#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6q s ILE 2 N 0.00 3.32 0.17 5.18 1.01 -1.26 -5.00 121.20 124.62 1k6q s ILE 2 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 60.65 61.24 1k6q s ILE 2 Cb 0.00 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 1k6q s ILE 2 CO 0.00 -0.02 0.43 -0.54 0.00 0.00 0.00 174.94 174.81 1k6q s LYS 3 N 3.03 3.66 -0.19 2.79 -0.14 -1.26 -4.78 119.74 122.86 1k6q s LYS 3 Ca 0.72 0.00 0.01 0.00 -1.36 0.00 0.00 55.97 55.34 1k6q s LYS 3 Cb -0.36 -2.79 0.03 0.00 -1.68 0.00 0.00 37.83 33.02 1k6q s LYS 3 CO 0.31 0.42 -0.17 -1.64 -0.76 0.00 0.00 175.35 173.50 1k6q s MET 4 N -2.74 2.73 -0.31 1.68 -1.94 -1.26 -0.48 119.30 116.98 1k6q s MET 4 Ca 0.43 -0.89 -0.11 0.00 -1.71 0.00 0.00 55.69 53.41 1k6q s MET 4 Cb -0.12 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 1k6q s MET 4 CO 0.24 -0.29 0.18 0.99 -0.01 0.00 0.00 175.02 176.14 1k6q s THR 5 N 1.29 4.96 -0.07 2.05 2.01 0.13 -4.47 115.64 121.54 1k6q s THR 5 Ca 0.02 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1k6q s THR 5 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1k6q s THR 5 CO -0.11 0.10 0.05 -1.58 -0.69 0.00 0.00 174.62 172.38 1k6q s GLN 6 N 1.68 3.08 -0.09 4.92 0.74 -1.26 0.89 119.66 129.62 1k6q s GLN 6 Ca 0.06 -0.37 -0.11 0.00 0.05 0.00 0.00 55.36 54.98 1k6q s GLN 6 Cb -0.17 -2.88 0.03 0.00 1.10 0.00 0.00 33.01 31.09 1k6q s GLN 6 CO 0.08 0.70 0.29 0.45 -0.55 0.00 0.00 175.29 176.27 1k6q s SER 7 N -1.11 -0.28 0.68 6.67 0.15 0.55 -4.65 113.70 115.71 1k6q s SER 7 Ca 0.16 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.25 1k6q s SER 7 Cb -0.12 0.55 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1k6q s SER 7 CO 0.05 -0.17 0.97 -2.16 1.20 0.00 0.00 173.24 173.13 1k6q s PRO 8 N -0.13 2.24 0.11 5.44 0.04 -1.26 0.83 135.00 142.27 1k6q s PRO 8 Ca -0.03 -0.38 -0.13 0.00 0.04 0.00 0.00 61.00 60.50 1k6q s PRO 8 Cb -0.03 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1k6q s PRO 8 CO 0.01 -1.15 1.40 0.66 0.04 0.00 0.00 177.00 177.96 1k6q h SER 9 N -0.47 0.91 -5.07 6.66 4.64 -1.82 -3.39 113.55 115.00 1k6q h SER 9 Ca -0.44 -0.53 -0.09 0.00 -0.47 0.00 0.00 61.79 60.27 1k6q h SER 9 Cb 1.31 -0.26 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 1k6q h SER 9 CO 0.58 1.26 -0.25 -0.94 -0.87 0.00 0.00 176.83 176.61 1k6q s SER 10 N -6.83 -0.09 0.00 4.97 1.04 -1.26 -0.22 113.70 111.30 1k6q s SER 10 Ca -0.11 -0.29 -0.29 0.00 0.48 0.00 0.00 55.95 55.74 1k6q s SER 10 Cb 0.09 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1k6q s SER 10 CO 0.87 -0.66 0.98 0.00 0.98 0.00 0.00 173.24 175.41 1k6q s MET 11 N -2.92 0.80 0.03 4.02 0.00 -0.53 -4.91 119.30 115.79 1k6q s MET 11 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 55.69 55.31 1k6q s MET 11 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 34.83 35.15 1k6q s MET 11 CO -0.06 -0.36 -0.01 -1.54 0.00 0.00 0.00 175.02 173.06 1k6q s SER 12 N -2.57 0.26 0.13 -1.18 1.04 -1.26 -0.88 113.70 109.24 1k6q s SER 12 Ca 0.08 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 1k6q s SER 12 Cb -0.01 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1k6q s SER 12 CO -0.06 -0.37 0.30 0.00 0.98 0.00 0.00 173.24 174.10 1k6q s ALA 13 N -1.95 -0.42 0.24 5.32 0.00 -1.15 -4.89 121.76 118.90 1k6q s ALA 13 Ca -0.11 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 1k6q s ALA 13 Cb -0.06 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 1k6q s ALA 13 CO -0.03 -0.61 0.52 -1.12 0.00 0.00 0.00 175.76 174.52 1k6q s SER 14 N -2.88 6.50 0.45 0.00 0.01 -1.25 0.11 113.70 116.65 1k6q s SER 14 Ca 0.08 0.74 -0.21 0.00 1.31 0.00 0.00 55.95 57.88 1k6q s SER 14 Cb 0.03 -2.15 -0.13 0.00 0.21 0.00 0.00 66.02 63.98 1k6q s SER 14 CO -0.08 -0.11 0.39 0.18 0.41 0.00 0.00 173.24 174.03 1k6q n LEU 15 N -0.51 -0.76 0.00 2.44 4.32 -1.26 -1.07 117.00 120.15 1k6q n LEU 15 Ca -0.01 0.83 0.00 0.00 -0.02 0.00 0.00 56.01 56.81 1k6q n LEU 15 Cb 0.53 -1.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.27 1k6q n LEU 15 CO 0.47 -3.35 0.00 0.61 -1.22 0.00 0.00 177.39 173.90 1k6q n GLY 16 N 1.96 1.73 3.35 -0.72 0.00 -1.03 -4.90 105.19 105.58 1k6q n GLY 16 Ca 0.11 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1k6q n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k6q n GLU 17 N 0.00 -1.72 -4.80 1.61 1.02 -0.23 -4.00 120.64 112.52 1k6q n GLU 17 Ca 0.00 -0.48 -0.25 0.00 -0.02 0.00 0.00 57.16 56.41 1k6q n GLU 17 Cb 0.00 -1.86 -0.16 0.00 -0.02 0.00 0.00 31.44 29.41 1k6q n GLU 17 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1k6q s SER 18 N -2.03 2.02 0.10 1.62 1.04 -1.06 -1.50 113.70 113.90 1k6q s SER 18 Ca 0.60 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.80 1k6q s SER 18 Cb -0.17 -0.39 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 1k6q s SER 18 CO 0.66 0.18 -0.20 0.68 0.98 0.00 0.00 173.24 175.54 1k6q s VAL 19 N -0.18 2.73 -0.10 5.02 -7.23 -0.66 -4.98 120.40 115.00 1k6q s VAL 19 Ca 0.02 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1k6q s VAL 19 Cb -0.09 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1k6q s VAL 19 CO 0.01 0.15 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.91 1k6q s THR 20 N -1.08 1.40 -0.05 5.32 2.01 -1.26 -1.57 115.64 120.41 1k6q s THR 20 Ca 0.17 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1k6q s THR 20 Cb -0.10 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1k6q s THR 20 CO 0.08 0.42 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 1k6q s ILE 21 N 0.94 3.19 0.18 1.82 1.01 0.42 -4.78 121.20 123.98 1k6q s ILE 21 Ca -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1k6q s ILE 21 Cb -0.15 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1k6q s ILE 21 CO -0.00 0.58 -0.14 0.42 0.00 0.00 0.00 174.94 175.79 1k6q s THR 22 N -0.76 1.64 -0.05 2.92 -4.23 0.24 0.13 115.64 115.54 1k6q s THR 22 Ca 0.12 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1k6q s THR 22 Cb -0.11 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.83 1k6q s THR 22 CO 0.01 -0.55 0.11 0.00 -0.54 0.00 0.00 174.62 173.65 1k6q s LYS 24 N 0.50 1.55 0.09 0.00 2.20 0.26 -1.49 119.74 122.85 1k6q s LYS 24 Ca -0.04 -0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1k6q s LYS 24 Cb -0.05 -1.42 -0.04 0.00 -1.51 0.00 0.00 37.83 34.81 1k6q s LYS 24 CO -0.02 0.30 0.26 0.00 -0.36 0.00 0.00 175.35 175.53 1k6q s ALA 25 N -0.18 3.96 -1.23 3.13 0.00 0.08 0.20 121.76 127.73 1k6q s ALA 25 Ca 0.01 -0.83 0.12 0.00 0.00 0.00 0.00 51.96 51.26 1k6q s ALA 25 Cb -0.09 -1.87 0.57 0.00 0.00 0.00 0.00 23.12 21.72 1k6q s ALA 25 CO 0.01 0.74 1.34 -1.13 0.00 0.00 0.00 175.76 176.71 1k6q n SER 26 N 0.06 0.00 -3.66 0.00 3.41 0.37 -4.76 113.62 109.04 1k6q n SER 26 Ca -0.05 0.29 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 1k6q n SER 26 Cb 0.52 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1k6q n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k6q s ARG 27 N -2.77 1.32 -0.09 4.33 1.70 -1.26 -4.95 118.95 117.23 1k6q s ARG 27 Ca 0.09 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 