#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obx s THR 11 N 0.00 4.98 -0.15 2.62 2.01 -1.26 -4.83 115.64 119.02 2obx s THR 11 Ca 0.00 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 2obx s THR 11 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2obx s THR 11 CO 0.00 -0.80 1.08 -0.69 -0.69 0.00 0.00 174.62 173.52 2obx s VAL 12 N 2.32 4.60 -0.11 3.82 1.01 0.19 -4.85 120.40 127.38 2obx s VAL 12 Ca 0.11 1.90 -0.17 0.00 0.00 0.00 0.00 61.98 63.82 2obx s VAL 12 Cb -0.22 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2obx s VAL 12 CO 0.09 -0.07 0.44 -0.13 0.00 0.00 0.00 175.10 175.43 2obx s ARG 13 N 2.62 4.30 -0.10 2.72 0.52 -1.26 -1.99 118.95 125.75 2obx s ARG 13 Ca 0.49 0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 56.08 2obx s ARG 13 Cb -0.19 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 2obx s ARG 13 CO 0.14 0.22 -0.06 0.42 0.02 0.00 0.00 175.30 176.04 2obx s ILE 14 N 0.45 3.73 -0.16 1.52 1.09 0.04 -0.92 121.20 126.97 2obx s ILE 14 Ca 0.24 -0.44 -0.05 0.00 -1.10 0.00 0.00 60.65 59.30 2obx s ILE 14 Cb -0.15 -2.57 -0.03 0.00 -1.06 0.00 0.00 42.46 38.65 2obx s ILE 14 CO 0.10 0.56 0.01 0.00 -0.10 0.00 0.00 174.94 175.51 2obx s ALA 15 N -0.30 3.23 -0.19 9.38 0.00 -0.74 -1.31 121.76 131.82 2obx s ALA 15 Ca 0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2obx s ALA 15 Cb -0.13 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2obx s ALA 15 CO 0.02 0.27 -0.05 0.08 0.00 0.00 0.00 175.76 176.08 2obx s VAL 16 N 0.14 3.48 -0.35 0.00 1.01 0.82 -0.07 120.40 125.42 2obx s VAL 16 Ca 0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2obx s VAL 16 Cb -0.13 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2obx s VAL 16 CO 0.02 0.45 0.19 -0.69 0.00 0.00 0.00 175.10 175.07 2obx s VAL 17 N 1.09 4.64 -0.05 2.92 1.01 0.10 -0.02 120.40 130.09 2obx s VAL 17 Ca 0.01 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2obx s VAL 17 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2obx s VAL 17 CO -0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 175.10 174.74 2obx s ARG 18 N 1.58 2.53 0.39 2.72 1.70 -0.50 -0.61 118.95 126.76 2obx s ARG 18 Ca 0.03 -0.87 -0.21 0.00 -0.47 0.00 0.00 55.73 54.21 2obx s ARG 18 Cb -0.18 -2.19 -0.10 0.00 -0.57 0.00 0.00 34.95 31.90 2obx s ARG 18 CO 0.07 0.43 0.91 0.00 -1.08 0.00 0.00 175.30 175.62 2obx s ALA 19 N -0.27 3.12 -2.33 7.88 0.00 -0.85 -0.90 121.76 128.41 2obx s ALA 19 Ca -0.00 0.36 0.22 0.00 0.00 0.00 0.00 51.96 52.53 2obx s ALA 19 Cb -0.13 -3.09 0.77 0.00 0.00 0.00 0.00 23.12 20.68 2obx s ALA 19 CO 0.03 0.17 1.57 0.54 0.00 0.00 0.00 175.76 178.07 2obx n ARG 20 N -0.40 1.77 -2.61 0.00 5.12 0.94 -4.52 116.66 116.96 2obx n ARG 20 Ca 0.06 -1.15 -0.42 0.00 -1.93 0.00 0.00 57.85 54.40 2obx n ARG 20 Cb 0.53 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.81 3.40 -1.65 -1.55 0.52 -1.17 -2.21 118.94 114.48 2obx s TRP 21 Ca 0.33 1.46 0.00 0.00 0.02 0.00 0.00 56.10 57.92 2obx s TRP 21 Cb 0.18 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 2obx s TRP 21 CO 0.28 -0.60 0.00 0.72 0.02 0.00 0.00 176.95 177.36 2obx n HIS 22 N 5.08 -0.84 -0.54 -1.98 8.25 -1.26 -4.51 115.22 119.42 2obx n HIS 22 Ca 0.10 0.00 0.44 0.00 -0.26 0.00 0.00 57.72 57.99 2obx n HIS 22 Cb 0.48 -3.67 0.72 0.00 1.12 0.00 0.00 29.99 28.64 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 0.84 3.11 0.52 -1.41 0.00 -1.68 0.52 119.26 121.17 2obx h ALA 23 Ca -0.45 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2obx