#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 1.05 -0.08 4.33 0.00 -1.26 -5.08 119.30 118.27 2k6q s MET 1 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 55.69 54.96 2k6q s MET 1 Cb 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 34.83 35.11 2k6q s MET 1 CO 0.00 -0.40 0.85 -1.00 0.00 0.00 0.00 175.02 174.47 2k6q h PRO 2 N 2.56 -0.09 -5.19 3.16 0.13 -2.13 -3.44 132.00 127.01 2k6q h PRO 2 Ca -0.33 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.18 2k6q h PRO 2 Cb 1.24 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.20 2k6q h PRO 2 CO 0.44 0.50 -0.60 -1.54 -0.23 0.00 0.00 178.00 176.56 2k6q s SER 3 N -5.75 5.31 -0.17 1.44 1.04 -1.26 -5.08 113.70 109.23 2k6q s SER 3 Ca -0.14 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.02 2k6q s SER 3 Cb -0.00 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 2k6q s SER 3 CO 0.54 0.11 0.68 -0.70 0.98 0.00 0.00 173.24 174.85 2k6q s GLU 4 N 0.74 4.27 0.33 4.02 2.12 -1.26 -5.06 118.70 123.86 2k6q s GLU 4 Ca 0.02 0.73 -0.06 0.00 0.36 0.00 0.00 54.97 56.03 2k6q s GLU 4 Cb -0.14 -3.55 0.08 0.00 0.26 0.00 0.00 34.13 30.79 2k6q s GLU 4 CO 0.02 -0.19 0.25 1.63 -0.54 0.00 0.00 175.26 176.43 2k6q n LYS 5 N 4.83 -2.00 -4.06 4.30 5.02 -1.26 -5.04 118.16 119.95 2k6q n LYS 5 Ca -0.00 -0.41 -0.27 0.00 -2.02 0.00 0.00 58.31 55.60 2k6q n LYS 5 Cb 0.50 -0.43 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 2k6q n LYS 5 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k6q s THR 6 N -1.41 4.61 0.61 -0.18 -1.32 -1.26 -4.64 115.64 112.04 2k6q s THR 6 Ca 0.17 -0.95 0.26 0.00 -1.21 0.00 0.00 61.69 59.96 2k6q s THR 6 Cb -0.02 -3.32 0.35 0.00 -1.51 0.00 0.00 72.50 68.00 2k6q s THR 6 CO 0.14 -0.04 1.50 -0.26 -2.21 0.00 0.00 174.62 173.74 2k6q h PHE 7 N 2.61 0.00 0.22 9.09 -1.00 -1.95 2.40 116.94 128.31 2k6q h PHE 7 Ca -0.47 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 59.98 2k6q h PHE 7 Cb 1.19 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.78 2k6q h PHE 7 CO 0.58 0.00 -1.41 1.57 -1.61 0.00 0.00 178.31 177.44 2k6q h LYS 8 N 0.00 0.51 0.00 1.51 2.10 -1.93 -3.27 116.57 115.49 2k6q h LYS 8 Ca 0.34 -0.84 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2k6q h LYS 8 Cb 2.19 0.31 0.00 0.00 -0.90 0.00 0.00 32.23 33.83 2k6q h LYS 8 CO -0.00 1.40 -0.25 1.04 -2.00 0.00 0.00 179.45 179.63 2k6q n GLN 9 N -3.69 0.21 0.00 0.07 1.13 0.69 -4.68 117.38 111.11 2k6q n GLN 9 Ca -0.15 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 2k6q n GLN 9 Cb 1.08 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 30.29 2k6q n GLN 9 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2k6q n ARG 10 N -3.32 0.00 -1.62 -1.09 3.00 0.49 -4.38 116.66 109.74 2k6q n ARG 10 Ca -0.04 0.60 -0.48 0.00 -0.00 0.00 0.00 57.85 57.94 2k6q n ARG 10 Cb 0.13 -1.10 -0.04 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 -1.42 1.58 -2.40 -0.14 3.00 -1.23 -4.88 116.66 111.17 2k6q n ARG 11 Ca 0.00 0.57 -0.42 0.00 -0.01 0.00 0.00 57.85 57.98 2k6q n ARG 11 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 32.46 30.25 2k6q n ARG 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2k6q s SER 12 N 0.34 6.99 0.18 0.55 1.04 -1.26 -4.71 113.70 116.83 2k6q s SER 12 Ca 0.75 1.87 -0.20 0.00 0.48 0.00 0.00 55.95 58.85 2k6q s SER 12 Cb -0.78 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 62.89 2k6q s SER 12 CO 0.48 -0.64 1.39 0.33 0.98 0.00 0.00 173.24 175.78 2k6q n PHE 13 N 5.41 -0.13 -0.31 5.02 7.35 -1.26 0.19 117.46 133.73 2k6q n PHE 13 Ca 0.12 1.11 0.15 0.00 -0.76 0.00 0.00 57.45 58.07 2k6q n PHE 13 Cb 0.45 -0.74 0.34 0.00 0.35 0.00 0.00 39.48 39.89 2k6q n PHE 13 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2k6q h GLU 14 N 0.00 0.36 -0.31 -4.13 4.39 -1.98 0.53 114.58 113.43 2k6q h GLU 14 Ca 0.25 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.82 2k6q h GLU 14 Cb 0.47 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2k6q h GLU 14 CO -0.87 0.24 -0.23 1.96 -1.16 0.00 0.00 179.01 178.95 2k6q h GLN 15 N 0.37 0.71 0.00 2.33 1.08 0.16 0.23 115.11 120.00 2k6q h GLN 15 Ca 0.60 