1k6q s ARG 27 Cb 0.08 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.89 1k6q s ARG 27 CO 0.20 -0.59 2.08 -3.47 -1.08 0.00 0.00 175.30 172.44 1k6q n ASP 28 N -0.40 3.69 -1.00 -2.89 2.03 -1.26 -4.64 116.55 112.07 1k6q n ASP 28 Ca -0.08 0.61 0.10 0.00 0.52 0.00 0.00 54.79 55.93 1k6q n ASP 28 Cb 0.61 -1.52 0.21 0.00 -0.72 0.00 0.00 41.12 39.70 1k6q n ASP 28 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1k6q n ILE 29 N 6.47 0.71 -3.78 5.18 -5.35 -0.22 -4.98 119.36 117.38 1k6q n ILE 29 Ca 0.25 -0.85 -0.24 0.00 -0.27 0.00 0.00 62.75 61.63 1k6q n ILE 29 Cb 0.41 0.76 0.03 0.00 -1.74 0.00 0.00 39.64 39.10 1k6q n ILE 29 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k6q n LYS 30 N 1.19 -5.06 -0.82 6.28 5.02 -1.23 -1.83 118.16 121.70 1k6q n LYS 30 Ca 0.17 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1k6q n LYS 30 Cb 0.53 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 1k6q n LYS 30 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1k6q n SER 31 N -2.98 -2.20 -3.81 4.39 7.64 -1.26 -4.88 113.62 110.53 1k6q n SER 31 Ca -0.19 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 1k6q n SER 31 Cb 0.63 -2.00 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1k6q n SER 31 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1k6q n TYR 32 N -2.15 3.63 -4.00 1.43 0.53 -0.76 -2.00 117.16 113.83 1k6q n TYR 32 Ca 0.00 -2.97 -0.09 0.00 -1.02 0.00 0.00 57.90 53.83 1k6q n TYR 32 Cb 0.14 -2.56 -0.11 0.00 -1.03 0.00 0.00 39.34 35.79 1k6q n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1k6q s LEU 33 N 2.34 2.28 0.03 7.72 1.98 -1.26 -1.23 118.68 130.54 1k6q s LEU 33 Ca 0.47 -0.58 -0.08 0.00 -2.89 0.00 0.00 54.13 51.05 1k6q s LEU 33 Cb 0.13 0.11 0.00 0.00 0.66 0.00 0.00 46.19 47.09 1k6q s LEU 33 CO -0.07 -0.35 0.16 -0.94 -1.89 0.00 0.00 176.35 173.26 1k6q s SER 34 N -1.69 0.06 0.10 3.68 1.04 -0.36 -1.44 113.70 115.09 1k6q s SER 34 Ca -0.12 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.01 1k6q s SER 34 Cb -0.07 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1k6q s SER 34 CO -0.02 -0.50 -0.10 0.26 0.98 0.00 0.00 173.24 173.85 1k6q s TRP 35 N -2.31 2.74 0.09 5.02 0.52 -0.72 -0.32 118.94 123.97 1k6q s TRP 35 Ca -0.07 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 55.93 1k6q s TRP 35 Cb -0.02 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 1k6q s TRP 35 CO -0.03 0.42 -0.10 0.71 0.02 0.00 0.00 176.95 177.98 1k6q s TYR 36 N -1.20 1.00 -0.05 -1.98 1.51 0.21 0.13 117.35 116.97 1k6q s TYR 36 Ca 0.21 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1k6q s TYR 36 Cb -0.11 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1k6q s TYR 36 CO 0.13 -0.03 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.19 1k6q s GLN 37 N -2.74 2.47 -0.07 -0.62 0.74 -0.46 -1.39 119.66 117.60 1k6q s GLN 37 Ca 0.04 -0.85 -0.01 0.00 0.05 0.00 0.00 55.36 54.59 1k6q s GLN 37 Cb -0.03 -2.21 0.03 0.00 1.10 0.00 0.00 33.01 31.90 1k6q s GLN 37 CO -0.00 0.47 0.01 -1.14 -0.55 0.00 0.00 175.29 174.08 1k6q s GLN 38 N -0.38 0.49 0.45 1.67 0.74 0.24 -0.61 119.66 122.27 1k6q s GLN 38 Ca 0.03 0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.62 1k6q s GLN 38 Cb -0.12 -0.89 0.01 0.00 1.10 0.00 0.00 33.01 33.11 1k6q s GLN 38 CO 0.02 -0.30 0.65 0.15 -0.55 0.00 0.00 175.29 175.25 1k6q s LYS 39 N 1.98 2.91 0.29 1.67 1.02 -1.26 -1.79 119.74 124.57 1k6q s LYS 39 Ca 0.05 -0.75 -0.27 0.00 0.02 0.00 0.00 55.97 55.01 1k6q s LYS 39 Cb -0.12 -2.61 -0.14 0.00 -0.52 0.00 0.00 37.83 34.43 1k6q s LYS 39 CO -0.05 -0.32 0.92 -2.30 -0.92 0.00 0.00 175.35 172.68 1k6q n PRO 40 N -2.04 1.13 -4.25 -1.68 -0.02 -1.26 -2.46 135.00 124.41 1k6q n PRO 40 Ca 0.03 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 1k6q n PRO 40 Cb 0.58 -1.72 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 1k6q n PRO 40 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1k6q n TRP 41 N 0.08 -1.17 -3.92 6.00 8.01 -1.26 -4.90 117.44 120.29 1k6q n TRP 41 Ca 0.11 0.59 -0.09 0.00 -1.31 0.00 0.00 57.50 56.81 1k6q n TRP 41 Cb 0.32 -2.43 -0.08 0.00 -2.01 0.00 0.00 31.31 27.11 1k6q n TRP 41 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1k6q s LYS 42 N -7.08 0.83 0.52 -0.99 2.20 -1.03 -5.16 119.74 109.03 1k6q s LYS 42 Ca 0.19 -1.04 -0.09 0.00 -0.36 0.00 0.00 55.97 54.67 1k6q s LYS 42 Cb -0.11 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.48 1k6q s LYS 42 CO 0.95 -0.25 0.88 -1.54 -0.36 0.00 0.00 175.35 175.03 1k6q s SER 43 N -2.89 6.33 0.68 1.43 1.04 -1.26 -4.64 113.70 114.39 1k6q s SER 43 Ca 0.07 1.18 -0.14 0.00 0.48 0.00 0.00 55.95 57.55 1k6q s SER 43 Cb 0.05 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.82 1k6q s SER 43 CO -0.10 -0.64 1.09 -2.84 0.98 0.00 0.00 173.24 171.73 1k6q s PRO 44 N -4.67 2.77 -0.08 4.02 0.02 -1.26 -4.58 135.00 131.22 1k6q s PRO 44 Ca 0.52 1.25 0.01 0.00 0.02 0.00 0.00 61.00 62.80 1k6q s PRO 44 Cb -0.10 -1.96 0.02 0.00 0.02 0.00 0.00 34.50 32.48 1k6q s PRO 44 CO 0.44 -1.25 -0.07 0.21 -0.33 0.00 0.00 177.00 176.00 1k6q s LYS 45 N -4.39 1.29 0.25 5.54 2.20 0.22 -4.96 119.74 119.88 1k6q s LYS 45 Ca 0.64 -0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.72 1k6q s LYS 45 Cb -0.18 -1.28 -0.13 0.00 -1.51 0.00 0.00 37.83 34.73 1k6q s LYS 45 CO 0.46 -0.14 1.53 2.41 -0.36 0.00 0.00 175.35 179.25 1k6q n THR 46 N 4.44 0.75 -0.06 3.43 -1.04 -1.26 -1.36 114.28 119.17 1k6q n THR 46 Ca -0.18 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.05 61.54 1k6q n THR 46 Cb 0.51 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.25 1k6q n THR 46 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k6q n LEU 47 N 2.52 2.17 -3.88 -4.42 4.77 0.12 -4.73 117.00 113.54 1k6q n LEU 47 Ca 0.12 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1k6q n LEU 47 Cb 0.33 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1k6q n LEU 47 CO 0.63 0.54 -0.15 -0.63 -1.33 0.00 0.00 177.39 176.45 1k6q s ILE 48 N -2.25 0.12 0.08 -0.08 -1.09 -1.15 -2.45 121.20 114.39 1k6q s ILE 48 Ca -0.18 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.19 1k6q s ILE 48 Cb 0.05 -0.96 -0.03 0.00 -1.58 0.00 0.00 42.46 39.94 1k6q s ILE 48 CO 0.27 -0.56 0.05 -0.72 -1.23 0.00 0.00 174.94 172.74 1k6q s TYR 49 N -2.75 0.53 -1.47 3.97 1.13 0.36 -1.75 117.35 117.38 1k6q s TYR 49 Ca -0.04 -1.01 -0.04 0.00 -1.41 0.00 0.00 57.07 54.57 1k6q s TYR 49 Cb -0.00 -0.34 0.03 0.00 -1.10 0.00 0.00 41.96 40.55 1k6q s TYR 49 CO -0.05 -0.46 0.50 0.66 -2.51 0.00 0.00 175.55 173.69 1k6q n TYR 50 N 0.01 -1.69 0.00 -3.49 0.53 -0.84 -1.02 117.16 110.67 1k6q n TYR 50 Ca -0.12 0.76 0.00 0.00 -1.02 0.00 0.00 57.90 57.52 1k6q n TYR 50 Cb 0.62 -3.60 0.00 0.00 -1.03 0.00 0.00 39.34 35.33 1k6q n TYR 50 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1k6q n ALA 51 N -4.41 0.00 0.00 -0.72 0.00 -0.52 -3.93 120.51 110.92 1k6q n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1k6q n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1k6q n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1k6q n THR 52 N 0.00 0.00 -2.51 0.00 -2.24 -1.14 -3.86 114.28 104.53 1k6q n THR 52 Ca 0.00 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1k6q n THR 52 Cb 0.00 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1k6q n THR 52 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1k6q s SER 53 N -1.49 7.09 0.47 3.42 0.01 -0.19 -4.39 113.70 118.62 1k6q s SER 53 Ca 0.00 1.74 -0.21 0.00 1.31 0.00 0.00 55.95 58.80 1k6q s SER 53 Cb 0.00 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1k6q s SER 53 CO 0.00 -0.56 1.03 -0.76 0.41 0.00 0.00 173.24 173.36 1k6q s LEU 54 N 2.22 3.88 0.46 2.44 1.43 -1.26 -0.48 118.68 127.37 1k6q s LEU 54 Ca 0.54 1.90 -0.04 0.00 -1.03 0.00 0.00 54.13 55.50 1k6q s LEU 54 Cb -0.23 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 1k6q s LEU 54 CO 0.21 -0.70 0.75 0.00 0.23 0.00 0.00 176.35 176.84 1k6q s ALA 55 N -1.98 3.44 0.51 4.21 0.00 -1.03 -4.86 121.76 122.06 1k6q s ALA 55 Ca 0.66 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.84 1k6q s ALA 55 Cb -0.16 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 1k6q s ALA 55 CO 0.19 -0.30 1.11 -0.25 0.00 0.00 0.00 175.76 176.51 1k6q n ASP 56 N -2.19 1.62 0.00 0.00 9.92 -1.26 -1.70 116.55 122.94 1k6q n ASP 56 Ca -0.00 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 1k6q n ASP 56 Cb 0.55 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1k6q n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k6q n GLY 57 N 1.06 1.19 3.74 0.44 0.00 -1.26 -4.97 105.19 105.38 1k6q n GLY 57 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1k6q n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k6q s VAL 58 N -2.63 4.73 1.03 1.61 1.01 -0.69 -5.05 120.40 120.42 1k6q s VAL 58 Ca 0.00 1.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.57 1k6q s VAL 58 Cb 0.00 -4.15 0.21 0.00 0.00 0.00 0.00 36.38 32.44 1k6q s VAL 58 CO 0.00 0.33 1.08 -2.84 0.00 0.00 0.00 175.10 173.67 1k6q s PRO 59 N 0.09 0.13 0.14 2.72 0.02 -1.26 -4.88 135.00 131.96 1k6q s PRO 59 Ca 0.41 1.06 -0.04 0.00 0.02 0.00 0.00 61.00 62.44 1k6q s PRO 59 Cb -0.21 -1.66 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 1k6q s PRO 59 CO 0.24 -3.08 1.33 0.66 -0.33 0.00 0.00 177.00 175.82 1k6q h SER 60 N -2.17 0.56 0.01 2.53 4.64 -2.00 -3.26 113.55 113.86 1k6q h SER 60 Ca -0.53 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 1k6q h SER 60 Cb 1.30 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1k6q h SER 60 CO 0.48 1.21 0.00 -2.11 -0.87 0.00 0.00 176.83 175.54 1k6q n ARG 61 N -3.78 0.06 -3.98 4.77 1.85 -1.26 -4.35 116.66 109.96 1k6q n ARG 61 Ca -0.06 0.06 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 1k6q n ARG 61 Cb 0.80 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.58 1k6q n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1k6q s PHE 62 N -2.13 3.01 0.03 2.89 0.08 -1.23 -1.43 117.98 119.19 1k6q s PHE 62 Ca 0.03 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.44 1k6q s PHE 62 Cb 0.02 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1k6q s PHE 62 CO 0.03 -0.37 -0.02 -1.54 -0.10 0.00 0.00 175.22 173.22 1k6q s SER 63 N 1.26 0.30 -0.05 1.36 1.04 0.25 -4.95 113.70 112.91 1k6q s SER 63 Ca 0.03 -0.64 0.05 0.00 0.48 0.00 0.00 55.95 55.87 1k6q s SER 63 Cb -0.15 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1k6q s SER 63 CO 0.00 -0.40 -0.21 -0.83 0.98 0.00 0.00 173.24 172.78 1k6q s GLY 64 N -1.94 1.38 0.40 7.32 0.00 -1.26 -0.79 107.32 112.44 1k6q s GLY 64 Ca -0.08 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.65 1k6q s GLY 64 CO -0.04 -0.72 0.15 -1.35 0.00 0.00 0.00 173.10 171.15 1k6q s SER 65 N -0.40 2.69 0.00 1.64 1.04 -0.72 -4.38 113.70 113.57 1k6q s SER 65 Ca 0.04 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.77 1k6q s SER 65 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1k6q s SER 65 CO 0.02 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1k6q n GLY 66 N -0.89 0.96 3.68 7.32 0.00 -1.26 -1.79 105.19 113.22 1k6q n GLY 66 Ca -0.05 -2.08 -0.00 0.00 0.00 0.00 0.00 46.02 43.89 1k6q n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k6q s SER 67 N 0.00 -0.09 0.58 1.61 1.04 -0.26 -4.95 113.70 111.64 1k6q s SER 67 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1k6q s SER 67 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1k6q s SER 67 CO 0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1k6q n GLY 68 N -0.51 1.09 0.00 7.32 0.00 -1.26 -2.30 105.19 109.54 1k6q n GLY 68 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1k6q n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k6q n GLN 69 N 0.00 5.31 -4.72 1.61 6.02 -1.26 -1.05 117.38 123.28 1k6q n GLN 69 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1k6q n GLN 69 Cb 0.00 -0.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.64 1k6q n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k6q s ASP 70 N -0.94 4.12 0.06 1.08 1.11 -0.97 -0.74 116.67 120.37 1k6q s ASP 70 Ca 0.00 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.43 1k6q s ASP 70 Cb 0.00 -1.63 -0.04 0.00 1.07 0.00 0.00 42.92 42.32 1k6q s ASP 70 CO 0.00 0.16 -0.04 -0.31 1.18 0.00 0.00 175.17 176.16 1k6q s TYR 71 N 0.36 0.58 -0.05 4.23 2.02 -0.56 -1.10 117.35 122.84 1k6q s TYR 71 Ca -0.10 -0.88 -0.18 0.00 -0.37 0.00 0.00 57.07 55.54 1k6q s TYR 71 Cb -0.16 -0.39 0.04 0.00 -0.40 0.00 0.00 41.96 41.05 1k6q s TYR 71 CO 0.05 -0.26 0.40 -1.54 -1.57 0.00 0.00 175.55 172.63 1k6q s SER 72 N -2.57 -0.32 -0.18 2.29 1.04 -0.74 -2.09 113.70 111.12 1k6q s SER 72 Ca 0.03 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.77 1k6q s SER 72 Cb 0.02 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1k6q s SER 72 CO -0.06 -0.42 -0.04 -0.22 0.98 0.00 0.00 173.24 173.48 1k6q s LEU 73 N -1.00 3.10 -0.06 2.42 2.96 0.12 -1.75 118.68 124.48 1k6q s LEU 73 Ca -0.10 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1k6q s LEU 73 Cb -0.04 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 1k6q s LEU 73 CO 0.05 0.10 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.04 1k6q s THR 74 N 0.80 2.02 -0.30 3.68 2.01 0.03 -0.44 115.64 123.44 1k6q s THR 74 Ca -0.01 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1k6q s THR 74 Cb -0.15 -1.72 0.08 0.00 0.01 0.00 0.00 72.50 70.73 1k6q s THR 74 CO 0.02 0.56 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.87 1k6q s ILE 75 N -0.10 2.04 0.00 1.82 1.01 -0.61 -0.58 121.20 124.79 1k6q s ILE 75 Ca -0.05 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 58.70 1k6q s ILE 75 Cb -0.14 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1k6q s ILE 75 CO 0.04 -0.35 0.34 -1.54 0.00 0.00 0.00 174.94 173.43 1k6q n SER 76 N 4.41 0.00 -4.48 3.58 3.41 -0.52 -1.65 113.62 118.37 1k6q n SER 76 Ca -0.05 0.35 -0.43 0.00 -0.26 0.00 0.00 58.87 58.48 1k6q n SER 76 Cb 0.42 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1k6q n SER 76 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k6q s SER 77 N -1.68 6.55 -0.06 4.04 0.15 -1.26 -2.56 113.70 118.87 1k6q s SER 77 Ca 0.00 -1.76 -0.36 0.00 0.70 0.00 0.00 55.95 54.53 1k6q s SER 77 Cb 0.00 -2.45 -0.14 0.00 -1.71 0.00 0.00 66.02 61.72 1k6q s SER 77 CO 0.00 -1.23 1.73 -0.11 1.20 0.00 0.00 173.24 174.83 1k6q n LEU 78 N 7.34 2.93 -4.58 3.45 7.94 -0.56 -4.71 117.00 128.80 1k6q n LEU 78 Ca 0.24 1.03 -0.33 0.00 -1.11 0.00 0.00 56.01 55.84 1k6q n LEU 78 Cb 0.49 -1.31 -0.11 0.00 0.53 0.00 0.00 43.42 43.02 1k6q n LEU 78 CO 0.56 -0.30 -0.39 -1.61 -1.11 0.00 0.00 177.39 174.54 1k6q s GLU 79 N 2.92 2.65 0.64 1.96 2.02 -1.26 -2.45 118.70 125.18 1k6q s GLU 79 Ca 0.90 -0.63 0.25 0.00 0.02 0.00 0.00 54.97 55.51 1k6q s GLU 79 Cb -0.81 -2.53 1.28 0.00 0.10 0.00 0.00 34.13 32.17 1k6q s GLU 79 CO 0.52 0.64 1.73 0.66 0.02 0.00 0.00 175.26 178.82 1k6q h SER 80 N 4.99 0.00 -0.23 -0.19 4.64 -1.92 1.16 113.55 122.01 1k6q h SER 80 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1k6q h SER 80 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1k6q h SER 80 CO 0.52 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.58 1k6q n ASP 81 N -3.08 1.63 -0.25 4.97 5.75 -1.14 -3.52 116.55 120.91 1k6q n ASP 81 Ca 0.03 -1.81 0.14 0.00 -0.01 0.00 0.00 54.79 53.14 1k6q n ASP 81 Cb 0.64 -0.15 0.61 0.00 -1.03 0.00 0.00 41.12 41.19 1k6q n ASP 81 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1k6q n ASP 82 N 0.33 0.84 -4.66 -1.12 8.00 0.40 -4.86 116.55 115.48 1k6q n ASP 82 Ca 0.14 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 1k6q n ASP 82 Cb 0.30 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1k6q n ASP 82 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k6q s THR 83 N -2.22 3.08 -0.30 -3.53 2.01 -1.23 -4.85 115.64 108.60 1k6q s THR 83 Ca 0.35 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1k6q s THR 83 Cb 0.21 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1k6q s THR 83 CO 0.41 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 1k6q n ALA 84 N 7.17 0.00 -2.56 7.40 0.00 -0.95 -4.85 120.51 126.72 1k6q n ALA 84 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1k6q n ALA 84 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 1k6q n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k6q s THR 85 N -2.80 2.21 -0.01 0.00 2.01 -0.74 -0.07 115.64 116.25 1k6q s THR 85 Ca 0.00 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.03 1k6q s THR 85 Cb 0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1k6q s THR 85 CO 0.00 0.57 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.02 1k6q s TYR 86 N -0.37 2.58 0.03 4.92 1.51 0.21 -0.59 117.35 125.64 1k6q s TYR 86 Ca 0.03 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1k6q s TYR 86 Cb -0.12 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1k6q s TYR 86 CO 0.02 0.17 -0.14 0.71 -1.11 0.00 0.00 175.55 175.20 1k6q s TYR 87 N -0.79 1.23 0.19 2.71 2.02 -0.48 -1.41 117.35 120.81 1k6q s TYR 87 Ca 0.13 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1k6q s TYR 87 Cb -0.10 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1k6q s TYR 87 CO 0.02 0.03 0.10 0.00 -1.57 0.00 0.00 175.55 174.13 1k6q s LEU 89 N -3.25 1.57 -0.08 0.00 2.96 0.56 -1.01 118.68 119.43 1k6q s LEU 89 Ca 0.30 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1k6q s LEU 89 Cb -0.09 0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.65 1k6q s LEU 89 CO 0.22 -0.05 -0.09 0.00 -1.32 0.00 0.00 176.35 175.10 1k6q s GLN 90 N 0.40 2.91 -0.20 1.98 1.03 -0.24 -1.22 119.66 124.32 1k6q s GLN 90 Ca -0.03 -0.60 0.13 0.00 0.04 0.00 0.00 55.36 54.90 1k6q s GLN 90 Cb -0.05 -2.58 0.44 0.00 0.03 0.00 0.00 33.01 30.85 1k6q s GLN 90 CO -0.01 0.53 1.20 -2.39 -2.54 0.00 0.00 175.29 172.07 1k6q n HIS 91 N 2.62 0.73 0.09 9.60 1.44 -0.36 -2.61 115.22 126.72 1k6q n HIS 91 Ca -0.18 -1.55 0.01 0.00 -2.01 0.00 0.00 57.72 53.99 1k6q n HIS 91 Cb 0.53 -0.25 0.35 0.00 0.12 0.00 0.00 29.99 30.74 1k6q n HIS 91 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1k6q h GLY 92 N 1.39 0.34 -4.05 -1.39 0.00 -1.80 -3.45 103.07 94.11 1k6q h GLY 92 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1k6q h GLY 92 CO 0.21 0.20 0.39 -1.83 0.00 0.00 0.00 176.54 175.51 1k6q s GLU 93 N -4.74 0.83 0.24 4.80 -1.05 -1.26 -5.05 118.70 112.47 1k6q s GLU 93 Ca -0.06 0.09 -0.24 0.00 -0.15 0.00 0.00 54.97 54.60 1k6q s GLU 93 Cb 0.15 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 34.14 1k6q s GLU 93 CO 0.74 -0.28 0.83 -1.12 0.95 0.00 0.00 175.26 176.38 1k6q s SER 94 N -1.43 7.30 0.35 0.83 0.01 -1.26 -3.35 113.70 116.15 1k6q s SER 94 Ca -0.04 1.67 -0.27 0.00 1.31 0.00 0.00 55.95 58.63 1k6q s SER 94 Cb -0.00 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 1k6q s SER 94 CO 0.02 0.06 1.09 -2.16 0.41 0.00 0.00 173.24 172.67 1k6q s PRO 95 N -1.69 4.35 0.55 12.44 0.04 -1.26 -4.98 135.00 144.45 1k6q s PRO 95 Ca 0.43 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.99 1k6q s PRO 95 Cb -0.20 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1k6q s PRO 95 CO 0.24 -0.02 1.08 -0.06 0.04 0.00 0.00 177.00 178.28 1k6q s PHE 96 N -1.40 2.83 0.02 0.56 0.08 -1.21 -4.74 117.98 114.12 1k6q s PHE 96 Ca 0.52 1.55 0.01 0.00 0.12 0.00 0.00 56.93 59.13 1k6q s PHE 96 Cb -0.28 -3.14 -0.02 0.00 -0.57 0.00 0.00 43.02 39.01 1k6q s PHE 96 CO 0.35 -1.25 -0.04 0.95 -0.10 0.00 0.00 175.22 175.13 1k6q s THR 97 N -2.05 0.28 0.22 0.64 -4.23 -1.07 -4.98 115.64 104.45 1k6q s THR 97 Ca 0.68 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 1k6q s THR 97 Cb -0.19 -0.36 -0.05 0.00 1.34 0.00 0.00 72.50 73.24 1k6q s THR 97 CO 0.28 -0.33 0.44 -0.36 -0.54 0.00 0.00 174.62 174.12 1k6q s PHE 98 N -1.09 3.48 0.95 3.99 0.08 -1.26 -1.07 117.98 123.05 1k6q s PHE 98 Ca -0.10 0.46 -0.14 0.00 0.12 0.00 0.00 56.93 57.27 1k6q s PHE 98 Cb -0.08 -1.95 0.17 0.00 -0.57 0.00 0.00 43.02 40.59 1k6q s PHE 98 CO -0.00 0.32 1.19 0.20 -0.10 0.00 0.00 175.22 176.82 1k6q s GLY 99 N -3.08 1.63 0.00 4.36 0.00 -0.18 -4.72 107.32 105.33 1k6q s GLY 99 Ca 0.40 -0.77 0.21 0.00 0.00 0.00 0.00 44.72 44.56 1k6q s GLY 99 CO 0.29 -0.13 1.73 -1.14 0.00 0.00 0.00 173.10 173.85 1k6q n SER 100 N -3.83 0.40 -0.03 1.64 3.41 -1.26 -4.73 113.62 109.21 1k6q n SER 100 Ca 0.10 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1k6q n SER 100 Cb 0.60 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1k6q n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k6q n GLY 101 N 0.90 -2.56 2.87 5.00 0.00 -1.26 -4.99 105.19 105.14 1k6q n GLY 101 Ca 0.16 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1k6q n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k6q s THR 102 N -2.91 0.76 -0.43 2.61 2.01 -0.50 -4.52 115.64 112.65 1k6q s THR 102 Ca 0.00 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 1k6q s THR 102 Cb 0.00 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.72 1k6q s THR 102 CO 0.00 0.31 0.67 -0.75 -0.69 0.00 0.00 174.62 174.16 1k6q s LYS 103 N 1.59 3.33 -0.23 4.92 2.20 0.69 -0.62 119.74 131.62 1k6q s LYS 103 Ca 0.01 -0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.23 1k6q s LYS 103 Cb -0.13 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1k6q s LYS 103 CO -0.05 -1.01 0.12 -1.17 -0.36 0.00 0.00 175.35 172.88 1k6q s LEU 104 