#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obx s LYS 7 N 0.00 1.34 -0.77 -1.40 2.20 -1.26 -4.93 119.74 114.92 2obx s LYS 7 Ca 0.00 0.82 -0.20 0.00 -0.36 0.00 0.00 55.97 56.23 2obx s LYS 7 Cb 0.00 -1.82 0.11 0.00 -1.51 0.00 0.00 37.83 34.61 2obx s LYS 7 CO 0.00 -2.18 0.97 0.34 -0.36 0.00 0.00 175.35 174.12 2obx s ASP 8 N -3.45 6.39 -0.04 1.43 -1.08 -1.26 -4.45 116.67 114.22 2obx s ASP 8 Ca 0.63 -1.61 0.05 0.00 -0.52 0.00 0.00 52.55 51.11 2obx s ASP 8 Cb -0.18 -2.38 0.08 0.00 -1.46 0.00 0.00 42.92 38.99 2obx s ASP 8 CO 0.57 -1.18 0.93 -1.22 0.52 0.00 0.00 175.17 174.79 2obx n TYR 9 N 6.77 0.00 -3.41 -5.34 4.02 -1.26 -5.06 117.16 112.87 2obx n TYR 9 Ca 0.08 -0.41 -0.24 0.00 -0.01 0.00 0.00 57.90 57.31 2obx n TYR 9 Cb 0.46 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.70 2obx n TYR 9 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2obx s GLU 10 N -1.06 3.50 -0.10 -0.72 2.02 -1.26 -5.11 118.70 115.97 2obx s GLU 10 Ca 0.09 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 2obx s GLU 10 Cb 0.08 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 2obx s GLU 10 CO 0.01 0.17 -0.04 0.99 0.02 0.00 0.00 175.26 176.41 2obx s THR 11 N -2.27 3.88 -0.19 3.63 2.01 -1.26 -4.83 115.64 116.62 2obx s THR 11 Ca 0.40 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2obx s THR 11 Cb -0.10 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 2obx s THR 11 CO 0.35 0.57 0.03 -0.69 -0.69 0.00 0.00 174.62 174.19 2obx s VAL 12 N -0.46 4.35 0.02 3.82 1.01 -1.01 -4.97 120.40 123.16 2obx s VAL 12 Ca 0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2obx s VAL 12 Cb -0.12 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 2obx s VAL 12 CO 0.02 0.44 0.50 -0.13 0.00 0.00 0.00 175.10 175.93 2obx s ARG 13 N 0.72 4.11 -0.14 2.72 0.52 -1.26 -1.44 118.95 124.19 2obx s ARG 13 Ca 0.02 0.59 0.03 0.00 -0.52 0.00 0.00 55.73 55.84 2obx s ARG 13 Cb -0.14 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.08 2obx s ARG 13 CO 0.02 0.59 -0.22 0.42 0.02 0.00 0.00 175.30 176.13 2obx s ILE 14 N -0.86 2.06 -0.15 1.52 1.09 0.35 -0.47 121.20 124.75 2obx s ILE 14 Ca 0.27 -0.98 -0.06 0.00 -1.10 0.00 0.00 60.65 58.77 2obx s ILE 14 Cb -0.18 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.36 2obx s ILE 14 CO 0.16 0.55 0.08 0.00 -0.10 0.00 0.00 174.94 175.63 2obx s ALA 15 N 0.76 3.56 -0.20 9.38 0.00 -0.88 -1.29 121.76 133.09 2obx s ALA 15 Ca -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2obx s ALA 15 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 2obx s ALA 15 CO -0.01 0.40 -0.06 0.08 0.00 0.00 0.00 175.76 176.17 2obx s VAL 16 N -0.32 3.32 -0.61 0.00 1.01 0.71 -0.14 120.40 124.38 2obx s VAL 16 Ca 0.09 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2obx s VAL 16 Cb -0.12 -2.49 0.16 0.00 0.00 0.00 0.00 36.38 33.93 2obx s VAL 16 CO 0.01 0.45 0.48 -0.69 0.00 0.00 0.00 175.10 175.36 2obx s VAL 17 N 1.18 4.41 -0.08 2.92 1.01 0.59 0.10 120.40 130.52 2obx s VAL 17 Ca 0.02 -2.33 -0.14 0.00 0.00 0.00 0.00 61.98 59.54 2obx s VAL 17 Cb -0.14 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2obx s VAL 17 CO -0.02 -0.87 0.35 0.00 0.00 0.00 0.00 175.10 174.56 2obx s ARG 18 N 0.62 4.02 0.78 2.72 1.70 -0.74 -1.71 118.95 126.33 2obx s ARG 18 Ca 0.12 0.25 -0.12 0.00 -0.47 0.00 0.00 55.73 55.52 2obx s ARG 18 Cb -0.20 -3.31 0.06 0.00 -0.57 0.00 0.00 34.95 30.93 2obx s ARG 18 CO -0.04 0.49 1.13 0.00 -1.08 0.00 0.00 175.30 175.81 2obx s ALA 19 N -0.37 2.59 -0.50 7.88 0.00 0.16 -1.89 121.76 129.62 2obx s ALA 19 Ca 0.21 -0.46 0.15 0.00 0.00 0.00 0.00 51.96 51.85 2obx s ALA 19 Cb -0.15 -3.01 -0.18 0.00 0.00 0.00 0.00 23.12 19.78 2obx s ALA 19 CO 0.09 -1.55 0.54 0.54 0.00 0.00 0.00 175.76 175.38 2obx n ARG 20 N -3.27 1.63 -2.06 0.00 5.12 -0.27 -4.70 116.66 113.11 2obx n ARG 20 Ca 0.07 -0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 2obx n ARG 20 Cb 0.59 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.61 2obx n ARG 20 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2obx s TRP 21 N -2.59 3.15 -1.34 -1.55 0.52 -1.23 -1.51 118.94 114.40 2obx s TRP 21 Ca 0.02 0.84 -0.08 0.00 0.02 0.00 0.00 56.10 56.90 2obx s TRP 21 Cb 0.11 -3.79 0.01 0.00 -1.15 0.00 0.00 33.47 28.64 2obx s TRP 21 CO 0.62 -2.82 1.03 0.72 0.02 0.00 0.00 176.95 176.52 2obx n HIS 22 N 3.72 -2.60 -0.32 -1.98 8.25 -1.26 -4.54 115.22 116.48 2obx n HIS 22 Ca 0.12 0.89 0.16 0.00 -0.26 0.00 0.00 57.72 58.63 2obx n HIS 22 Cb 0.40 -4.78 0.36 0.00 1.12 0.00 0.00 29.99 27.10 2obx n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2obx h ALA 23 N 0.97 1.63 -0.41 -1.41 0.00 -1.55 -1.19 119.26 117.30 2obx h ALA 23 Ca -0.54 0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2obx h ALA 23 Cb 1.35 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 2obx h ALA 23 CO 0.54 -0.36 -0.56 0.22 0.00 0.00 0.00 179.25 179.09 2obx h ASP 24 N 0.44 -1.86 -0.18 0.00 1.82 -1.88 0.20 116.42 114.96 2obx h ASP 24 Ca 0.62 0.24 -0.05 0.00 -0.39 0.00 0.00 57.03 57.45 2obx h ASP 24 Cb 1.22 0.76 -0.00 0.00 0.68 0.00 0.00 39.33 41.99 2obx h ASP 24 CO -0.53 -0.41 -0.09 0.40 -1.61 0.00 0.00 179.24 177.00 2obx h ILE 25 N -0.40 1.31 -0.79 