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 2k6q h GLN 15 Cb 1.19 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2k6q h GLN 15 CO -0.56 0.95 -0.11 0.00 -0.95 0.00 0.00 178.83 178.16 2k6q h ARG 16 N 0.47 0.00 0.18 1.46 3.08 0.27 -0.92 114.38 118.92 2k6q h ARG 16 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.76 2k6q h ARG 16 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.84 2k6q h ARG 16 CO 0.06 0.11 -1.71 0.28 -1.07 0.00 0.00 179.97 177.64 2k6q h VAL 17 N 0.00 0.98 -0.19 2.04 2.07 0.12 -3.28 116.25 117.99 2k6q h VAL 17 Ca -0.00 -2.56 0.03 0.00 0.82 0.00 0.00 66.70 64.99 2k6q h VAL 17 Cb 0.24 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 2k6q h VAL 17 CO 0.01 0.85 0.02 -0.08 0.02 0.00 0.00 177.57 178.40 2k6q h GLU 18 N 0.11 0.09 -0.51 1.57 4.81 0.08 0.41 114.58 121.13 2k6q h GLU 18 Ca -0.33 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.04 2k6q h GLU 18 Cb 2.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.43 2k6q h GLU 18 CO 0.18 0.06 0.36 0.22 -0.73 0.00 0.00 179.01 179.11 2k6q h ASP 19 N 0.09 0.05 0.95 1.04 1.82 -1.33 0.66 116.42 119.71 2k6q h ASP 19 Ca 0.09 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.57 2k6q h ASP 19 Cb 0.09 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2k6q h ASP 19 CO -0.13 0.03 -0.74 0.58 -1.61 0.00 0.00 179.24 177.37 2k6q h VAL 20 N 0.05 1.40 -0.65 2.25 2.07 -1.10 -2.61 116.25 117.67 2k6q h VAL 20 Ca 0.24 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.10 2k6q h VAL 20 Cb 0.90 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 2k6q h VAL 20 CO -0.02 0.72 0.31 -0.09 0.02 0.00 0.00 177.57 178.52 2k6q h ARG 21 N 0.00 0.93 0.17 1.57 2.43 0.23 0.31 114.38 120.02 2k6q h ARG 21 Ca -0.01 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2k6q h ARG 21 Cb 1.41 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2k6q h ARG 21 CO 0.10 0.72 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.12 2k6q h LEU 22 N 0.92 -0.20 -1.98 3.80 3.38 -1.40 -2.79 115.31 117.05 2k6q h LEU 22 Ca 0.23 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.13 2k6q h LEU 22 Cb 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k6q h LEU 22 CO -0.03 0.35 0.48 -0.29 0.09 0.00 0.00 178.44 179.04 2k6q h ILE 23 N -0.99 0.46 -0.07 1.22 6.09 -1.39 1.79 117.51 124.62 2k6q h ILE 23 Ca -0.02 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.31 2k6q h ILE 23 Cb 0.40 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 2k6q h ILE 23 CO 0.04 0.00 -0.63 0.03 -3.07 0.00 0.00 178.15 174.52 2k6q h ARG 24 N 0.00 0.25 -0.02 2.19 2.47 -0.36 1.40 114.38 120.31 2k6q h ARG 24 Ca 0.25 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2k6q h ARG 24 Cb 1.20 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 2k6q h ARG 24 CO -0.00 0.79 -0.43 -0.85 0.56 0.00 0.00 179.97 180.04 2k6q n GLU 25 N -3.85 1.33 -0.00 0.04 0.28 0.29 -3.02 120.64 115.70 2k6q n GLU 25 Ca -0.03 -1.03 0.04 0.00 -0.16 0.00 0.00 57.16 55.99 2k6q n GLU 25 Cb 0.64 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.99 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 0.04 1.13 -2.74 3.44 6.02 0.53 -4.81 117.38 120.99 2k6q n GLN 26 Ca 0.09 -0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 56.94 2k6q n GLN 26 Cb 0.46 -1.14 0.06 0.00 1.02 0.00 0.00 30.24 30.64 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 -1.67 -3.18 0.16 1.08 8.25 0.48 -4.98 115.22 115.36 2k6q n HIS 27 Ca -0.01 -1.77 0.03 0.00 -0.26 0.00 0.00 57.72 55.71 2k6q n HIS 27 Cb 0.21 1.56 0.20 0.00 1.12 0.00 0.00 29.99 33.08 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 3.81 0.00 -0.38 -0.41 0.13 -1.55 -2.80 132.00 130.80 2k6q h PRO 28 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2k6q h PRO 28 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2k6q h PRO 28 CO 0.28 0.48 0.00 0.25 -0.23 0.00 0.00 178.00 178.78 2k6q n THR 29 N -3.44 0.45 -4.42 1.56 -2.24 -1.26 -4.83 114.28 100.10 2k6q n THR 29 Ca 0.00 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 2k6q n THR 29 Cb 0.62 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.65 1.52 -0.28 -0.78 -0.14 -1.06 -2.40 119.74 114.96 2k6q s LYS 30 Ca 0.17 -1.76 -0.05 0.00 -1.36 0.00 0.00 55.97 52.96 2k6q s LYS 30 Cb 0.10 -1.13 0.01 0.00 -1.68 0.00 0.00 37.83 35.13 2k6q s LYS 30 CO 0.10 0.04 0.03 0.42 -0.76 0.00 0.00 175.35 175.18 2k6q s ILE 31 N -3.03 3.60 0.24 2.17 -1.09 0.10 -4.84 121.20 118.36 2k6q s ILE 31 Ca 0.29 -0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 57.63 2k6q s ILE 31 Cb 0.03 -2.84 -0.09 0.00 -1.58 0.00 0.00 42.46 37.99 2k6q s ILE 31 CO 0.11 0.13 1.09 -2.16 -1.23 0.00 0.00 174.94 172.89 2k6q s PRO 32 N 1.44 4.63 0.07 2.79 0.04 -1.26 -2.89 135.00 139.82 2k6q s PRO 32 Ca 0.02 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 2k6q s PRO 32 Cb -0.17 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2k6q s PRO 32 CO 0.00 0.17 0.09 0.14 0.04 0.00 0.00 177.00 177.45 2k6q s VAL 33 N -0.82 0.17 -0.35 -0.36 -7.23 -1.20 -3.07 120.40 107.53 2k6q s VAL 33 Ca 0.46 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2k6q s VAL 33 Cb -0.31 -1.34 0.12 0.00 0.56 0.00 0.00 36.38 35.41 2k6q s VAL 33 CO 0.38 -0.78 0.16 -0.63 -0.31 0.00 0.00 175.10 173.93 2k6q s ILE 34 N -3.69 0.87 -0.00 -0.62 -1.09 0.27 -3.29 121.20 113.65 2k6q s ILE 34 Ca 0.04 -1.75 -0.23 0.00 -2.23 0.00 0.00 60.65 56.49 2k6q s ILE 34 Cb 0.05 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.24 2k6q s ILE 34 CO -0.10 -0.79 0.68 -0.63 -1.23 0.00 0.00 174.94 172.87 2k6q s ILE 35 N 1.19 4.88 0.11 2.92 1.01 -0.99 -3.02 121.20 127.30 2k6q s ILE 35 Ca 0.13 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.23 2k6q s ILE 35 Cb -0.20 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2k6q s ILE 35 CO -0.15 0.36 -0.08 -1.61 0.00 0.00 0.00 174.94 173.46 2k6q s GLU 36 N 0.10 0.88 0.26 2.79 0.41 -0.89 -4.58 118.70 117.67 2k6q s GLU 36 Ca 0.35 -1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 53.31 2k6q s GLU 36 Cb -0.19 -0.38 -0.10 0.00 -1.78 0.00 0.00 34.13 31.69 2k6q s GLU 36 CO 0.19 0.03 1.28 -0.98 -0.49 0.00 0.00 175.26 175.29 2k6q s ARG 37 N -3.53 4.41 0.58 1.61 1.70 -1.26 -2.78 118.95 119.68 2k6q s ARG 37 Ca 0.11 2.08 -0.20 0.00 -0.47 0.00 0.00 55.73 57.26 2k6q s ARG 37 Cb 0.02 -3.14 -0.04 0.00 -0.57 0.00 0.00 34.95 31.22 2k6q s ARG 37 CO -0.02 -0.16 1.26 -0.47 -1.08 0.00 0.00 175.30 174.83 2k6q s TYR 38 N -0.58 2.34 -0.63 5.89 6.14 -1.04 -4.84 117.35 124.64 2k6q s TYR 38 Ca 0.52 1.47 -0.26 0.00 0.64 0.00 0.00 57.07 59.44 2k6q s TYR 38 Cb -0.37 -3.60 -0.08 0.00 0.42 0.00 0.00 41.96 38.33 2k6q s TYR 38 CO 0.44 -2.48 2.29 -1.59 0.64 0.00 0.00 175.55 174.86 2k6q s LYS 39 N -3.16 2.06 0.00 4.97 -2.85 -1.26 -0.25 119.74 119.25 2k6q s LYS 39 Ca 0.76 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 56.61 2k6q s LYS 39 Cb -0.34 -4.66 0.00 0.00 -2.06 0.00 0.00 37.83 30.77 2k6q s LYS 39 CO 0.38 -3.55 0.00 0.41 0.10 0.00 0.00 175.35 172.69 2k6q n GLY 40 N 6.27 1.54 3.61 0.59 0.00 -1.26 -5.07 105.19 110.87 2k6q n GLY 40 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.38 3.93 -0.03 1.61 -6.30 0.65 -4.83 118.70 113.35 2k6q s GLU 41 Ca 0.00 0.64 0.00 0.00 -2.50 0.00 0.00 54.97 53.11 2k6q s GLU 41 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 34.13 30.36 2k6q s GLU 41 CO 0.00 -0.80 -0.02 0.36 0.02 0.00 0.00 175.26 174.82 2k6q n LYS 42 N 6.48 0.19 0.00 4.30 -0.00 -1.26 -4.87 118.16 123.00 2k6q n LYS 42 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2k6q n LYS 42 Cb 0.48 -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 -1.68 -1.58 1.13 -1.26 -4.60 117.38 106.83 2k6q n GLN 43 Ca -0.05 0.15 -0.43 0.00 -1.94 0.00 0.00 57.00 54.73 2k6q n GLN 43 Cb 0.55 -0.88 -0.01 0.00 0.11 0.00 0.00 30.24 30.01 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 -0.52 3.20 -4.80 1.08 4.77 -1.26 -4.96 117.00 114.51 2k6q n LEU 44 Ca 0.00 1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 56.88 2k6q n LEU 44 Cb 0.00 -1.45 0.10 0.00 -2.33 0.00 0.00 43.42 39.74 2k6q n LEU 44 CO 0.00 -0.64 0.71 -2.16 -1.33 0.00 0.00 177.39 173.97 2k6q s PRO 45 N -1.70 1.94 -0.25 3.23 0.04 -1.26 -4.96 135.00 132.05 2k6q s PRO 45 Ca 0.57 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.91 