N 2.90 3.94 0.17 5.43 2.96 0.90 -1.45 118.68 133.52 1k6q s LEU 104 Ca 0.24 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.30 1k6q s LEU 104 Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1k6q s LEU 104 CO 0.19 0.07 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.47 1k6q s GLU 105 N 1.00 1.36 -0.09 1.98 8.01 -0.06 -2.23 118.70 128.68 1k6q s GLU 105 Ca 0.06 -1.42 -0.20 0.00 0.01 0.00 0.00 54.97 53.42 1k6q s GLU 105 Cb -0.14 -1.59 -0.04 0.00 -4.31 0.00 0.00 34.13 28.06 1k6q s GLU 105 CO 0.04 0.34 0.55 -0.51 0.01 0.00 0.00 175.26 175.69 1k6q s LEU 106 N -2.52 4.30 -0.86 1.80 1.43 -1.26 -2.93 118.68 118.64 1k6q s LEU 106 Ca 0.16 0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 1k6q s LEU 106 Cb -0.07 -2.83 0.20 0.00 0.03 0.00 0.00 46.19 43.52 1k6q s LEU 106 CO 0.08 -0.02 0.86 -0.75 0.23 0.00 0.00 176.35 176.75 1k6q s LYS 107 N 0.57 3.62 0.00 1.70 2.20 0.30 -4.87 119.74 123.26 1k6q s LYS 107 Ca 0.30 -2.33 0.00 0.00 -0.36 0.00 0.00 55.97 53.57 1k6q s LYS 107 Cb -0.16 -4.54 0.00 0.00 -1.51 0.00 0.00 37.83 31.62 1k6q s LYS 107 CO 0.13 -1.40 0.00 2.89 -0.36 0.00 0.00 175.35 176.62 1k6q n ARG 108 N 4.50 3.45 -4.59 4.03 1.85 -1.26 -3.96 116.66 120.69 1k6q n ARG 108 Ca 0.17 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.70 1k6q n ARG 108 Cb 0.47 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.77 1k6q n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k6q s ALA 109 N -3.26 2.78 0.36 2.89 0.00 -1.26 -5.06 121.76 118.21 1k6q s ALA 109 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 1k6q s ALA 109 Cb 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 23.12 22.06 1k6q s ALA 109 CO 0.00 0.59 0.47 -0.25 0.00 0.00 0.00 175.76 176.58 1k6q n ASP 110 N 1.59 -1.22 -3.68 0.00 8.00 -1.26 -4.77 116.55 115.21 1k6q n ASP 110 Ca -0.16 0.95 -0.09 0.00 0.71 0.00 0.00 54.79 56.21 1k6q n ASP 110 Cb 0.52 -1.04 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 1k6q n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k6q s ALA 111 N -1.39 -1.26 0.37 2.24 0.00 0.40 -4.89 121.76 117.23 1k6q s ALA 111 Ca 0.62 1.73 -0.24 0.00 0.00 0.00 0.00 51.96 54.07 1k6q s ALA 111 Cb -0.69 -1.11 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 1k6q s ALA 111 CO 0.59 -0.37 0.96 0.00 0.00 0.00 0.00 175.76 176.93 1k6q s ALA 112 N 1.66 3.14 1.20 0.00 0.00 -1.26 -1.15 121.76 125.34 1k6q s ALA 112 Ca -0.08 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 1k6q s ALA 112 Cb -0.08 -3.18 0.29 0.00 0.00 0.00 0.00 23.12 20.15 1k6q s ALA 112 CO -0.14 0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.61 1k6q s PRO 113 N -2.50 -1.25 -0.32 0.00 0.04 -1.26 -4.59 135.00 125.12 1k6q s PRO 113 Ca 0.55 -0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.48 1k6q s PRO 113 Cb -0.15 -1.60 0.10 0.00 0.04 0.00 0.00 34.50 32.89 1k6q s PRO 113 CO 0.20 -3.72 0.11 0.99 0.04 0.00 0.00 177.00 174.62 1k6q s THR 114 N -3.04 1.01 0.35 1.26 2.01 -0.60 -4.88 115.64 111.75 1k6q s THR 114 Ca 0.71 -1.56 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 1k6q s THR 114 Cb -0.09 -1.76 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 1k6q s THR 114 CO 0.56 -0.69 0.89 -0.69 -0.69 0.00 0.00 174.62 173.99 1k6q s VAL 115 N 1.46 4.39 -0.30 3.82 1.01 -1.24 -1.86 120.40 127.68 1k6q s VAL 115 Ca 0.11 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1k6q s VAL 115 Cb -0.18 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.57 1k6q s VAL 115 CO -0.22 -0.06 0.40 -0.44 0.00 0.00 0.00 175.10 174.78 1k6q s SER 116 N -1.91 0.59 0.30 3.32 0.01 -0.45 -4.95 113.70 110.62 1k6q s SER 116 Ca 0.54 -0.55 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 1k6q s SER 116 Cb -0.14 0.99 -0.10 0.00 0.21 0.00 0.00 66.02 66.99 1k6q s SER 116 CO 0.19 -0.35 0.96 -0.51 0.41 0.00 0.00 173.24 173.94 1k6q s ILE 117 N 2.41 4.11 -0.03 1.44 2.07 -1.26 -2.00 121.20 127.93 1k6q s ILE 117 Ca 0.10 1.86 0.03 0.00 -1.41 0.00 0.00 60.65 61.24 1k6q s ILE 117 Cb -0.13 -4.08 0.00 0.00 0.13 0.00 0.00 42.46 38.38 1k6q s ILE 117 CO -0.28 0.25 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.52 1k6q s PHE 118 N -1.47 1.22 0.32 3.50 0.40 0.74 -4.98 117.98 117.70 1k6q s PHE 118 Ca 0.48 -0.32 -0.26 0.00 -0.60 0.00 0.00 56.93 56.23 1k6q s PHE 118 Cb -0.22 -0.84 -0.10 0.00 0.51 0.00 0.00 43.02 42.37 1k6q s PHE 118 CO 0.27 -0.12 0.95 -2.14 0.70 0.00 0.00 175.22 174.88 1k6q s PRO 119 N 0.12 4.59 0.76 0.24 0.02 -1.26 -3.27 135.00 136.20 1k6q s PRO 119 Ca -0.03 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.17 1k6q s PRO 119 Cb -0.09 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.59 1k6q s PRO 119 CO 0.01 0.28 0.52 -0.35 -0.33 0.00 0.00 177.00 177.13 1k6q n PRO 120 N 0.58 0.21 -2.59 5.54 -0.04 -1.19 -4.96 135.00 132.55 1k6q n PRO 120 Ca 0.02 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.36 1k6q n PRO 120 Cb 0.50 -1.85 0.04 0.00 -0.04 0.00 0.00 33.50 32.15 1k6q n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1k6q s SER 121 N -1.57 5.30 -0.04 3.54 1.04 -1.26 -4.96 113.70 115.74 1k6q s SER 121 Ca 0.64 0.18 -0.25 0.00 0.48 0.00 0.00 55.95 57.00 1k6q s SER 121 Cb -0.32 -1.08 -0.20 0.00 0.10 0.00 0.00 66.02 64.51 1k6q s SER 121 CO 0.59 -1.15 1.11 0.77 0.98 0.00 0.00 173.24 175.54 1k6q h SER 122 N -0.02 -0.05 -0.87 7.02 4.64 -1.97 -1.15 113.55 121.14 1k6q h SER 122 Ca -0.43 -0.52 0.20 0.00 -0.47 0.00 0.00 61.79 60.56 1k6q h SER 122 Cb 1.29 0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.33 1k6q h SER 122 CO 0.55 0.52 0.58 -0.33 -0.87 0.00 0.00 176.83 177.29 1k6q h GLU 123 N -0.65 0.34 -0.04 4.77 3.07 -1.98 1.52 114.58 121.61 1k6q h GLU 123 Ca -0.01 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1k6q h GLU 123 Cb 0.57 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1k6q h GLU 123 CO 0.01 0.22 -0.08 0.37 -1.40 0.00 0.00 179.01 178.13 1k6q h GLN 124 N 0.35 0.12 0.00 2.33 4.15 -1.86 -2.86 115.11 117.34 1k6q h GLN 124 Ca 0.45 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.77 1k6q h GLN 124 Cb 1.19 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1k6q h GLN 124 CO -0.15 0.66 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.25 1k6q h LEU 125 N -0.40 0.00 -2.27 -2.39 3.38 0.53 0.71 115.31 114.86 1k6q h LEU 125 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1k6q h LEU 125 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1k6q h LEU 125 CO 0.02 0.09 0.23 0.74 0.09 0.00 0.00 178.44 179.61 1k6q h THR 126 N 0.00 0.27 -3.98 0.22 2.02 0.23 -3.37 112.91 108.30 1k6q h THR 126 Ca -0.00 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 66.49 1k6q h THR 126 Cb 0.23 0.80 -0.24 0.00 -1.74 0.00 0.00 68.15 67.20 1k6q h THR 126 CO 0.01 0.00 -0.78 -0.44 0.37 0.00 0.00 175.52 174.69 1k6q s SER 127 N -5.30 3.97 0.00 4.18 0.01 0.24 -5.01 113.70 111.80 1k6q s SER 127 Ca -0.04 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 1k6q s SER 127 Cb 0.13 -0.91 -0.16 0.00 0.21 0.00 0.00 66.02 65.29 1k6q s SER 127 CO 0.46 0.32 1.10 0.61 0.41 0.00 0.00 173.24 176.15 1k6q n GLY 128 N 2.45 0.87 