2.25 2.04 -1.64 -3.19 117.51 117.09 2obx h ILE 25 Ca 0.07 -1.15 0.08 0.00 1.00 0.00 0.00 64.86 64.87 2obx h ILE 25 Cb 0.60 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 2obx h ILE 25 CO -0.60 0.34 0.45 0.58 0.00 0.00 0.00 178.15 178.92 2obx h VAL 26 N 0.05 0.93 -0.57 1.67 2.07 -0.94 -1.93 116.25 117.54 2obx h VAL 26 Ca 0.04 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2obx h VAL 26 Cb 0.57 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2obx h VAL 26 CO 0.03 0.14 0.38 0.44 0.02 0.00 0.00 177.57 178.58 2obx h ASP 27 N 0.77 0.47 -0.23 0.57 3.45 -0.59 -0.29 116.42 120.57 2obx h ASP 27 Ca 0.37 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.81 2obx h ASP 27 Cb 0.31 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 2obx h ASP 27 CO -0.23 0.30 0.09 1.56 -1.57 0.00 0.00 179.24 179.39 2obx h GLN 28 N 0.53 0.42 -0.00 3.56 1.08 -1.36 -0.81 115.11 118.53 2obx h GLN 28 Ca 0.25 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.23 2obx h GLN 28 Cb 0.29 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2obx h GLN 28 CO -0.07 0.38 -0.75 0.00 -0.95 0.00 0.00 178.83 177.44 2obx h VAL 30 N 0.02 1.31 -0.50 0.00 2.07 -0.70 -2.33 116.25 116.12 2obx h VAL 30 Ca -0.01 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 2obx h VAL 30 Cb 1.32 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 2obx h VAL 30 CO 0.10 0.28 0.15 0.77 0.02 0.00 0.00 177.57 178.88 2obx h SER 31 N -0.51 0.74 0.13 0.57 4.64 -1.33 -1.34 113.55 116.46 2obx h SER 31 Ca -0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2obx h SER 31 Cb 0.48 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2obx h SER 31 CO 0.01 0.76 -0.11 0.00 -0.87 0.00 0.00 176.83 176.62 2obx h ALA 32 N 1.01 1.72 -0.00 5.18 0.00 -1.58 0.75 119.26 126.33 2obx h ALA 32 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2obx h ALA 32 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2obx h ALA 32 CO -0.00 0.14 -0.00 0.35 0.00 0.00 0.00 179.25 179.73 2obx h PHE 33 N 0.00 0.01 -0.60 0.00 3.57 -0.82 -1.99 116.94 117.11 2obx h PHE 33 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2obx h PHE 33 Cb 0.21 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2obx h PHE 33 CO 0.00 0.60 0.34 0.93 -2.23 0.00 0.00 178.31 177.94 2obx h GLU 34 N -0.58 0.83 0.59 1.11 5.08 -0.81 0.13 114.58 120.92 2obx h GLU 34 Ca -0.00 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2obx h GLU 34 Cb 0.60 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2obx h GLU 34 CO 0.00 0.62 -0.33 0.00 -1.00 0.00 0.00 179.01 178.30 2obx h ALA 35 N 1.16 -0.87 -0.29 3.43 0.00 -0.92 0.11 119.26 121.89 2obx h ALA 35 Ca 0.21 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2obx h ALA 35 Cb 0.03 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2obx h ALA 35 CO -0.04 -1.00 -0.06 0.93 0.00 0.00 0.00 179.25 179.08 2obx h GLU 36 N -0.86 0.01 -0.27 0.00 4.39 -1.24 0.17 114.58 116.78 2obx h GLU 36 Ca -0.07 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2obx h GLU 36 Cb 0.69 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.26 2obx h GLU 36 CO 0.09 0.00 -0.28 1.98 -1.16 0.00 0.00 179.01 179.65 2obx h MET 37 N 0.01 -0.26 -0.11 2.33 4.05 -0.55 0.85 114.93 121.25 2obx h MET 37 Ca 0.14 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2obx h MET 37 Cb 0.21 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2obx h MET 37 CO -0.29 -0.18 0.07 0.00 0.23 0.00 0.00 176.91 176.75 2obx h ALA 38 N 0.73 0.14 -0.53 0.39 0.00 -0.19 1.34 119.26 121.14 2obx h ALA 38 Ca 0.14 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2obx h ALA 38 Cb 0.50 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2obx h ALA 38 CO -0.42 -0.36 -0.06 0.22 0.00 0.00 0.00 179.25 178.63 2obx h ASP 39 N 0.13 -0.34 0.13 0.00 1.82 0.18 0.29 116.42 118.63 2obx h ASP 39 Ca 0.04 0.14 -0.36 0.00 -0.39 0.00 0.00 57.03 56.46 2obx h ASP 39 Cb 0.01 0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 2obx h ASP 39 CO -0.01 -0.12 -2.19 2.30 -1.61 0.00 0.00 179.24 177.61 2obx n ILE 40 N -5.30 1.54 0.00 2.25 -5.35 0.21 -4.59 119.36 108.12 2obx n ILE 40 Ca 0.06 -0.73 -0.19 0.00 -0.27 0.00 0.00 62.75 61.62 2obx n ILE 40 Cb 0.29 -1.09 -0.14 0.00 -1.74 0.00 0.00 39.64 36.97 2obx n ILE 40 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2obx h GLY 41 N 2.81 0.22 -3.11 3.28 0.00 0.18 -3.50 103.07 102.95 2obx h GLY 41 Ca -0.48 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.30 2obx h GLY 41 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2obx n GLY 42 N 1.65 0.00 4.49 4.60 0.00 0.10 -2.59 105.19 113.43 2obx n GLY 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2obx n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2obx n ASP 43 N 1.85 0.00 -0.35 1.61 5.68 -1.26 -4.65 116.55 119.44 2obx n ASP 43 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 2obx n ASP 43 Cb 0.00 -0.11 0.63 0.00 -1.14 0.00 0.00 41.12 40.50 2obx n ASP 43 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2obx n ARG 44 N -0.71 1.48 -3.81 0.11 1.85 -1.07 -4.77 116.66 109.74 2obx n ARG 44 Ca 0.00 -0.69 -0.11 0.00 -1.00 0.00 0.00 57.85 56.05 2obx n ARG 44 Cb 0.00 -1.48 -0.08 0.00 -1.05 0.00 0.00 32.46 29.85 2obx n ARG 44 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2obx s PHE 45 N -1.99 -0.01 -0.01 2.89 0.40 -1.26 -2.41 117.98 115.60 2obx s PHE 45 Ca 0.40 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 2obx s PHE 45 Cb 0.21 0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.77 2obx s PHE 45 CO 0.34 -0.45 0.01 0.00 0.70 0.00 0.00 175.22 175.82 2obx s ALA 46 N -2.49 0.09 -0.20 5.36 0.00 -0.52 -4.81 121.76 119.19 2obx s ALA 46 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 2obx s ALA 46 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2obx s ALA 46 CO -0.03 -0.04 -0.02 0.08 0.00 0.00 0.00 175.76 175.75 2obx s VAL 47 N 0.45 3.73 -0.19 0.00 1.01 -1.26 -0.49 120.40 123.66 2obx s VAL 47 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2obx s VAL 47 Cb -0.06 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2obx s VAL 47 CO -0.01 0.44 -0.07 -1.81 0.00 0.00 0.00 175.10 173.65 2obx s ASP 48 N 1.04 4.29 -0.22 3.32 1.01 -0.41 -4.99 116.67 120.70 2obx s ASP 48 Ca 0.01 -0.33 -0.09 0.00 0.71 0.00 0.00 52.55 52.84 2obx s ASP 48 Cb -0.14 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 2obx s ASP 48 CO 0.01 0.06 0.13 -0.69 0.21 0.00 0.00 175.17 174.88 2obx s VAL 49 N 1.00 5.17 -0.12 -1.27 1.01 -1.26 -0.20 120.40 124.72 2obx s VAL 49 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2obx s VAL 49 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2obx s VAL 49 CO -0.00 0.39 -0.21 -0.36 0.00 0.00 0.00 175.10 174.92 2obx s PHE 50 N 0.80 2.64 0.27 5.22 0.40 0.11 -4.95 117.98 122.48 2obx s PHE 50 Ca 0.06 -1.08 -0.22 0.00 -0.60 0.00 0.00 56.93 55.09 2obx s PHE 50 Cb -0.13 -1.78 -0.09 0.00 0.51 0.00 0.00 43.02 41.54 2obx s PHE 50 CO 0.02 -0.46 0.81 -0.51 0.70 0.00 0.00 175.22 175.78 2obx s ASP 51 N 0.53 7.14 -0.03 1.36 1.11 -1.26 -1.80 116.67 123.71 2obx s ASP 51 Ca -0.13 1.57 -0.06 0.00 0.18 0.00 0.00 52.55 54.11 2obx s ASP 51 Cb -0.17 -2.48 0.01 0.00 1.07 0.00 0.00 42.92 41.35 2obx s ASP 51 CO 0.05 -0.03 0.14 -0.69 1.18 0.00 0.00 175.17 175.82 2obx s VAL 52 N -1.60 0.04 0.06 -1.27 1.01 -0.79 -4.94 120.40 112.91 2obx s VAL 52 Ca 0.47 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 2obx s VAL 52 Cb -0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.83 2obx s VAL 52 CO 0.21 -0.17 1.31 -0.65 0.00 0.00 0.00 175.10 175.80 2obx h PRO 53 N 5.22 -0.35 -4.20 2.72 0.11 -1.94 -0.71 132.00 132.85 2obx h PRO 53 Ca -0.28 0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.71 2obx h PRO 53 Cb 1.20 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 2obx h PRO 53 CO 0.41 -0.23 -0.49 0.20 -0.21 0.00 0.00 178.00 177.68 2obx s GLY 54 N -1.70 0.83 0.39 -0.55 0.00 -1.26 -2.47 107.32 102.55 2obx s GLY 54 Ca -0.09 -1.24 0.22 0.00 0.00 0.00 0.00 44.72 43.61 2obx s GLY 54 CO 0.34 -1.12 1.64 0.00 0.00 0.00 0.00 173.10 173.96 2obx h ALA 55 N 2.68 2.31 -0.03 3.20 0.00 -1.93 0.48 119.26 125.96 2obx h ALA 55 Ca -0.33 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2obx h ALA 55 Cb 1.22 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2obx h ALA 55 CO 0.53 -0.94 0.03 -0.92 0.00 0.00 0.00 179.25 177.94 2obx h TYR 56 N 0.19 0.00 0.00 0.00 3.20 -1.96 -1.74 116.97 116.66 2obx h TYR 56 Ca 0.77 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.64 2obx h TYR 56 Cb 2.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.37 2obx h TYR 56 CO -0.01 0.00 -0.13 0.39 -1.64 0.00 0.00 178.16 176.78 2obx n GLU 57 N -4.27 0.06 -0.05 1.82 4.71 0.17 -4.26 120.64 118.82 2obx n GLU 57 Ca -0.02 0.04 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 2obx n GLU 57 Cb 0.12 -1.56 -0.04 0.00 -1.01 0.00 0.00 31.44 28.95 2obx n GLU 57 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2obx h ILE 58 N 0.00 1.09 0.29 -3.67 2.04 -1.37 -2.91 117.51 112.97 2obx h ILE 58 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2obx h ILE 58 Cb 0.56 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2obx h ILE 58 CO 0.00 0.08 -0.37 -0.65 0.00 0.00 0.00 178.15 177.21 2obx h PRO 59 N 0.24 -0.68 -0.90 2.37 0.11 -1.76 0.30 132.00 131.67 2obx h PRO 59 Ca 0.07 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.29 2obx h PRO 59 Cb 0.03 0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.24 2obx h PRO 59 CO -0.01 -0.46 0.59 1.25 -0.21 0.00 0.00 178.00 179.16 2obx h LEU 60 N -0.71 0.91 -0.15 2.35 5.85 -1.84 0.04 115.31 121.76 2obx h LEU 60 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2obx h LEU 60 Cb 0.67 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2obx h LEU 60 CO -0.12 0.60 0.00 -0.74 -0.34 0.00 0.00 178.44 177.84 2obx h HIS 61 N 1.04 0.29 -0.54 1.25 2.76 -1.25 -1.63 115.15 117.08 2obx h HIS 61 Ca 0.38 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.58 2obx h HIS 61 Cb 0.16 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2obx h HIS 61 CO -0.00 0.48 0.36 0.00 -1.30 0.00 0.00 177.93 177.47 2obx h ALA 62 N 0.77 1.96 -0.07 5.26 0.00 0.26 -1.97 119.26 125.47 2obx h ALA 62 Ca 0.04 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2obx h ALA 62 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2obx h ALA 62 CO 0.01 -0.07 -0.89 -0.09 0.00 0.00 0.00 179.25 178.21 2obx h ARG 63 N 0.42 0.65 -0.25 0.00 2.43 -0.61 -0.79 114.38 116.23 2obx h ARG 63 Ca 0.24 -0.61 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 2obx h ARG 63 Cb 0.41 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2obx h ARG 63 CO -0.06 1.22 0.04 1.15 -1.51 0.00 0.00 179.97 180.81 2obx h THR 64 N 0.41 1.23 0.85 0.20 2.02 -0.70 -0.82 112.91 116.10 2obx h THR 64 Ca -0.08 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2obx h THR 64 Cb 1.52 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2obx h THR 64 CO 0.17 0.25 -0.47 -0.07 0.37 0.00 0.00 175.52 175.77 2obx h LEU 65 N 0.23 -1.17 -1.06 2.58 3.38 -1.43 -2.83 115.31 115.02 2obx h LEU 65 Ca 0.08 0.06 0.31 0.00 0.09 0.00 0.00 57.88 58.42 2obx h LEU 65 Cb 0.33 0.33 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 2obx h LEU 65 CO 0.01 -0.75 0.60 0.00 0.09 0.00 0.00 178.44 178.38 2obx h ALA 66 N -1.28 2.01 0.00 1.53 0.00 -1.08 0.20 119.26 120.64 2obx h ALA 66 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2obx h ALA 66 Cb 0.96 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2obx h ALA 66 CO 0.15 -0.59 0.00 0.39 0.00 0.00 0.00 179.25 179.20 2obx n GLU 67 N -4.97 0.08 0.19 0.00 1.02 -0.32 -2.85 120.64 113.80 2obx n GLU 67 Ca 0.31 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.56 2obx n GLU 67 Cb 0.97 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 31.17 2obx n GLU 67 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2obx h THR 68 N 0.00 0.70 0.00 2.62 1.35 -0.41 -3.47 112.91 113.70 2obx h THR 68 Ca 0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2obx h THR 68 Cb 0.41 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2obx h THR 68 CO 0.00 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2obx n GLY 69 N 0.57 0.77 0.13 5.82 0.00 -1.13 -4.92 105.19 106.43 2obx n GLY 69 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2obx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2obx n ARG 70 N -2.31 0.68 -4.72 1.61 1.74 -1.26 -4.87 116.66 107.52 2obx n ARG 70 Ca 0.00 -0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 56.55 2obx n ARG 70 Cb 0.00 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.80 2obx n ARG 70 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2obx s TYR 71 N -2.51 1.84 -0.48 -1.55 1.51 -1.26 -4.33 117.35 110.58 2obx s TYR 71 Ca 0.27 -0.37 0.24 0.00 -1.01 0.00 0.00 57.07 56.20 2obx s TYR 71 Cb 0.20 -1.11 0.27 0.00 -0.11 0.00 0.00 41.96 41.20 2obx s TYR 71 CO 0.49 0.07 1.32 0.78 -1.11 0.00 0.00 175.55 177.10 2obx h GLY 72 N 5.01 0.00 -4.26 0.71 0.00 -1.11 -3.48 103.07 99.95 2obx h GLY 72 Ca -0.42 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.00 2obx h GLY 72 CO 0.45 0.00 0.54 0.00 0.00 0.00 0.00 176.54 177.52 2obx s ALA 73 N -3.24 -1.92 -0.01 3.60 0.00 -1.24 -4.25 121.76 114.70 2obx s ALA 73 Ca 0.04 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.57 2obx s ALA 73 Cb 0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2obx s ALA 73 CO 0.72 -0.37 -0.20 0.08 0.00 0.00 0.00 175.76 175.99 2obx s VAL 74 N -1.43 1.57 -0.21 0.00 1.01 -0.02 -2.07 120.40 119.25 2obx s VAL 74 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2obx s VAL 74 Cb -0.01 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2obx s VAL 74 CO 0.00 0.44 -0.12 -0.22 0.00 0.00 0.00 175.10 175.20 2obx s LEU 75 N -0.48 2.60 -0.14 3.92 2.96 0.80 -0.28 118.68 128.05 2obx s LEU 75 Ca 0.08 -0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 2obx s LEU 75 Cb -0.08 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2obx s LEU 75 CO -0.01 -0.04 0.34 -0.83 -1.32 0.00 0.00 176.35 174.50 2obx s GLY 76 N 1.35 2.27 -0.02 7.98 0.00 -0.39 -0.30 107.32 118.20 2obx s GLY 76 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2obx s GLY 76 CO -0.08 0.49 0.02 -1.08 0.00 0.00 0.00 173.10 172.44 2obx s THR 77 N 0.41 0.04 0.21 0.90 -1.32 -0.69 0.07 115.64 115.25 2obx s THR 77 Ca 0.19 0.17 -0.22 0.00 -1.21 0.00 0.00 61.69 60.62 2obx s THR 77 Cb -0.14 -0.16 0.05 0.00 -1.51 0.00 0.00 72.50 70.74 2obx s THR 77 CO 0.06 0.12 0.67 0.00 -2.21 0.00 0.00 174.62 173.25 2obx s ALA 78 N 1.09 -1.43 -0.46 11.08 0.00 -1.19 -0.66 121.76 130.19 2obx s ALA 78 Ca -0.09 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2obx s ALA 78 Cb -0.13 0.85 0.12 0.00 0.00 0.00 0.00 23.12 23.97 2obx s ALA 78 CO -0.02 -0.90 0.20 0.12 0.00 0.00 0.00 175.76 175.16 2obx s PHE 79 N -3.80 3.02 -0.57 0.00 5.99 -1.26 -1.38 117.98 119.97 2obx s PHE 79 Ca 0.06 -2.93 -0.22 0.00 0.00 0.00 0.00 56.93 53.84 2obx s PHE 79 Cb -0.03 -2.62 0.06 0.00 0.00 0.00 0.00 43.02 40.42 2obx s PHE 79 CO -0.03 -0.80 0.84 0.08 -0.00 0.00 0.00 175.22 175.31 2obx s VAL 80 N 0.17 4.54 0.45 3.12 1.01 -0.19 -4.90 120.40 124.61 2obx s VAL 80 Ca 0.15 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.99 2obx s VAL 80 Cb -0.24 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 2obx s VAL 80 CO -0.03 -1.12 0.33 0.68 0.00 0.00 0.00 175.10 174.96 2obx s VAL 81 N 3.51 2.33 -0.44 2.92 -7.23 -1.26 -4.09 120.40 116.14 2obx s VAL 81 Ca 0.22 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.79 2obx s VAL 