2k6q s PRO 45 Cb -0.60 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 2k6q s PRO 45 CO 0.61 -1.71 1.54 0.08 0.04 0.00 0.00 177.00 177.56 2k6q s VAL 46 N -3.17 3.80 0.37 -0.36 1.01 -1.26 -4.92 120.40 115.86 2k6q s VAL 46 Ca 0.61 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.27 2k6q s VAL 46 Cb -0.14 -3.83 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 2k6q s VAL 46 CO 0.54 -0.36 0.15 -0.11 0.00 0.00 0.00 175.10 175.32 2k6q n LEU 47 N 8.34 -2.63 -0.23 3.92 -0.00 -1.26 -4.81 117.00 120.33 2k6q n LEU 47 Ca 0.18 0.85 -0.02 0.00 -0.00 0.00 0.00 56.01 57.02 2k6q n LEU 47 Cb 0.46 -0.89 0.09 0.00 -0.00 0.00 0.00 43.42 43.08 2k6q n LEU 47 CO 0.65 -4.01 1.10 0.44 -0.00 0.00 0.00 177.39 175.57 2k6q h ASP 48 N 0.42 0.60 -4.61 1.96 5.19 -1.91 -3.44 116.42 114.61 2k6q h ASP 48 Ca -0.35 0.02 -0.48 0.00 -0.62 0.00 0.00 57.03 55.60 2k6q h ASP 48 Cb 1.44 -0.10 -0.13 0.00 0.18 0.00 0.00 39.33 40.71 2k6q h ASP 48 CO 0.48 0.39 -0.52 -0.54 -3.12 0.00 0.00 179.24 175.93 2k6q s LYS 49 N -6.10 1.76 -0.01 3.56 3.01 -1.26 -5.06 119.74 115.63 2k6q s LYS 49 Ca -0.13 -2.03 0.07 0.00 -1.01 0.00 0.00 55.97 52.87 2k6q s LYS 49 Cb 0.16 -0.12 -0.11 0.00 -1.01 0.00 0.00 37.83 36.75 2k6q s LYS 49 CO 0.76 -0.53 0.17 2.41 0.51 0.00 0.00 175.35 178.67 2k6q n THR 50 N -0.70 0.00 -4.22 2.17 -1.04 -1.26 -4.88 114.28 104.35 2k6q n THR 50 Ca 0.01 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 2k6q n THR 50 Cb 0.64 0.41 -0.10 0.00 -1.82 0.00 0.00 70.33 69.46 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 -2.40 3.58 -0.00 -2.82 1.02 -1.26 -2.36 119.74 115.50 2k6q s LYS 51 Ca -0.02 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 2k6q s LYS 51 Cb 0.05 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 2k6q s LYS 51 CO 0.29 0.41 0.01 -0.06 -0.92 0.00 0.00 175.35 175.08 2k6q s PHE 52 N -0.06 0.00 -0.44 3.18 0.40 -1.21 -5.04 117.98 114.81 2k6q s PHE 52 Ca 0.04 0.03 -0.10 0.00 -0.60 0.00 0.00 56.93 56.31 2k6q s PHE 52 Cb -0.13 -0.05 0.09 0.00 0.51 0.00 0.00 43.02 43.45 2k6q s PHE 52 CO 0.02 -0.02 0.30 -0.51 0.70 0.00 0.00 175.22 175.71 2k6q s LEU 53 N 0.21 5.39 0.03 -0.37 1.43 -1.26 -3.28 118.68 120.83 2k6q s LEU 53 Ca -0.02 -1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 51.35 2k6q s LEU 53 Cb -0.03 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 2k6q s LEU 53 CO -0.01 -0.60 0.34 0.54 0.23 0.00 0.00 176.35 176.85 2k6q s VAL 54 N 1.42 5.18 0.06 -1.59 0.11 -1.14 -4.91 120.40 119.53 2k6q s VAL 54 Ca 0.04 0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 59.19 2k6q s VAL 54 Cb -0.24 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 30.94 2k6q s VAL 54 CO 0.01 0.38 1.17 -2.16 -3.33 0.00 0.00 175.10 171.17 2k6q s PRO 55 N -1.68 4.46 -0.50 1.54 0.04 -1.26 0.03 135.00 137.62 2k6q s PRO 55 Ca 0.29 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 2k6q s PRO 55 Cb -0.14 -3.36 -0.21 0.00 0.04 0.00 0.00 34.50 30.84 2k6q s PRO 55 CO 0.16 -0.21 3.36 -0.40 0.04 0.00 0.00 177.00 179.94 2k6q n ASP 56 N 3.84 6.22 -0.65 6.66 3.85 -1.01 -3.07 116.55 132.40 2k6q n ASP 56 Ca 0.08 -2.49 -0.01 0.00 -0.71 0.00 0.00 54.79 51.66 2k6q n ASP 56 Cb 0.47 -1.44 -0.01 0.00 -1.35 0.00 0.00 41.12 38.79 2k6q n ASP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2k6q n HIS 57 N 2.86 0.00 -3.88 2.11 1.44 -1.26 -4.94 115.22 111.55 2k6q n HIS 57 Ca 0.53 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 2k6q n HIS 57 Cb 0.69 0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.99 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 0.03 0.00 -4.14 0.61 0.24 -1.17 -5.13 118.33 108.77 2k6q n VAL 58 Ca -0.04 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.04 2k6q n VAL 58 Cb 0.62 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 2k6q n VAL 58 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k6q s ASN 59 N -0.75 5.03 0.53 -1.34 0.01 -1.26 -3.41 114.94 113.75 2k6q s ASN 59 Ca 0.00 -0.49 0.20 0.00 -0.71 0.00 0.00 52.86 51.85 2k6q s ASN 59 Cb 0.00 -1.06 1.33 0.00 0.41 0.00 0.00 41.25 41.93 2k6q s ASN 59 CO 0.00 -0.10 2.10 