3.61 3.44 0.00 -1.26 -4.66 105.19 109.65 1k6q n GLY 128 Ca -0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1k6q n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k6q s GLY 129 N 5.27 -0.20 -0.00 -0.02 0.00 -1.26 -3.81 107.32 107.29 1k6q s GLY 129 Ca 0.29 2.41 -0.01 0.00 0.00 0.00 0.00 44.72 47.41 1k6q s GLY 129 CO 0.15 1.51 0.02 0.00 0.00 0.00 0.00 173.10 174.78 1k6q s ALA 130 N -0.32 -0.05 0.00 3.20 0.00 0.52 -3.72 121.76 121.38 1k6q s ALA 130 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1k6q s ALA 130 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1k6q s ALA 130 CO -0.03 -0.06 -0.11 -1.12 0.00 0.00 0.00 175.76 174.44 1k6q s SER 131 N -0.40 1.32 -0.37 0.00 0.01 -1.26 -0.28 113.70 112.72 1k6q s SER 131 Ca -0.04 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 56.99 1k6q s SER 131 Cb -0.03 -0.13 0.11 0.00 0.21 0.00 0.00 66.02 66.18 1k6q s SER 131 CO -0.00 0.10 0.09 -0.69 0.41 0.00 0.00 173.24 173.15 1k6q s VAL 132 N -0.42 2.32 0.06 3.43 1.01 0.04 -3.16 120.40 123.68 1k6q s VAL 132 Ca 0.03 -2.52 -0.20 0.00 0.00 0.00 0.00 61.98 59.29 1k6q s VAL 132 Cb -0.05 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 1k6q s VAL 132 CO -0.00 -0.64 0.60 0.54 0.00 0.00 0.00 175.10 175.60 1k6q s VAL 133 N 0.69 4.74 -0.05 2.92 0.11 -1.20 -0.88 120.40 126.72 1k6q s VAL 133 Ca 0.12 1.28 0.05 0.00 -2.93 0.00 0.00 61.98 60.51 1k6q s VAL 133 Cb -0.20 -3.94 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 1k6q s VAL 133 CO -0.07 0.52 -0.21 0.00 -3.33 0.00 0.00 175.10 172.01 1k6q s PHE 135 N -0.10 2.85 -0.36 0.00 2.99 -0.85 -0.79 117.98 121.71 1k6q s PHE 135 Ca -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 56.93 56.14 1k6q s PHE 135 Cb -0.12 -1.90 0.09 0.00 0.00 0.00 0.00 43.02 41.08 1k6q s PHE 135 CO 0.03 -0.30 0.12 -0.51 -0.00 0.00 0.00 175.22 174.55 1k6q s LEU 136 N 0.62 4.72 -0.03 -0.37 1.02 -0.19 -1.34 118.68 123.12 1k6q s LEU 136 Ca -0.07 -1.75 -0.01 0.00 0.02 0.00 0.00 54.13 52.32 1k6q s LEU 136 Cb -0.15 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1k6q s LEU 136 CO 0.03 -0.43 0.05 0.20 0.02 0.00 0.00 176.35 176.22 1k6q s ASN 137 N 1.54 5.50 -0.18 2.29 0.01 -0.78 -1.18 114.94 122.14 1k6q s ASN 137 Ca 0.04 0.13 -0.11 0.00 -0.71 0.00 0.00 52.86 52.21 1k6q s ASN 137 Cb -0.21 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 39.91 1k6q s ASN 137 CO -0.03 0.31 0.20 0.59 -1.51 0.00 0.00 177.10 176.65 1k6q n ASN 138 N 1.48 -6.61 -4.13 -1.22 4.13 -1.16 -1.56 115.26 106.19 1k6q n ASN 138 Ca -0.15 0.43 -0.11 0.00 1.68 0.00 0.00 54.58 56.43 1k6q n ASN 138 Cb 0.53 -2.38 -0.09 0.00 -1.54 0.00 0.00 39.78 36.30 1k6q n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1k6q s PHE 139 N -1.31 0.89 -0.28 3.10 -0.12 -0.65 -4.27 117.98 115.35 1k6q s PHE 139 Ca 0.11 -1.19 -0.25 0.00 -0.05 0.00 0.00 56.93 55.55 1k6q s PHE 139 Cb -0.01 -0.38 0.11 0.00 -0.63 0.00 0.00 43.02 42.11 1k6q s PHE 139 CO 0.38 -0.67 0.99 -0.47 -0.05 0.00 0.00 175.22 175.40 1k6q s TYR 140 N -4.09 -0.52 1.30 3.49 6.14 -0.30 -0.76 117.35 122.60 1k6q s TYR 140 Ca 0.31 1.27 -0.20 0.00 0.64 0.00 0.00 57.07 59.09 1k6q s TYR 140 Cb 0.06 0.35 0.32 0.00 0.42 0.00 0.00 41.96 43.11 1k6q s TYR 140 CO 0.08 -0.25 1.00 -1.25 0.64 0.00 0.00 175.55 175.77 1k6q s PRO 141 N 0.27 -1.99 0.28 4.97 0.04 -1.26 0.15 135.00 137.46 1k6q s PRO 141 Ca 0.03 0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.32 1k6q s PRO 141 Cb -0.05 -1.48 0.42 0.00 0.04 0.00 0.00 34.50 33.43 1k6q s PRO 141 CO -0.05 -4.27 1.69 -0.22 0.04 0.00 0.00 177.00 174.18 1k6q h LYS 142 N -2.99 0.30 -6.84 4.56 3.64 -1.97 -3.45 116.57 109.81 1k6q h LYS 142 Ca -0.48 -0.14 -0.51 0.00 -1.27 0.00 0.00 60.65 58.25 1k6q h LYS 142 Cb 1.33 -0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1k6q h LYS 142 CO 0.35 0.65 0.53 -0.51 -2.27 0.00 0.00 179.45 178.21 1k6q s ASP 143 N -6.87 7.04 -0.27 4.20 1.01 -1.26 -5.03 116.67 115.49 1k6q s ASP 143 Ca -0.05 2.42 -0.26 0.00 0.71 0.00 0.00 52.55 55.37 1k6q s ASP 143 Cb 0.13 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.57 1k6q s ASP 143 CO 0.78 -0.32 1.14 -0.51 0.21 0.00 0.00 175.17 176.47 1k6q s ILE 144 N -1.18 0.00 0.18 0.77 2.07 -1.26 -5.04 121.20 116.74 1k6q s ILE 144 Ca 0.47 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.60 1k6q s ILE 144 Cb -0.34 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.18 1k6q s ILE 144 CO 0.45 0.00 0.53 0.20 -1.91 0.00 0.00 174.94 174.20 1k6q s ASN 145 N 0.02 6.68 -0.09 4.50 0.02 -1.26 -4.97 114.94 119.84 1k6q s ASN 145 Ca 0.04 0.94 -0.01 0.00 -1.02 0.00 0.00 52.86 52.81 1k6q s ASN 145 Cb -0.04 -2.23 0.03 0.00 0.02 0.00 0.00 41.25 39.02 1k6q s ASN 145 CO -0.08 0.01 -0.05 -0.69 0.02 0.00 0.00 177.10 176.31 1k6q s VAL 146 N -1.66 0.78 -0.01 1.60 1.01 -1.26 -2.38 120.40 118.48 1k6q s VAL 146 Ca 0.43 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1k6q s VAL 146 Cb -0.13 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1k6q s VAL 146 CO 0.20 0.32 -0.22 -0.54 0.00 0.00 0.00 175.10 174.87 1k6q s LYS 147 N 1.73 1.75 0.03 2.72 1.02 0.16 -4.94 119.74 122.20 1k6q s LYS 147 Ca 0.04 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.26 1k6q s LYS 147 Cb -0.13 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1k6q s LYS 147 CO -0.06 0.47 -0.09 -1.58 -0.92 0.00 0.00 175.35 173.16 1k6q s TRP 148 N -0.55 2.80 -0.18 3.18 0.52 -1.26 0.12 118.94 123.57 1k6q s TRP 148 Ca 0.09 -0.10 -0.02 0.00 0.02 0.00 0.00 56.10 56.09 1k6q s TRP 148 Cb -0.09 -1.55 0.05 0.00 -1.15 0.00 0.00 33.47 30.74 1k6q s TRP 148 CO -0.01 0.36 0.01 0.15 0.02 0.00 0.00 176.95 177.48 1k6q s LYS 149 N -1.55 0.87 -0.31 4.98 1.02 0.04 -4.63 119.74 120.15 1k6q s LYS 149 Ca 0.17 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 1k6q s LYS 149 Cb -0.11 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1k6q s LYS 149 CO 0.08 -0.56 1.10 0.42 -0.92 0.00 0.00 175.35 175.47 1k6q s ILE 150 N 1.79 4.47 0.00 2.17 -1.09 -0.07 -2.14 121.20 126.33 1k6q s ILE 150 Ca -0.01 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 1k6q s ILE 150 Cb -0.16 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1k6q s ILE 150 CO -0.07 -0.47 0.00 0.47 -1.23 0.00 0.00 174.94 173.64 1k6q n ASP 151 N 6.93 0.00 -0.02 3.58 8.00 0.14 -2.22 116.55 132.97 1k6q n ASP 151 Ca 0.12 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.63 1k6q n ASP 151 Cb 0.47 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 1k6q n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k6q n GLY 152 N 0.00 -1.08 4.00 0.44 0.00 -1.26 -4.73 105.19 102.56 1k6q n GLY 152 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 1k6q n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k6q s SER 153 N -5.25 5.50 -0.25 1.61 0.15 -0.94 -4.97 113.70 109.55 1k6q s SER 153 Ca -0.07 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.21 1k6q s SER 153 Cb 0.10 -0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1k6q s SER 153 CO 0.85 -0.92 0.06 -0.70 1.20 0.00 0.00 173.24 173.73 1k6q s GLU 154 N -4.50 3.59 0.08 5.44 2.12 -1.26 -0.89 