -2.21 -0.05 0.00 0.71 0.00 0.00 54.79 53.27 2k6q n ASP 104 Cb 0.43 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 2k6q n ASP 104 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k6q n GLU 105 N -1.01 -0.31 -0.26 -1.24 1.02 -1.26 0.15 120.64 117.73 2k6q n GLU 105 Ca -0.07 1.49 0.07 0.00 -0.02 0.00 0.00 57.16 58.63 2k6q n GLU 105 Cb 0.37 -2.20 0.19 0.00 -0.02 0.00 0.00 31.44 29.78 2k6q n GLU 105 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2k6q h ASP 106 N 0.00 -0.17 0.00 1.62 2.03 -1.95 -3.45 116.42 114.50 2k6q h ASP 106 Ca 0.26 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 2k6q h ASP 106 Cb 0.51 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 2k6q h ASP 106 CO -0.95 -0.13 0.00 0.61 -1.03 0.00 0.00 179.24 177.74 2k6q n GLY 107 N -1.39 1.20 3.46 7.15 0.00 0.40 -4.79 105.19 111.22 2k6q n GLY 107 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 2.94 0.10 1.61 0.08 -1.26 -4.72 117.98 114.72 2k6q s PHE 108 Ca 0.00 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 2k6q s PHE 108 Cb 0.00 -1.89 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 2k6q s PHE 108 CO 0.00 -0.06 1.01 -0.51 -0.10 0.00 0.00 175.22 175.56 2k6q s LEU 109 N 0.23 4.46 -0.32 -0.37 2.01 -1.18 -4.07 118.68 119.44 2k6q s LEU 109 Ca -0.05 1.84 -0.01 0.00 0.01 0.00 0.00 54.13 55.91 2k6q s LEU 109 Cb -0.14 -3.59 0.07 0.00 0.01 0.00 0.00 46.19 42.53 2k6q s LEU 109 CO 0.04 -0.16 0.04 -0.31 1.01 0.00 0.00 176.35 176.97 2k6q s TYR 110 N 0.24 3.36 0.03 0.29 2.02 -1.26 0.11 117.35 122.15 2k6q s TYR 110 Ca 0.49 -2.07 0.03 0.00 -0.37 0.00 0.00 57.07 55.15 2k6q s TYR 110 Cb -0.24 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 2k6q s TYR 110 CO 0.30 -0.85 -0.09 -1.64 -1.57 0.00 0.00 175.55 171.71 2k6q s MET 111 N 1.20 0.59 -0.00 -0.62 -1.94 -1.09 -1.96 119.30 115.48 2k6q s MET 111 Ca -0.01 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.42 2k6q s MET 111 Cb -0.20 -0.47 -0.03 0.00 2.01 0.00 0.00 34.83 36.14 2k6q s MET 111 CO -0.02 0.11 -0.16 0.08 -0.01 0.00 0.00 175.02 175.02 2k6q s VAL 112 N -0.91 2.94 0.16 -6.03 1.01 0.39 -1.99 120.40 115.97 2k6q s VAL 112 Ca -0.04 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.07 2k6q s VAL 112 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2k6q s VAL 112 CO 0.00 0.45 -0.15 -0.72 0.00 0.00 0.00 175.10 174.69 2k6q s TYR 113 N -0.84 2.55 0.33 5.22 -0.85 -1.08 0.14 117.35 122.81 2k6q s TYR 113 Ca 0.13 -0.26 -0.18 0.00 -0.52 0.00 0.00 57.07 56.25 2k6q s TYR 113 Cb -0.11 -1.28 0.06 0.00 0.38 0.00 0.00 41.96 41.01 2k6q s TYR 113 CO 0.03 0.47 0.84 0.00 -1.52 0.00 0.00 175.55 175.37 2k6q s ALA 114 N -1.50 -0.98 -0.53 9.51 0.00 -0.79 -2.88 121.76 124.59 2k6q s ALA 114 Ca 0.22 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2k6q s ALA 114 Cb -0.09 0.70 0.50 0.00 0.00 0.00 0.00 23.12 24.23 2k6q s ALA 114 CO 0.12 -1.01 1.27 0.45 0.00 0.00 0.00 175.76 176.60 2k6q n SER 115 N -1.29 3.90 -3.74 0.00 2.88 -1.26 -0.81 113.62 113.29 2k6q n SER 115 Ca -0.07 -2.58 -0.14 0.00 -1.33 0.00 0.00 58.87 54.76 2k6q n SER 115 Cb 0.60 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 2k6q n SER 115 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2k6q s GLN 116 N -2.08 0.70 0.00 -1.46 0.74 -1.26 -4.62 119.66 111.68 2k6q s GLN 116 Ca 0.33 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.57 2k6q s GLN 116 Cb 0.26 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.68 2k6q s GLN 116 CO 0.10 -0.20 0.33 -1.91 -0.55 0.00 0.00 175.29 173.06 2k6q n GLU 117 N 1.22 0.26 -2.83 1.67 2.13 -1.26 -4.65 120.64 117.17 2k6q n GLU 117 Ca -0.21 -0.33 -0.17 0.00 0.66 0.00 0.00 57.16 57.12 2k6q n GLU 117 Cb 0.56 -0.81 -0.00 0.00 0.27 0.00 0.00 31.44 31.46 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 -0.13 1.05 -0.00 6.31 -2.24 -1.26 -4.77 114.28 113.25 2k6q n THR 118 Ca 0.00 -4.10 0.07 0.00 -2.27 0.00 0.00 64.05 57.75 2k6q n THR 118 Cb 0.05 -0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.03 0.24 0.00 4.78 -1.74 -1.26 -5.28 117.46 114.17 2k6q n PHE 119 Ca 0.21 0.07 0.00 0.00 -0.56 0.00 0.00 57.45 57.17 2k6q n PHE 119 Cb 0.70 -0.70 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2k6q n PHE 119 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61