0.00 -1.51 0.00 0.00 177.10 177.59 2k6q h MET 60 N 1.61 0.00 -0.46 -0.60 -0.00 -1.84 -0.98 114.93 112.66 2k6q h MET 60 Ca -0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.17 2k6q h MET 60 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.83 2k6q h MET 60 CO 0.61 0.00 -0.01 1.03 -0.00 0.00 0.00 176.91 178.54 2k6q h SER 61 N 0.00 0.80 -0.77 -0.10 0.87 -1.93 -2.53 113.55 109.89 2k6q h SER 61 Ca 0.09 -0.31 0.19 0.00 -1.23 0.00 0.00 61.79 60.52 2k6q h SER 61 Cb 0.35 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2k6q h SER 61 CO -0.00 0.92 0.53 -0.33 -0.53 0.00 0.00 176.83 177.41 2k6q h GLU 62 N 0.66 0.23 0.00 2.24 5.08 -1.57 0.80 114.58 122.01 2k6q h GLU 62 Ca 0.13 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2k6q h GLU 62 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2k6q h GLU 62 CO 0.03 0.15 -0.24 1.25 -1.00 0.00 0.00 179.01 179.19 2k6q h LEU 63 N 0.23 0.00 -0.01 1.33 5.85 -1.39 -2.58 115.31 118.74 2k6q h LEU 63 Ca 0.38 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 2k6q h LEU 63 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k6q h LEU 63 CO -0.09 0.24 -0.09 0.40 -0.34 0.00 0.00 178.44 178.57 2k6q h ILE 64 N 0.00 1.54 -0.53 4.05 2.04 0.57 0.16 117.51 125.35 2k6q h ILE 64 Ca -0.00 -1.73 0.15 0.00 1.00 0.00 0.00 64.86 64.28 2k6q h ILE 64 Cb 0.44 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 2k6q h ILE 64 CO 0.03 0.46 0.59 0.11 0.00 0.00 0.00 178.15 179.34 2k6q h LYS 65 N -0.59 0.00 0.00 2.37 1.57 -1.02 0.17 116.57 119.08 2k6q h LYS 65 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2k6q h LYS 65 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 2k6q h LYS 65 CO 0.02 0.00 -0.87 -0.89 -0.57 0.00 0.00 179.45 177.14 2k6q n ILE 66 N -3.62 1.47 -0.32 1.86 5.41 -1.00 -3.50 119.36 119.67 2k6q n ILE 66 Ca 0.10 0.10 0.13 0.00 1.00 0.00 0.00 62.75 64.08 2k6q n ILE 66 Cb 0.79 -2.23 0.27 0.00 -0.71 0.00 0.00 39.64 37.76 2k6q n ILE 66 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2k6q h ILE 67 N -1.00 0.12 -0.68 1.39 1.08 0.65 1.34 117.51 120.40 2k6q h ILE 67 Ca -0.17 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2k6q h ILE 67 Cb 0.88 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2k6q h ILE 67 CO -0.10 0.01 0.43 0.08 -0.69 0.00 0.00 178.15 177.88 2k6q h ARG 68 N 0.05 0.91 -0.04 2.37 0.11 -0.89 -0.59 114.38 116.30 2k6q h ARG 68 Ca 0.56 -0.07 0.01 0.00 0.10 0.00 0.00 59.98 60.58 2k6q h ARG 68 Cb 1.14 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.02 2k6q h ARG 68 CO -0.84 0.63 0.05 0.00 0.10 0.00 0.00 179.97 179.91 2k6q h ARG 69 N 0.93 0.00 0.10 0.08 2.47 0.17 -1.21 114.38 116.91 2k6q h ARG 69 Ca 0.25 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.77 2k6q h ARG 69 Cb -0.06 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2k6q h ARG 69 CO -0.05 0.00 -0.82 0.00 0.56 0.00 0.00 179.97 179.66 2k6q h ARG 70 N 0.00 0.39 0.00 0.04 -0.00 0.40 -3.11 114.38 112.10 2k6q h ARG 70 Ca 0.02 -0.55 0.00 0.00 -0.50 0.00 0.00 59.98 58.95 2k6q h ARG 70 Cb 0.12 0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.27 2k6q h ARG 70 CO -0.00 1.22 0.00 1.28 0.00 0.00 0.00 179.97 182.47 2k6q n LEU 71 N -4.10 0.13 -4.14 3.04 4.77 -0.57 -4.84 117.00 111.29 2k6q n LEU 71 Ca -0.13 0.54 -0.31 0.00 -0.03 0.00 0.00 56.01 56.08 2k6q n LEU 71 Cb 0.81 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2k6q n LEU 71 CO 0.50 -0.40 -0.21 0.00 -1.33 0.00 0.00 177.39 175.95 2k6q n GLN 72 N -1.66 -2.69 -0.74 3.23 10.64 -0.56 -4.94 117.38 120.66 2k6q n GLN 72 Ca 0.02 0.32 -0.07 0.00 -1.83 0.00 0.00 57.00 55.45 2k6q n GLN 72 Cb 0.13 -4.55 0.04 0.00 -0.86 0.00 0.00 30.24 25.00 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 -4.41 0.00 0.00 2.61 4.77 -1.24 -5.09 117.00 113.63 2k6q n LEU 73 Ca -0.17 -0.43 -0.16 0.00 -0.03 0.00 0.00 56.01 55.23 2k6q n LEU 73 Cb 0.61 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2k6q n LEU 73 CO 0.82 -0.69 -0.07 0.59 -1.33 0.00 0.00 177.39 176.71 2k6q n ASN 74 N -3.11 2.47 0.08 -1.43 3.02 -1.26 -5.00 115.26 110.02 2k6q n ASN 74 Ca 0.04 -2.09 -0.04 0.00 -0.03 