81 Cb -0.17 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.04 2obx s VAL 81 CO 0.14 0.00 0.33 0.21 -0.31 0.00 0.00 175.10 175.46 2obx s ASN 82 N -4.11 5.98 0.00 4.85 3.84 -1.26 -4.67 114.94 119.57 2obx s ASN 82 Ca 0.43 -1.26 0.25 0.00 0.21 0.00 0.00 52.86 52.49 2obx s ASN 82 Cb -0.01 -2.12 1.11 0.00 -0.55 0.00 0.00 41.25 39.68 2obx s ASN 82 CO 0.25 -0.56 1.81 0.61 -2.79 0.00 0.00 177.10 176.42 2obx n GLY 83 N 5.11 -1.32 0.87 1.21 0.00 -1.26 -4.71 105.19 105.09 2obx n GLY 83 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2obx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obx n GLY 84 N 1.05 0.77 1.36 -0.02 0.00 -1.26 -4.91 105.19 102.18 2obx n GLY 84 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2obx n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2obx n ILE 85 N -2.44 0.18 -4.33 -0.61 5.41 -1.26 -5.10 119.36 111.22 2obx n ILE 85 Ca 0.00 0.06 -0.24 0.00 1.00 0.00 0.00 62.75 63.58 2obx n ILE 85 Cb 0.00 -1.16 -0.08 0.00 -0.71 0.00 0.00 39.64 37.69 2obx n ILE 85 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2obx s TYR 86 N -2.00 2.58 0.07 1.39 1.51 -1.26 -5.11 117.35 114.53 2obx s TYR 86 Ca 0.00 -0.30 -0.26 0.00 -1.01 0.00 0.00 57.07 55.49 2obx s TYR 86 Cb 0.00 -1.25 -0.06 0.00 -0.11 0.00 0.00 41.96 40.55 2obx s TYR 86 CO 0.00 0.59 0.82 1.03 -1.11 0.00 0.00 175.55 176.88 2obx s ARG 87 N -3.66 4.56 0.00 -0.62 0.52 -1.26 -4.51 118.95 113.98 2obx s ARG 87 Ca 0.32 1.18 0.22 0.00 -0.52 0.00 0.00 55.73 56.94 2obx s ARG 87 Cb -0.04 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 2obx s ARG 87 CO 0.19 0.27 1.03 -2.39 0.02 0.00 0.00 175.30 174.43 2obx n HIS 88 N 2.75 0.00 0.04 -0.53 1.44 -1.26 -4.59 115.22 113.07 2obx n HIS 88 Ca -0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.59 2obx n HIS 88 Cb 0.50 -0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.55 2obx n HIS 88 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2obx h GLU 89 N 1.34 -0.13 -0.59 -1.40 3.07 -1.93 -2.18 114.58 112.76 2obx h GLU 89 Ca 0.00 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 2obx h GLU 89 Cb 0.64 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.51 2obx h GLU 89 CO 0.00 -0.09 0.24 0.74 -1.40 0.00 0.00 179.01 178.51 2obx h PHE 90 N -0.14 0.43 0.23 4.33 -1.00 -1.99 0.13 116.94 118.94 2obx h PHE 90 Ca 0.04 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 2obx h PHE 90 Cb 0.18 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2obx h PHE 90 CO -0.15 0.15 -0.11 0.28 -1.61 0.00 0.00 178.31 176.86 2obx h VAL 91 N 0.45 0.84 -0.72 -0.55 2.07 -1.85 -0.67 116.25 115.83 2obx h VAL 91 Ca 0.29 -0.58 0.14 0.00 0.82 0.00 0.00 66.70 67.37 2obx h VAL 91 Cb 0.31 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.15 2obx h VAL 91 CO -0.26 0.12 0.22 0.00 0.02 0.00 0.00 177.57 177.68 2obx h ALA 92 N 0.07 0.96 -0.56 1.67 0.00 -1.12 0.26 119.26 120.54 2obx h ALA 92 Ca -0.03 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2obx h ALA 92 Cb 0.44 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2obx h ALA 92 CO 0.05 -0.28 -0.05 1.03 0.00 0.00 0.00 179.25 180.00 2obx h SER 93 N 0.34 1.00 0.10 0.00 0.87 -0.65 -1.42 113.55 113.79 2obx h SER 93 Ca 0.40 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2obx h SER 93 Cb 0.63 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2obx h SER 93 CO -0.44 1.08 -0.48 0.00 -0.53 0.00 0.00 176.83 176.46 2obx h ALA 94 N 1.01 0.86 -0.24 6.23 0.00 0.55 -0.34 119.26 127.33 2obx h ALA 94 Ca 0.15 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2obx h ALA 94 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2obx h ALA 94 CO 0.04 0.66 -0.29 0.28 0.00 0.00 0.00 179.25 179.94 2obx h VAL 95 N 0.35 1.32 -0.41 0.00 2.07 -0.44 0.34 116.25 119.48 2obx h VAL 95 Ca 0.02 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 2obx h VAL 95 Cb 0.97 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2obx h VAL 95 CO 0.09 0.46 -0.03 0.40 0.02 0.00 0.00 177.57 178.51 2obx h ILE 96 N 0.33 1.27 -0.35 4.57 5.03 -1.19 -2.13 117.51 125.04 2obx h ILE 96 Ca 0.03 -1.07 -0.16 0.00 -0.12 0.00 0.00 64.86 63.55 2obx h ILE 96 Cb 0.86 1.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.78 2obx h ILE 96 CO 0.07 0.36 -0.40 0.44 -0.68 0.00 0.00 178.15 177.94 2obx h ASP 97 N 0.57 0.93 -0.68 1.72 3.32 -1.06 -3.12 116.42 118.10 2obx h ASP 97 Ca 0.11 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.77 2obx h ASP 97 Cb 0.52 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2obx h ASP 97 CO 0.03 1.21 0.42 1.23 -1.72 0.00 0.00 179.24 180.41 2obx h GLY 98 N 0.83 0.98 0.87 2.75 0.00 -0.19 0.52 103.07 108.83 2obx h GLY 98 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2obx h GLY 98 CO 0.09 0.26 0.06 -0.33 0.00 0.00 0.00 176.54 176.63 2obx h MET 99 N 0.82 0.24 -0.93 4.80 2.86 -1.41 0.30 114.93 121.61 2obx h MET 99 Ca 0.28 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.97 2obx h MET 99 Cb 0.03 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.58 2obx h MET 99 CO -0.11 0.34 0.59 1.98 1.06 0.00 0.00 176.91 180.77 2obx h MET 100 N 0.08 0.89 -0.28 1.72 -1.53 -1.42 0.10 114.93 114.50 2obx h MET 100 Ca 0.05 