118.70 123.27 1k6q s GLU 154 Ca 0.56 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.42 1k6q s GLU 154 Cb -0.10 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1k6q s GLU 154 CO 0.35 -0.21 -0.13 -0.98 -0.54 0.00 0.00 175.26 173.76 1k6q s ARG 155 N 1.60 0.80 0.33 4.30 1.70 -1.26 -5.01 118.95 121.40 1k6q s ARG 155 Ca 0.06 -0.99 -0.28 0.00 -0.47 0.00 0.00 55.73 54.05 1k6q s ARG 155 Cb -0.15 -0.70 -0.09 0.00 -0.57 0.00 0.00 34.95 33.43 1k6q s ARG 155 CO 0.03 0.14 1.12 -1.14 -1.08 0.00 0.00 175.30 174.37 1k6q s GLN 156 N -2.00 4.43 0.03 3.89 -0.44 -1.26 -4.82 119.66 119.49 1k6q s GLN 156 Ca -0.01 1.79 0.00 0.00 -2.50 0.00 0.00 55.36 54.65 1k6q s GLN 156 Cb -0.08 -2.98 0.00 0.00 -1.64 0.00 0.00 33.01 28.31 1k6q s GLN 156 CO 0.02 0.02 0.00 0.09 0.50 0.00 0.00 175.29 175.92 1k6q n ASN 157 N 0.74 -0.23 0.00 6.67 5.03 -1.26 -5.16 115.26 121.05 1k6q n ASN 157 Ca 0.01 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1k6q n ASN 157 Cb 0.46 0.68 0.00 0.00 -1.02 0.00 0.00 39.78 39.89 1k6q n ASN 157 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k6q n GLY 158 N -1.50 1.58 3.21 7.41 0.00 -1.26 -4.93 105.19 109.70 1k6q n GLY 158 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 1k6q n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k6q s VAL 159 N 0.00 1.84 -0.10 1.61 1.01 -1.26 0.27 120.40 123.77 1k6q s VAL 159 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1k6q s VAL 159 Cb 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1k6q s VAL 159 CO 0.00 0.52 -0.10 -0.76 0.00 0.00 0.00 175.10 174.76 1k6q s LEU 160 N 0.05 1.40 -0.08 3.92 1.43 -0.59 -4.96 118.68 119.85 1k6q s LEU 160 Ca -0.08 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1k6q s LEU 160 Cb -0.14 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1k6q s LEU 160 CO 0.05 -0.06 -0.07 0.20 0.23 0.00 0.00 176.35 176.70 1k6q s ASN 161 N 1.34 4.66 -0.03 2.29 0.01 -1.26 -0.40 114.94 121.56 1k6q s ASN 161 Ca -0.01 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1k6q s ASN 161 Cb -0.14 -1.26 0.03 0.00 0.41 0.00 0.00 41.25 40.29 1k6q s ASN 161 CO -0.05 0.33 0.02 -0.55 -1.51 0.00 0.00 177.10 175.35 1k6q s SER 162 N -0.64 0.35 -0.03 -1.22 0.15 -0.30 -4.96 113.70 107.04 1k6q s SER 162 Ca 0.10 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1k6q s SER 162 Cb -0.12 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1k6q s SER 162 CO 0.02 -0.13 -0.04 0.26 1.20 0.00 0.00 173.24 174.55 1k6q s TRP 163 N 1.15 2.98 0.59 3.44 0.51 -1.26 -0.04 118.94 126.30 1k6q s TRP 163 Ca -0.08 0.03 -0.03 0.00 -2.12 0.00 0.00 56.10 53.90 1k6q s TRP 163 Cb -0.13 -1.67 0.03 0.00 -0.81 0.00 0.00 33.47 30.88 1k6q s TRP 163 CO -0.02 0.39 0.86 0.95 -0.51 0.00 0.00 176.95 178.62 1k6q s THR 164 N -0.95 2.99 0.78 2.01 -4.23 -0.16 -5.00 115.64 111.08 1k6q s THR 164 Ca 0.16 -0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 1k6q s THR 164 Cb -0.11 -3.18 0.06 0.00 1.34 0.00 0.00 72.50 70.61 1k6q s THR 164 CO 0.06 -0.16 1.15 -1.81 -0.54 0.00 0.00 174.62 173.32 1k6q s ASP 165 N -4.39 4.77 0.51 3.99 1.01 -1.26 -4.48 116.67 116.81 1k6q s ASP 165 Ca 0.56 0.87 -0.23 0.00 0.71 0.00 0.00 52.55 54.47 1k6q s ASP 165 Cb -0.10 -1.45 -0.07 0.00 1.01 0.00 0.00 42.92 42.31 1k6q s ASP 165 CO 0.42 -1.75 1.26 1.67 0.21 0.00 0.00 175.17 176.98 1k6q n GLN 166 N -3.23 1.64 -2.58 8.23 7.27 -1.26 -4.73 117.38 122.72 1k6q n GLN 166 Ca 0.08 0.60 -0.41 0.00 0.07 0.00 0.00 57.00 57.34 1k6q n GLN 166 Cb 0.60 -2.43 -0.04 0.00 2.41 0.00 0.00 30.24 30.78 1k6q n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1k6q s ASP 167 N -0.82 7.35 0.22 1.69 2.15 0.47 -4.92 116.67 122.80 1k6q s ASP 167 Ca 0.68 2.00 0.01 0.00 0.43 0.00 0.00 52.55 55.67 1k6q s ASP 167 Cb -0.45 -2.60 0.20 0.00 -0.30 0.00 0.00 42.92 39.77 1k6q s ASP 167 CO 0.52 -0.17 1.54 0.28 -0.17 0.00 0.00 175.17 177.18 1k6q h SER 168 N 5.24 0.41 0.00 -0.34 0.02 -1.91 -1.69 113.55 115.27 1k6q h SER 168 Ca -0.44 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1k6q h SER 168 Cb 1.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1k6q h SER 168 CO 0.72 0.90 -0.03 0.11 -1.14 0.00 0.00 176.83 177.39 1k6q h LYS 169 N 0.28 0.00 -0.02 3.45 1.57 -1.93 -3.02 116.57 116.90 1k6q h LYS 169 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k6q h LYS 169 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1k6q h LYS 169 CO 0.10 0.00 -0.21 -0.40 -0.57 0.00 0.00 179.45 178.37 1k6q n ASP 170 N -4.41 2.36 -2.22 0.86 5.75 -1.26 -4.93 116.55 112.70 1k6q n ASP 170 Ca -0.00 -1.68 -0.19 0.00 -0.01 0.00 0.00 54.79 52.91 1k6q n ASP 170 Cb 0.02 0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1k6q n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1k6q n SER 171 N 0.60 -5.42 -4.98 -1.12 7.64 -0.64 -4.97 113.62 104.74 1k6q n SER 171 Ca 0.11 -0.06 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 1k6q n SER 171 Cb 0.48 -4.43 0.04 0.00 -1.01 0.00 0.00 64.21 59.29 1k6q n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1k6q s THR 172 N -2.96 1.78 0.17 0.44 -4.23 -1.26 -4.63 115.64 104.94 1k6q s THR 172 Ca 0.05 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1k6q s THR 172 Cb -0.02 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1k6q s THR 172 CO 0.06 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.68 1k6q s TYR 173 N -2.76 1.62 0.07 3.99 1.51 0.06 -0.40 117.35 121.44 1k6q s TYR 173 Ca 0.49 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1k6q s TYR 173 Cb -0.04 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1k6q s TYR 173 CO 0.31 0.27 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.81 1k6q s SER 174 N -2.92 1.20 -0.00 2.29 0.01 -1.26 -1.64 113.70 111.38 1k6q s SER 174 Ca 0.17 -0.71 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 1k6q s SER 174 Cb -0.03 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1k6q s SER 174 CO 0.05 -0.24 0.15 -0.32 0.41 0.00 0.00 173.24 173.29 1k6q s MET 175 N -2.33 0.48 -0.08 12.44 1.75 -0.32 -0.99 119.30 130.25 1k6q s MET 175 Ca -0.01 -0.35 0.04 0.00 -1.25 0.00 0.00 55.69 54.12 1k6q s MET 175 Cb -0.05 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.82 1k6q s MET 175 CO -0.00 -0.12 -0.20 -1.54 -0.65 0.00 0.00 175.02 172.52 1k6q s SER 176 N -1.31 2.58 -0.18 1.11 1.04 0.94 -1.02 113.70 116.86 1k6q s SER 176 Ca -0.14 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 1k6q s SER 176 Cb -0.07 -1.