0.00 0.00 54.58 52.46 2k6q n ASN 74 Cb 0.14 0.12 0.17 0.00 -0.61 0.00 0.00 39.78 39.60 2k6q n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k6q h ALA 75 N 1.00 0.98 -0.45 5.41 0.00 -2.04 -2.86 119.26 121.30 2k6q h ALA 75 Ca -0.20 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2k6q h ALA 75 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k6q h ALA 75 CO 0.33 0.65 -0.26 -0.91 0.00 0.00 0.00 179.25 179.06 2k6q h ASN 76 N 0.23 1.00 -4.00 0.00 2.35 -2.05 -3.44 115.58 109.67 2k6q h ASN 76 Ca 0.01 -0.40 -0.54 0.00 -0.55 0.00 0.00 56.30 54.82 2k6q h ASN 76 Cb 0.93 -0.28 0.12 0.00 0.05 0.00 0.00 38.32 39.15 2k6q h ASN 76 CO 0.08 1.20 0.68 -1.58 -1.65 0.00 0.00 177.43 176.16 2k6q s GLN 77 N -4.59 3.56 -0.08 0.81 -0.44 -1.08 -5.01 119.66 112.82 2k6q s GLN 77 Ca -0.11 2.38 0.05 0.00 -2.50 0.00 0.00 55.36 55.17 2k6q s GLN 77 Cb 0.12 -2.56 -0.00 0.00 -1.64 0.00 0.00 33.01 28.93 2k6q s GLN 77 CO 0.87 -0.91 -0.24 0.00 0.50 0.00 0.00 175.29 175.52 2k6q s ALA 78 N -1.23 2.12 -0.10 1.58 0.00 -1.26 -4.75 121.76 118.12 2k6q s ALA 78 Ca 0.63 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2k6q s ALA 78 Cb -0.43 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 21.96 2k6q s ALA 78 CO 0.54 0.32 -0.05 0.12 0.00 0.00 0.00 175.76 176.69 2k6q s PHE 79 N 0.20 1.22 -0.24 0.00 5.36 -1.26 -4.26 117.98 118.99 2k6q s PHE 79 Ca -0.14 -0.56 0.01 0.00 -0.96 0.00 0.00 56.93 55.28 2k6q s PHE 79 Cb -0.17 -1.09 0.04 0.00 -0.34 0.00 0.00 43.02 41.46 2k6q s PHE 79 CO 0.07 -0.46 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.20 2k6q s PHE 80 N 1.80 3.09 -0.46 10.12 0.08 0.10 -4.98 117.98 127.73 2k6q s PHE 80 Ca 0.05 -1.91 -0.22 0.00 0.12 0.00 0.00 56.93 54.97 2k6q s PHE 80 Cb -0.13 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2k6q s PHE 80 CO -0.07 -0.81 0.72 -1.17 -0.10 0.00 0.00 175.22 173.78 2k6q s LEU 81 N 1.22 4.40 -0.36 -0.37 2.96 -1.26 -1.45 118.68 123.82 2k6q s LEU 81 Ca -0.03 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 2k6q s LEU 81 Cb -0.17 -2.82 0.01 0.00 0.50 0.00 0.00 46.19 43.71 2k6q s LEU 81 CO -0.07 -0.87 0.76 -0.76 -1.32 0.00 0.00 176.35 174.09 2k6q s LEU 82 N 3.08 4.15 -0.48 -0.68 2.01 0.20 -4.00 118.68 122.97 2k6q s LEU 82 Ca 0.26 0.32 -0.27 0.00 0.01 0.00 0.00 54.13 54.45 2k6q s LEU 82 Cb -0.13 -2.99 0.03 0.00 0.01 0.00 0.00 46.19 43.11 2k6q s LEU 82 CO 0.20 -0.71 1.01 -0.69 1.01 0.00 0.00 176.35 177.17 2k6q s VAL 83 N 3.03 4.36 0.00 -1.59 1.01 0.41 -0.33 120.40 127.29 2k6q s VAL 83 Ca 0.30 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2k6q s VAL 83 Cb -0.13 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2k6q s VAL 83 CO 0.16 -0.93 0.00 0.59 0.00 0.00 0.00 175.10 174.92 2k6q n ASN 84 N 7.46 -2.63 0.00 3.32 3.02 -0.66 -1.49 115.26 124.29 2k6q n ASN 84 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2k6q n ASN 84 Cb 0.49 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 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 -1.54 0.91 3.14 7.41 0.00 -1.20 -4.99 105.19 108.92 2k6q n GLY 85 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.13 1.23 1.61 -3.43 -0.55 -4.95 115.29 109.32 2k6q s HIS 86 Ca 0.00 -0.85 -0.16 0.00 -0.80 0.00 0.00 55.06 53.24 2k6q s HIS 86 Cb 0.00 -1.46 0.27 0.00 -1.43 0.00 0.00 32.58 29.96 2k6q s HIS 86 CO 0.00 -0.37 0.71 -1.13 -2.00 0.00 0.00 174.74 171.95 2k6q n SER 87 N 3.65 -2.50 -1.83 7.38 3.41 -1.26 0.15 113.62 122.62 2k6q n SER 87 Ca -0.21 -0.33 -0.20 0.00 -0.26 0.00 0.00 58.87 57.88 2k6q n SER 87 Cb 0.52 -1.10 0.06 0.00 -0.26 0.00 0.00 64.21 63.43 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 -4.31 3.22 0.13 4.33 0.00 -1.26 -4.61 117.12 114.63 2k6q n MET 88 Ca 0.04 -3.95 0.09 0.00 0.00 0.00 0.00 57.70 53.88 2k6q n MET 88 Cb 0.56 -2.18 0.48 0.00 0.00 0.00 0.00 33.22 32.08 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 -0.80 1.18 -1.49 3.17 3.14 -1.26 -0.14 118.33 122.14 2k6q n VAL 89 Ca 0.42 0.65 0.03 0.00 -2.96 0.00 0.00 64.34 62.48 2k6q n VAL 89 Cb 0.91 -1.64 0.20 0.00 -1.06 0.00 0.00 33.84 32.25 2k6q n VAL 89 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2k6q