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 2obx h MET 100 Cb 0.19 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 2obx h MET 100 CO -0.00 0.59 0.17 -0.97 0.14 0.00 0.00 176.91 176.84 2obx h ASN 101 N 0.91 0.30 0.67 1.39 -0.73 -0.06 -2.16 115.58 115.89 2obx h ASN 101 Ca 0.44 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.57 2obx h ASN 101 Cb 0.44 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.97 2obx h ASN 101 CO -0.20 0.21 -0.32 0.58 -0.37 0.00 0.00 177.43 177.33 2obx h VAL 102 N 0.36 0.30 -0.71 2.57 2.07 0.12 -1.93 116.25 119.02 2obx h VAL 102 Ca 0.10 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.61 2obx h VAL 102 Cb -0.03 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 2obx h VAL 102 CO -0.03 0.02 0.47 0.06 0.02 0.00 0.00 177.57 178.11 2obx h GLN 103 N -0.99 0.49 -0.06 1.57 3.07 -0.93 0.36 115.11 118.62 2obx h GLN 103 Ca -0.09 -0.03 -0.21 0.00 0.09 0.00 0.00 58.65 58.41 2obx h GLN 103 Cb 0.71 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2obx h GLN 103 CO 0.15 0.32 -0.82 -0.07 0.09 0.00 0.00 178.83 178.50 2obx h LEU 104 N 0.50 0.61 -0.01 0.06 3.38 -1.30 0.59 115.31 119.15 2obx h LEU 104 Ca 0.34 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2obx h LEU 104 Cb 0.63 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2obx h LEU 104 CO -0.11 1.20 -0.17 0.77 0.09 0.00 0.00 178.44 180.22 2obx h SER 105 N 0.32 0.18 0.84 -0.43 4.64 -0.41 -3.31 113.55 115.37 2obx h SER 105 Ca -0.05 -0.73 -0.23 0.00 -0.47 0.00 0.00 61.79 60.31 2obx h SER 105 Cb 1.43 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 2obx h SER 105 CO 0.15 0.88 -1.05 0.71 -0.87 0.00 0.00 176.83 176.65 2obx h THR 106 N -0.51 1.63 0.00 2.95 1.35 -0.43 -3.47 112.91 114.42 2obx h THR 106 Ca -0.02 -3.20 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 2obx h THR 106 Cb 0.89 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 2obx h THR 106 CO 0.03 0.92 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 2obx n GLY 107 N 1.32 1.12 3.74 5.82 0.00 0.21 -5.03 105.19 112.37 2obx n GLY 107 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2obx n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2obx s VAL 108 N -2.88 5.03 0.25 1.61 1.01 -1.20 -4.96 120.40 119.27 2obx s VAL 108 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 2obx s VAL 108 Cb 0.00 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 2obx s VAL 108 CO 0.00 0.34 1.52 -2.84 0.00 0.00 0.00 175.10 174.12 2obx s PRO 109 N 0.36 4.20 -0.22 2.72 0.02 -1.26 -4.20 135.00 136.62 2obx s PRO 109 Ca 0.32 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2obx s PRO 109 Cb -0.17 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.32 2obx s PRO 109 CO 0.15 -0.53 -0.06 0.08 -0.33 0.00 0.00 177.00 176.31 2obx s VAL 110 N 0.21 1.43 0.18 3.83 1.01 -1.26 -0.84 120.40 124.96 2obx s VAL 110 Ca 0.63 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 2obx s VAL 110 Cb -0.45 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 2obx s VAL 110 CO 0.43 -0.03 0.62 -0.76 0.00 0.00 0.00 175.10 175.36 2obx s LEU 111 N 1.46 4.33 -0.26 3.92 1.02 0.61 -4.93 118.68 124.83 2obx s LEU 111 Ca -0.04 1.21 -0.09 0.00 0.02 0.00 0.00 54.13 55.23 2obx s LEU 111 Cb -0.18 -3.43 -0.04 0.00 0.02 0.00 0.00 46.19 42.57 2obx s LEU 111 CO -0.07 0.06 0.13 -0.55 0.02 0.00 0.00 176.35 175.94 2obx s SER 112 N -1.72 5.66 -0.10 2.29 0.15 -1.26 -1.26 113.70 117.45 2obx s SER 112 Ca 0.40 -0.06 0.14 0.00 0.70 0.00 0.00 55.95 57.13 2obx s SER 112 Cb -0.15 -2.03 0.25 0.00 -1.71 0.00 0.00 66.02 62.37 2obx s SER 112 CO 0.20 -0.01 1.13 0.00 1.20 0.00 0.00 173.24 175.75 2obx n ALA 113 N 4.79 2.40 -2.65 5.45 0.00 0.11 -4.98 120.51 125.64 2obx n ALA 113 Ca -0.15 -2.32 -0.43 0.00 0.00 0.00 0.00 53.44 50.54 2obx n ALA 113 Cb 0.52 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2obx n ALA 113 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2obx s VAL 114 N -2.08 4.41 -0.03 0.00 1.01 -1.21 -3.14 120.40 119.36 2obx s VAL 114 Ca 0.25 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2obx s VAL 114 Cb 0.23 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2obx s VAL 114 CO -0.00 -1.08 -0.04 -0.76 0.00 0.00 0.00 175.10 173.22 2obx s LEU 115 N 3.89 3.33 -0.25 3.92 2.01 -0.48 -4.91 118.68 126.19 2obx s LEU 115 Ca 0.30 -0.03 0.01 0.00 0.01 0.00 0.00 54.13 54.43 2obx s LEU 115 Cb -0.13 -1.84 0.06 0.00 0.01 0.00 0.00 46.19 44.30 2obx s LEU 115 CO 0.19 0.32 -0.05 -0.89 1.01 0.00 0.00 176.35 176.93 2obx s THR 116 N -0.95 1.68 0.61 5.49 2.01 -1.26 -1.02 115.64 122.20 2obx s THR 116 Ca 0.16 -1.40 -0.10 0.00 0.31 0.00 0.00 61.69 60.66 2obx s THR 116 Cb -0.11 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2obx s THR 116 CO 0.06 -0.15 1.00 -2.16 -0.69 0.00 0.00 174.62 172.68 2obx s PRO 117 N 1.31 3.51 0.07 4.92 0.04 -1.26 -4.99 135.00 138.60 2obx s PRO 117 Ca -0.05 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 61.42 2obx s PRO 117 Cb -0.19 -2.12 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 2obx s PRO 117 CO -0.07 -0.57 1.55 0.45 0.04 0.00 0.00 177.00 178.40 2obx h HIS 118 N -0.28 0.21 -3.35 0.56 3.86 -2.00 -3.43 115.15 110.71 