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.91 1k6q s SER 176 CO 0.02 0.12 -0.08 -0.55 0.98 0.00 0.00 173.24 173.73 1k6q s SER 177 N 0.40 4.21 -0.19 7.02 0.15 0.03 -1.15 113.70 124.17 1k6q s SER 177 Ca -0.16 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.15 1k6q s SER 177 Cb -0.17 -1.69 0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1k6q s SER 177 CO 0.07 0.06 -0.18 -0.89 1.20 0.00 0.00 173.24 173.49 1k6q s THR 178 N 0.99 2.09 -0.22 6.45 2.01 0.47 0.24 115.64 127.67 1k6q s THR 178 Ca -0.01 -1.05 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 1k6q s THR 178 Cb -0.15 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1k6q s THR 178 CO -0.00 0.44 0.72 -0.22 -0.69 0.00 0.00 174.62 174.87 1k6q s LEU 179 N 1.26 4.11 0.10 4.42 2.96 -0.06 -1.55 118.68 129.93 1k6q s LEU 179 Ca 0.03 0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1k6q s LEU 179 Cb -0.14 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1k6q s LEU 179 CO -0.12 -0.38 0.33 -0.89 -1.32 0.00 0.00 176.35 173.97 1k6q s THR 180 N 2.32 5.23 0.17 3.68 2.01 0.14 -0.78 115.64 128.42 1k6q s THR 180 Ca 0.31 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 1k6q s THR 180 Cb -0.16 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1k6q s THR 180 CO 0.09 0.12 0.50 -0.76 -0.69 0.00 0.00 174.62 173.88 1k6q s LEU 181 N -2.46 0.10 0.01 4.42 1.43 0.62 -4.08 118.68 118.71 1k6q s LEU 181 Ca 0.37 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1k6q s LEU 181 Cb -0.13 2.10 -0.05 0.00 0.03 0.00 0.00 46.19 48.14 1k6q s LEU 181 CO 0.24 -0.99 0.35 -0.89 0.23 0.00 0.00 176.35 175.29 1k6q s THR 182 N -3.84 5.15 0.15 5.49 2.01 -1.26 -0.36 115.64 122.98 1k6q s THR 182 Ca 0.07 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1k6q s THR 182 Cb -0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 1k6q s THR 182 CO -0.06 0.47 1.45 1.17 -0.69 0.00 0.00 174.62 176.96 1k6q n LYS 183 N 1.49 -0.41 0.27 4.92 4.81 -1.25 -0.50 118.16 127.49 1k6q n LYS 183 Ca -0.13 1.42 0.13 0.00 -0.87 0.00 0.00 58.31 58.86 1k6q n LYS 183 Cb 0.53 -2.09 0.78 0.00 0.02 0.00 0.00 35.03 34.27 1k6q n LYS 183 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1k6q h ASP 184 N 0.00 0.00 0.84 3.14 3.32 -1.94 -0.10 116.42 121.68 1k6q h ASP 184 Ca 0.15 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1k6q h ASP 184 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1k6q h ASP 184 CO -0.87 0.08 -0.58 -0.33 -1.72 0.00 0.00 179.24 175.82 1k6q h GLU 185 N 0.00 0.00 0.08 3.56 4.39 -1.19 -3.18 114.58 118.25 1k6q h GLU 185 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1k6q h GLU 185 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1k6q h GLU 185 CO 0.01 0.58 -1.13 -0.92 -1.16 0.00 0.00 179.01 176.40 1k6q h TYR 186 N 0.00 0.50 0.00 4.33 3.20 -0.04 -3.28 116.97 121.67 1k6q h TYR 186 Ca -0.01 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.54 1k6q h TYR 186 Cb 1.16 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1k6q h TYR 186 CO 0.00 1.21 0.00 0.39 -1.64 0.00 0.00 178.16 178.12 1k6q n GLU 187 N -3.60 0.59 0.00 1.82 -0.58 -0.66 -4.17 120.64 114.03 1k6q n GLU 187 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1k6q n GLU 187 Cb 0.95 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 1k6q n GLU 187 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1k6q n ARG 188 N -0.04 0.00 -0.73 3.49 1.74 -1.24 -5.07 116.66 114.81 1k6q n ARG 188 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1k6q n ARG 188 Cb 0.09 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.68 1k6q n ARG 188 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k6q n HIS 189 N -0.61 -1.48 0.00 -1.55 8.25 -1.26 -5.00 115.22 113.57 1k6q n HIS 189 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1k6q n HIS 189 Cb 0.00 -1.56 0.00 0.00 1.12 0.00 0.00 29.99 29.55 1k6q n HIS 189 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1k6q n ASN 190 N -0.91 2.04 -4.13 0.41 3.02 -1.26 -4.99 115.26 109.43 1k6q n ASN 190 Ca 0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.18 1k6q n ASN 190 Cb 0.63 0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 39.98 1k6q n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k6q s SER 191 N -1.52 5.45 0.15 6.41 0.15 -1.26 -4.03 113.70 119.04 1k6q s SER 191 Ca 0.00 -2.73 -0.24 0.00 0.70 0.00 0.00 55.95 53.69 1k6q s SER 191 Cb 0.00 -1.90 -0.08 0.00 -1.71 0.00 0.00 66.02 62.33 1k6q s SER 191 CO 0.00 -0.42 0.73 -0.31 1.20 0.00 0.00 173.24 174.43 1k6q s TYR 192 N 0.12 3.88 -0.14 3.44 2.02 -0.96 0.29 117.35 126.00 1k6q s TYR 192 Ca 0.16 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.30 1k6q s TYR 192 Cb -0.19 -2.70 0.04 0.00 -0.40 0.00 0.00 41.96 38.71 1k6q s TYR 192 CO -0.04 0.53 0.36 0.99 -1.57 0.00 0.00 175.55 175.82 1k6q s THR 193 N -1.16 -0.01 -0.16 -0.71 2.01 -0.91 -1.93 115.64 112.77 1k6q s THR 193 Ca 0.34 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 1k6q s THR 193 Cb -0.22 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1k6q s THR 193 CO 0.24 0.02 -0.13 0.00 -0.69 0.00 0.00 174.62 174.06 1k6q s GLU 195 N 0.80 2.63 -0.01 0.00 2.02 0.32 -2.98 118.70 121.48 1k6q s GLU 195 Ca -0.05 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 53.96 1k6q s GLU 195 Cb -0.15 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1k6q s GLU 195 CO 0.01 0.47 -0.01 0.00 0.02 0.00 0.00 175.26 175.74 1k6q s ALA 196 N -1.72 0.21 -0.09 5.21 0.00 0.41 -0.67 121.76 125.11 1k6q s ALA 196 Ca 0.29 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1k6q s ALA 196 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1k6q s ALA 196 CO 0.21 0.01 -0.17 0.99 0.00 0.00 0.00 175.76 176.79 1k6q s THR 197 N 0.26 2.70 0.46 0.00 2.01 -1.00 -0.42 115.64 119.65 1k6q s THR 197 Ca -0.02 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.20 1k6q s THR 197 Cb -0.05 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1k6q s THR 197 CO -0.01 0.56 0.01 -2.84 -0.69 0.00 0.00 174.62 171.65 1k6q s PRO 204 N -0.02 2.07 -0.04 4.92 0.02 -1.26 -4.35 135.00 136.35 1k6q s PRO 204 Ca -0.05 -2.26 0.02 0.00 0.02 0.00 0.00 61.00 58.73 1k6q s PRO 204 Cb -0.14 -1.54 0.01 0.00 0.02 0.00 0.00 34.50 32.84 1k6q s PRO 204 CO 0.04 -0.22 -0.09 0.42 -0.33 0.00 0.00 177.00 176.82 1k6q s ILE 205 N -2.82 0.81 0.08 2.83 1.01 0.44 -5.16 121.20 118.39 1k6q s ILE 205 Ca 0.20 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1k6q s ILE 205 Cb 0.05 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1k6q s ILE 205 CO 0.10 0.27 -0.09 -0.69 0.00 0.00 0.00 174.94 174.53 1k6q s VAL 206 N 0.44 0.78 -0.22 2.92 1.01 -1.26 -0.45 120.40 123.63 1k6q s VAL 206 Ca -0.07 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 1k6q s VAL 206 Cb -0.11 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.12 1k6q s VAL 206 CO 0.01 -0.56 0.56 -0.54 0.00 0.00 0.00 175.10 174.56 1k6q s LYS 207 N -2.63 0.61 0.38 2.72 -0.14 -1.16 -5.04 119.74 114.47 1k6q s LYS 207 Ca 0.02 0.88 -0.08 0.00 -1.36 0.00 0.00 55.97 55.43 1k6q s LYS 207 Cb -0.03 0.21 0.03 0.00 -1.68 0.00 0.00 37.83 36.36 1k6q s LYS 207 CO -0.01 -0.11 0.64 -1.13 -0.76 0.00 0.00 175.35 173.98 1k6q n SER 208 N 3.43 -1.83 -3.49 2.83 3.41 -1.26 -2.07 113.62 114.64 1k6q n SER 208 Ca -0.17 -2.80 -0.15 0.00 -0.26 0.00 0.00 58.87 55.50 1k6q n SER 208 Cb 0.56 3.20 -0.04 0.00 -0.26 0.00 0.00 64.21 67.67 1k6q n SER 208 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1k6q s PHE 209 N -2.52 -0.58 -1.86 7.33 -0.71 -0.81 -5.02 117.98 113.80 1k6q s PHE 209 Ca 0.24 0.75 0.15 0.00 -1.04 0.00 0.00 56.93 57.03 1k6q s PHE 209 Cb -0.03 0.48 0.12 0.00 -1.21 0.00 0.00 43.02 42.37 1k6q s PHE 209 CO 0.17 -0.68 0.97 0.09 -1.34 0.00 0.00 175.22 174.43