n SER 90 N -2.12 2.09 -4.52 6.55 3.41 -1.26 -5.00 113.62 112.77 2k6q n SER 90 Ca -0.01 -3.78 -0.30 0.00 -0.26 0.00 0.00 58.87 54.52 2k6q n SER 90 Cb 0.04 -0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 63.29 2k6q n SER 90 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2k6q n VAL 91 N -1.13 -0.02 -1.82 -3.33 3.14 0.80 -4.58 118.33 111.40 2k6q n VAL 91 Ca 0.24 -0.37 0.04 0.00 -2.96 0.00 0.00 64.34 61.29 2k6q n VAL 91 Cb 0.82 -0.96 0.06 0.00 -1.06 0.00 0.00 33.84 32.70 2k6q n VAL 91 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k6q n SER 92 N 11.10 0.93 -3.89 6.55 7.64 -1.26 -4.97 113.62 129.72 2k6q n SER 92 Ca 0.59 -2.46 -0.11 0.00 1.01 0.00 0.00 58.87 57.90 2k6q n SER 92 Cb 0.21 -0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 62.98 2k6q n SER 92 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k6q s THR 93 N -1.03 0.04 0.32 0.44 2.01 -1.26 -5.14 115.64 111.02 2k6q s THR 93 Ca 0.18 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 2k6q s THR 93 Cb 0.18 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 72.40 2k6q s THR 93 CO -0.03 -0.19 1.07 -2.16 -0.69 0.00 0.00 174.62 172.62 2k6q s PRO 94 N -0.59 4.47 0.53 4.92 0.04 -1.26 -3.28 135.00 139.83 2k6q s PRO 94 Ca -0.07 1.68 0.39 0.00 0.04 0.00 0.00 61.00 63.04 2k6q s PRO 94 Cb -0.04 -2.95 1.57 0.00 0.04 0.00 0.00 34.50 33.12 2k6q s PRO 94 CO 0.00 0.10 1.74 0.97 0.04 0.00 0.00 177.00 179.85 2k6q h ILE 95 N 2.76 0.31 -0.53 0.56 2.10 -1.79 1.05 117.51 121.97 2k6q h ILE 95 Ca -0.47 -0.01 0.03 0.00 1.08 0.00 0.00 64.86 65.49 2k6q h ILE 95 Cb 1.21 0.28 -0.04 0.00 -1.09 0.00 0.00 36.82 37.19 2k6q h ILE 95 CO 0.65 0.00 0.30 0.77 -1.08 0.00 0.00 178.15 178.80 2k6q h SER 96 N 0.03 0.48 0.02 2.19 4.64 -1.90 -0.07 113.55 118.94 2k6q h SER 96 Ca 0.66 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.93 2k6q h SER 96 Cb 2.59 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 64.59 2k6q h SER 96 CO -0.04 0.34 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.59 2k6q h GLU 97 N 0.60 0.05 -0.68 4.77 5.08 0.60 -3.02 114.58 121.99 2k6q h GLU 97 Ca 0.22 -0.08 0.20 0.00 -1.00 0.00 0.00 59.36 58.69 2k6q h GLU 97 Cb 0.05 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2k6q h GLU 97 CO -0.11 1.04 0.73 0.28 -1.00 0.00 0.00 179.01 179.95 2k6q h VAL 98 N -0.89 0.24 0.00 3.13 2.07 -0.50 1.53 116.25 121.83 2k6q h VAL 98 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k6q h VAL 98 Cb 1.16 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k6q h VAL 98 CO -0.01 0.00 -0.02 0.22 0.02 0.00 0.00 177.57 177.78 2k6q h TYR 99 N 0.00 0.00 0.00 1.57 5.03 -1.05 -2.58 116.97 119.94 2k6q h TYR 99 Ca 0.32 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.63 2k6q h TYR 99 Cb 1.78 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.06 2k6q h TYR 99 CO 0.00 0.93 0.00 -0.85 -1.32 0.00 0.00 178.16 176.92 2k6q n GLU 100 N -4.62 0.55 -0.06 1.82 0.28 0.74 0.13 120.64 119.48 2k6q n GLU 100 Ca -0.10 0.02 0.06 0.00 -0.16 0.00 0.00 57.16 56.98 2k6q n GLU 100 Cb 0.45 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 31.90 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 -1.18 2.30 0.06 -1.84 7.64 0.49 -4.74 113.62 116.35 2k6q n SER 101 Ca 0.15 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2k6q n SER 101 Cb 0.17 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.60 0.00 -0.90 1.43 -0.58 -0.95 -4.97 120.64 115.27 2k6q n GLU 102 Ca 0.08 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.54 2k6q n GLU 102 Cb 0.34 -0.07 0.01 0.00 -0.57 0.00 0.00 31.44 31.15 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 -3.01 0.00 -2.64 3.49 -4.01 0.34 -4.97 116.66 105.87 2k6q n ARG 103 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 2k6q n ARG 103 Cb 0.03 -0.73 0.01 0.00 -3.04 0.00 0.00 32.46 28.73 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 1.90 1.81 -0.34 2.89 8.00 -1.26 -4.92 116.55 124.63 2k6q n ASP 104 Ca 0.05 -1.98 0.22 0.00 0.71 0.00 0.00 54.79 53.80 2k6q n ASP 104 Cb 0.35 -0.05 0.46 0.00 -0.02 0.00 0.00 41.12 41.86 2k6q n ASP 104 