2obx h HIS 118 Ca -0.44 -0.02 -0.38 0.00 -1.16 0.00 0.00 60.37 58.36 2obx h HIS 118 Cb 1.20 -0.06 -0.37 0.00 1.06 0.00 0.00 27.41 29.24 2obx h HIS 118 CO 0.63 0.36 -0.75 -0.80 0.86 0.00 0.00 177.93 178.23 2obx s ASN 119 N -5.60 1.05 -0.08 2.45 -0.87 -1.26 -4.97 114.94 105.65 2obx s ASN 119 Ca -0.14 -0.01 -0.02 0.00 -1.57 0.00 0.00 52.86 51.12 2obx s ASN 119 Cb 0.06 -0.26 0.03 0.00 -0.02 0.00 0.00 41.25 41.06 2obx s ASN 119 CO 0.70 -0.19 0.03 -0.47 -2.57 0.00 0.00 177.10 174.61 2obx s TYR 120 N 1.74 0.43 -0.37 2.20 5.04 -1.26 -5.04 117.35 120.09 2obx s TYR 120 Ca 0.00 -0.08 0.10 0.00 -2.44 0.00 0.00 57.07 54.65 2obx s TYR 120 Cb -0.13 -0.69 0.44 0.00 0.35 0.00 0.00 41.96 41.94 2obx s TYR 120 CO -0.03 -0.32 1.08 0.72 -1.34 0.00 0.00 175.55 175.66 2obx n HIS 121 N 5.21 2.59 -3.58 4.97 8.25 -1.26 -4.70 115.22 126.70 2obx n HIS 121 Ca -0.06 -2.83 -0.07 0.00 -0.26 0.00 0.00 57.72 54.51 2obx n HIS 121 Cb 0.50 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2obx n HIS 121 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2obx n ASP 122 N -0.42 -0.63 -4.58 0.41 5.75 -1.26 -4.91 116.55 110.92 2obx n ASP 122 Ca 0.30 -0.19 -0.27 0.00 -0.01 0.00 0.00 54.79 54.62 2obx n ASP 122 Cb 0.76 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2obx n ASP 122 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2obx s SER 123 N -4.30 3.69 0.10 -1.12 1.04 -1.26 -4.95 113.70 106.90 2obx s SER 123 Ca 0.06 -1.32 -0.33 0.00 0.48 0.00 0.00 55.95 54.83 2obx s SER 123 Cb -0.03 -0.36 -0.13 0.00 0.10 0.00 0.00 66.02 65.60 2obx s SER 123 CO 0.14 -0.40 1.57 0.00 0.98 0.00 0.00 173.24 175.54 2obx h ALA 124 N 1.87 -0.91 -0.66 5.32 0.00 -1.99 0.17 119.26 123.07 2obx h ALA 124 Ca -0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 2obx h ALA 124 Cb 1.24 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2obx h ALA 124 CO 0.77 -1.07 0.20 0.93 0.00 0.00 0.00 179.25 180.08 2obx h GLU 125 N -0.77 1.02 0.70 0.00 3.07 -1.98 0.87 114.58 117.50 2obx h GLU 125 Ca -0.01 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 2obx h GLU 125 Cb 0.75 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2obx h GLU 125 CO -0.21 0.90 -0.48 0.45 -1.40 0.00 0.00 179.01 178.26 2obx h HIS 126 N 0.95 -1.31 -0.58 4.33 3.86 -1.90 0.34 115.15 120.85 2obx h HIS 126 Ca 0.21 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.53 2obx h HIS 126 Cb 0.30 0.48 -0.09 0.00 1.06 0.00 0.00 27.41 29.16 2obx h HIS 126 CO 0.02 -0.70 0.09 1.25 0.86 0.00 0.00 177.93 179.45 2obx h HIS 127 N -1.13 0.13 -0.61 2.45 6.17 -0.56 -1.54 115.15 120.05 2obx h HIS 127 Ca -0.09 0.04 -0.05 0.00 0.71 0.00 0.00 60.37 60.97 2obx h HIS 127 Cb 0.92 0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.86 2obx h HIS 127 CO -0.14 -0.06 0.18 -0.09 0.71 0.00 0.00 177.93 178.52 2obx h ARG 128 N 0.21 0.96 0.31 5.26 2.43 -0.63 0.14 114.38 123.07 2obx h ARG 128 Ca 0.30 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2obx h ARG 128 Cb 0.46 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2obx h ARG 128 CO -0.42 0.86 -0.30 0.35 -1.51 0.00 0.00 179.97 178.95 2obx h PHE 129 N 0.88 -0.81 0.00 2.20 3.57 0.64 -2.01 116.94 121.41 2obx h PHE 129 Ca 0.20 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2obx h PHE 129 Cb 0.31 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2obx h PHE 129 CO 0.02 -0.44 -0.26 0.74 -2.23 0.00 0.00 178.31 176.14 2obx h PHE 130 N -0.64 0.00 -0.64 0.41 -1.00 -1.29 0.75 116.94 114.54 2obx h PHE 130 Ca -0.01 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 2obx h PHE 130 Cb 0.58 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 2obx h PHE 130 CO -0.18 0.26 0.12 0.35 -1.61 0.00 0.00 178.31 177.25 2obx h PHE 131 N 0.00 1.11 0.04 -0.55 3.57 -0.51 -1.53 116.94 119.07 2obx h PHE 131 Ca -0.00 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 2obx h PHE 131 Cb 0.85 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2obx h PHE 131 CO 0.00 0.94 -0.02 0.93 -2.23 0.00 0.00 178.31 177.93 2obx h GLU 132 N 0.96 -0.05 -0.29 1.11 5.08 -1.12 -3.33 114.58 116.94 2obx h GLU 132 Ca 0.20 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2obx h GLU 132 Cb 0.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2obx h GLU 132 CO 0.01 0.61 0.20 1.25 -1.00 0.00 0.00 179.01 180.08 2obx h HIS 133 N -0.86 0.19 0.00 4.33 2.76 -0.87 -1.93 115.15 118.77 2obx h HIS 133 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2obx h HIS 133 Cb 0.69 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 2obx h HIS 133 CO 0.17 0.11 -0.02 0.74 -1.30 0.00 0.00 177.93 177.62 2obx h PHE 134 N 0.19 0.00 -0.43 5.26 -1.00 -1.39 0.62 116.94 120.19 2obx h PHE 134 Ca 0.13 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.81 2obx h PHE 134 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 2obx h PHE 134 CO -0.00 0.02 -0.11 1.79 -1.61 0.00 0.00 178.31 178.41 2obx h THR 135 N 0.00 1.26 -0.60 -1.55 1.35 -1.50 -0.72 112.91 111.15 2obx h THR 135 Ca -0.00 -1.17 0.03 0.00 -0.55 0.00 0.00 66.41 64.73 2obx h THR 135 Cb 0.04 1.