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k6q h GLU 105 N 0.00 0.41 -0.41 -1.24 3.07 -1.96 0.38 114.58 114.83 2k6q h GLU 105 Ca -0.18 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.74 2k6q h GLU 105 Cb 0.67 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.41 2k6q h GLU 105 CO 0.28 0.27 -0.13 0.38 -1.40 0.00 0.00 179.01 178.41 2k6q h ASP 106 N 0.42 -0.45 0.00 1.42 2.03 -1.95 -3.46 116.42 114.43 2k6q h ASP 106 Ca 0.68 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 57.12 2k6q h ASP 106 Cb 1.54 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 40.32 2k6q h ASP 106 CO -0.49 -0.16 0.00 0.61 -1.03 0.00 0.00 179.24 178.17 2k6q n GLY 107 N -1.33 1.09 3.29 7.15 0.00 0.13 -4.57 105.19 110.95 2k6q n GLY 107 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2k6q n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k6q s PHE 108 N -2.00 2.49 0.26 1.61 2.19 -1.26 -4.85 117.98 116.41 2k6q s PHE 108 Ca 0.00 -0.68 -0.30 0.00 0.33 0.00 0.00 56.93 56.28 2k6q s PHE 108 Cb 0.00 -1.62 -0.09 0.00 -1.31 0.00 0.00 43.02 39.99 2k6q s PHE 108 CO 0.00 -0.19 0.98 -0.51 1.83 0.00 0.00 175.22 177.33 2k6q s LEU 109 N -0.16 4.60 -0.24 6.12 2.01 -1.17 -4.22 118.68 125.62 2k6q s LEU 109 Ca -0.03 2.02 0.00 0.00 0.01 0.00 0.00 54.13 56.13 2k6q s LEU 109 Cb -0.14 -3.64 0.07 0.00 0.01 0.00 0.00 46.19 42.48 2k6q s LEU 109 CO 0.04 0.07 -0.02 -0.31 1.01 0.00 0.00 176.35 177.13 2k6q s TYR 110 N -1.20 2.22 -0.03 0.29 2.02 -1.26 0.97 117.35 120.35 2k6q s TYR 110 Ca 0.43 -1.69 0.03 0.00 -0.37 0.00 0.00 57.07 55.47 2k6q s TYR 110 Cb -0.27 -1.58 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 2k6q s TYR 110 CO 0.34 -0.77 -0.12 -1.64 -1.57 0.00 0.00 175.55 171.78 2k6q s MET 111 N 1.45 1.25 -0.16 -0.62 -1.94 -1.17 -1.66 119.30 116.47 2k6q s MET 111 Ca -0.03 -0.44 -0.04 0.00 -1.71 0.00 0.00 55.69 53.47 2k6q s MET 111 Cb -0.18 -1.14 -0.03 0.00 2.01 0.00 0.00 34.83 35.48 2k6q s MET 111 CO -0.08 0.19 -0.01 0.08 -0.01 0.00 0.00 175.02 175.19 2k6q s VAL 112 N 0.05 4.17 0.27 -6.03 1.01 0.56 -2.10 120.40 118.32 2k6q s VAL 112 Ca -0.02 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2k6q s VAL 112 Cb -0.09 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2k6q s VAL 112 CO 0.01 0.50 0.24 -0.72 0.00 0.00 0.00 175.10 175.12 2k6q s TYR 113 N 0.23 3.11 -0.11 5.22 -0.85 -1.12 0.61 117.35 124.45 2k6q s TYR 113 Ca -0.01 -0.14 -0.33 0.00 -0.52 0.00 0.00 57.07 56.08 2k6q s TYR 113 Cb -0.13 -1.50 0.15 0.00 0.38 0.00 0.00 41.96 40.85 2k6q s TYR 113 CO 0.02 0.44 1.41 0.00 -1.52 0.00 0.00 175.55 175.90 2k6q s ALA 114 N -2.15 -2.43 -0.58 9.51 0.00 -0.53 -2.50 121.76 123.09 2k6q s ALA 114 Ca 0.35 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.42 2k6q s ALA 114 Cb -0.08 0.16 0.37 0.00 0.00 0.00 0.00 23.12 23.57 2k6q s ALA 114 CO 0.26 -0.99 1.14 0.45 0.00 0.00 0.00 175.76 176.62 2k6q n SER 115 N -0.43 3.23 -3.65 0.00 2.88 -1.26 0.00 113.62 114.39 2k6q n SER 115 Ca -0.08 -2.48 -0.15 0.00 -1.33 0.00 0.00 58.87 54.83 2k6q n SER 115 Cb 0.63 -0.60 -0.14 0.00 -0.75 0.00 0.00 64.21 63.35 2k6q n SER 115 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2k6q s GLN 116 N -1.77 0.12 0.00 -1.46 -0.21 -1.26 -4.91 119.66 110.17 2k6q s GLN 116 Ca 0.25 0.65 0.15 0.00 0.02 0.00 0.00 55.36 56.44 2k6q s GLN 116 Cb 0.20 -0.20 -0.08 0.00 1.00 0.00 0.00 33.01 33.94 2k6q s GLN 116 CO 0.07 -0.32 0.73 -1.91 -2.12 0.00 0.00 175.29 171.74 2k6q n GLU 117 N 5.34 1.95 -2.91 2.91 2.13 -1.26 -4.56 120.64 124.24 2k6q n GLU 117 Ca -0.06 -0.42 -0.19 0.00 0.66 0.00 0.00 57.16 57.15 2k6q n GLU 117 Cb 0.50 -1.22 -0.01 0.00 0.27 0.00 0.00 31.44 30.97 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 -0.70 1.23 -0.04 6.31 -2.24 -1.26 -4.80 114.28 112.77 2k6q n THR 118 Ca 0.05 -4.53 0.01 0.00 -2.27 0.00 0.00 64.05 57.31 2k6q n THR 118 Cb 0.28 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.00 0.00 4.78 -1.74 -1.26 -5.28 117.46 113.93 2k6q n PHE 119 Ca 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.14 2k6q n PHE 119 Cb 0.63 -0.63 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