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 2obx h THR 135 CO 0.00 0.40 0.35 0.58 -0.25 0.00 0.00 175.52 176.60 2obx h VAL 136 N 0.71 1.04 -0.14 6.82 2.07 -0.99 -1.86 116.25 123.90 2obx h VAL 136 Ca 0.12 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2obx h VAL 136 Cb 0.59 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2obx h VAL 136 CO 0.04 0.13 -0.29 0.11 0.02 0.00 0.00 177.57 177.58 2obx h LYS 137 N 0.69 0.25 -0.46 1.57 1.79 -0.93 -2.64 116.57 116.85 2obx h LYS 137 Ca 0.25 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.57 2obx h LYS 137 Cb 0.06 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 2obx h LYS 137 CO -0.12 0.52 0.07 0.78 -1.08 0.00 0.00 179.45 179.63 2obx h GLY 138 N 1.02 0.81 1.04 3.86 0.00 -0.36 -0.67 103.07 108.78 2obx h GLY 138 Ca 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2obx h GLY 138 CO 0.05 0.50 0.40 0.07 0.00 0.00 0.00 176.54 177.56 2obx h LYS 139 N 0.62 1.21 -0.73 4.80 5.09 -1.27 -1.67 116.57 124.63 2obx h LYS 139 Ca 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 60.65 60.66 2obx h LYS 139 Cb 0.39 -0.22 -0.03 0.00 0.10 0.00 0.00 32.23 32.47 2obx h LYS 139 CO 0.01 0.94 0.32 0.93 -2.09 0.00 0.00 179.45 179.56 2obx h GLU 140 N 1.20 1.08 -0.64 0.07 5.08 -1.21 -2.36 114.58 117.79 2obx h GLU 140 Ca 0.29 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2obx h GLU 140 Cb 0.13 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2obx h GLU 140 CO -0.04 0.86 0.40 0.00 -1.00 0.00 0.00 179.01 179.24 2obx h ALA 141 N 1.16 0.83 0.88 3.43 0.00 -0.44 -0.91 119.26 124.21 2obx h ALA 141 Ca 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2obx h ALA 141 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2obx h ALA 141 CO -0.03 0.16 -0.49 0.00 0.00 0.00 0.00 179.25 178.89 2obx h ALA 142 N 1.27 -1.31 -0.98 0.00 0.00 -1.00 0.21 119.26 117.45 2obx h ALA 142 Ca 0.25 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2obx h ALA 142 Cb -0.00 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2obx h ALA 142 CO -0.09 -1.25 0.62 0.00 0.00 0.00 0.00 179.25 178.53 2obx h ARG 143 N -1.27 0.83 -0.20 0.00 3.08 -1.34 0.13 114.38 115.61 2obx h ARG 143 Ca -0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2obx h ARG 143 Cb 1.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2obx h ARG 143 CO 0.15 0.55 0.07 0.00 -1.07 0.00 0.00 179.97 179.67 2obx h ALA 144 N 1.58 0.26 -0.20 0.04 0.00 -0.86 -0.08 119.26 120.00 2obx h ALA 144 Ca 0.51 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.31 2obx h ALA 144 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2obx h ALA 144 CO -0.29 -0.14 0.11 0.00 0.00 0.00 0.00 179.25 178.94 2obx h VAL 146 N 0.23 1.19 -0.34 0.00 2.07 -0.79 -2.82 116.25 115.79 2obx h VAL 146 Ca 0.08 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 2obx h VAL 146 Cb 0.00 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2obx h VAL 146 CO -0.04 0.20 -0.05 -0.33 0.02 0.00 0.00 177.57 177.37 2obx h GLU 147 N 0.57 0.63 -0.62 1.57 5.08 -0.80 -1.64 114.58 119.36 2obx h GLU 147 Ca 0.15 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2obx h GLU 147 Cb 0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2obx h GLU 147 CO -0.02 0.78 0.41 0.97 -1.00 0.00 0.00 179.01 180.15 2obx h ILE 148 N 0.42 1.16 -0.75 3.13 6.09 -0.81 0.60 117.51 127.35 2obx h ILE 148 Ca 0.09 -0.31 -0.03 0.00 -1.37 0.00 0.00 64.86 63.25 2obx h ILE 148 Cb 0.53 0.26 -0.03 0.00 0.47 0.00 0.00 36.82 38.04 2obx h ILE 148 CO 0.03 0.16 0.36 -0.07 -3.07 0.00 0.00 178.15 175.56 2obx h LEU 149 N 0.84 0.98 0.19 2.19 3.38 -1.45 -0.41 115.31 121.03 2obx h LEU 149 Ca 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2obx h LEU 149 Cb -0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.41 2obx h LEU 149 CO -0.05 0.83 -0.09 0.00 0.09 0.00 0.00 178.44 179.22 2obx h ALA 150 N 1.18 -0.26 -1.00 1.53 0.00 -0.39 -2.61 119.26 117.72 2obx h ALA 150 Ca 0.26 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.21 2obx h ALA 150 Cb 0.11 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2obx h ALA 150 CO -0.03 -0.61 0.63 0.00 0.00 0.00 0.00 179.25 179.24 2obx h ALA 151 N 0.45 1.56 -0.40 0.00 0.00 0.57 -1.50 119.26 119.94 2obx h ALA 151 Ca -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2obx h ALA 151 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2obx h ALA 151 CO 0.04 0.17 0.12 0.00 0.00 0.00 0.00 179.25 179.59 2obx h ARG 152 N 0.95 0.63 -0.57 0.00 3.08 -0.90 -2.56 114.38 115.01 2obx h ARG 152 Ca 0.51 -0.14 0.16 0.00 0.07 0.00 0.00 59.98 60.58 2obx h ARG 152 Cb 0.56 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2obx h ARG 152 CO -0.28 0.63 0.55 0.93 -1.07 0.00 0.00 179.97 180.74 2obx h GLU 153 N 0.50 0.00 -0.10 0.04 4.39 -0.89 -0.56 114.58 117.96 2obx h GLU 153 Ca 0.13 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.64 2obx h GLU 153 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2obx h GLU 153 CO -0.00 0.00 -0.71 0.87 -1.16 0.00 0.00 179.01 178.01 2obx h LYS 154 N 0.00 0.47 0.00 2.33 1.57 -1.37 -3.52 116.57 116.04 2obx h LYS 154 Ca 0.27 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2obx h LYS 154 Cb 1.37 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2obx h LYS 154 CO -0.00 1.00 0.00 -0.89 -0.57 0.00 0.00 179.45 178.98