h ALA 23 Cb 1.33 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2obx h ALA 23 CO 0.53 -1.78 -0.43 0.22 0.00 0.00 0.00 179.25 177.80 2obx h ASP 24 N 0.00 -1.13 0.08 0.00 3.58 -1.87 0.15 116.42 117.24 2obx h ASP 24 Ca 0.90 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 58.30 2obx h ASP 24 Cb 3.09 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 44.50 2obx h ASP 24 CO -0.35 -0.61 -0.47 0.40 -2.88 0.00 0.00 179.24 175.34 2obx h ILE 25 N -0.93 1.32 -0.33 2.25 2.04 -1.29 -3.22 117.51 117.35 2obx h ILE 25 Ca -0.06 -1.67 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 2obx h ILE 25 Cb 0.80 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2obx h ILE 25 CO -0.01 0.52 -0.06 0.58 0.00 0.00 0.00 178.15 179.18 2obx h VAL 26 N 0.37 1.27 0.00 1.67 2.07 -1.27 -2.93 116.25 117.44 2obx h VAL 26 Ca 0.02 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2obx h VAL 26 Cb 0.96 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2obx h VAL 26 CO 0.08 0.35 0.00 0.47 0.02 0.00 0.00 177.57 178.50 2obx n ASP 27 N -4.47 0.20 0.20 0.57 10.43 0.03 -0.46 116.55 123.06 2obx n ASP 27 Ca -0.02 0.58 0.11 0.00 2.57 0.00 0.00 54.79 58.03 2obx n ASP 27 Cb 0.31 -0.61 0.15 0.00 1.84 0.00 0.00 41.12 42.81 2obx n ASP 27 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 2obx h GLN 28 N 0.00 0.00 0.18 -1.24 1.08 -1.57 -2.19 115.11 111.36 2obx h GLN 28 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 2obx h GLN 28 Cb 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2obx h GLN 28 CO 0.00 0.03 -1.74 0.00 -0.95 0.00 0.00 178.83 176.17 2obx h VAL 30 N 0.06 0.62 -0.68 0.00 2.07 -1.45 0.71 116.25 117.58 2obx h VAL 30 Ca -0.35 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2obx h VAL 30 Cb 2.06 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2obx h VAL 30 CO 0.16 0.01 0.29 0.77 0.02 0.00 0.00 177.57 178.82 2obx h SER 31 N -0.55 0.91 -0.49 0.57 4.64 -1.56 -0.43 113.55 116.64 2obx h SER 31 Ca -0.05 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 2obx h SER 31 Cb 0.42 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 2obx h SER 31 CO 0.09 0.80 0.19 0.00 -0.87 0.00 0.00 176.83 177.04 2obx h ALA 32 N 1.33 1.32 -0.37 5.18 0.00 -1.38 -1.70 119.26 123.65 2obx h ALA 32 Ca 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2obx h ALA 32 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2obx h ALA 32 CO -0.02 0.50 -0.00 0.35 0.00 0.00 0.00 179.25 180.07 2obx h PHE 33 N 0.78 0.72 -0.54 0.00 3.57 0.06 -2.09 116.94 119.43 2obx h PHE 33 Ca 0.18 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 2obx h PHE 33 Cb 0.20 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2obx h PHE 33 CO 0.01 0.75 -0.04 0.93 -2.23 0.00 0.00 178.31 177.73 2obx h GLU 34 N 0.47 0.96 -0.16 1.11 5.08 -0.70 -0.50 114.58 120.83 2obx h GLU 34 Ca 0.10 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2obx h GLU 34 Cb 0.47 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2obx h GLU 34 CO 0.02 0.97 -0.17 0.00 -1.00 0.00 0.00 179.01 178.83 2obx h ALA 35 N 1.07 0.24 -0.30 3.43 0.00 -1.30 -2.31 119.26 120.09 2obx h ALA 35 Ca 0.15 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2obx h ALA 35 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2obx h ALA 35 CO 0.03 0.15 -0.14 0.93 0.00 0.00 0.00 179.25 180.22 2obx h GLU 36 N 0.05 0.53 -0.68 0.00 4.39 -1.36 0.46 114.58 117.96 2obx h GLU 36 Ca 0.03 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 2obx h GLU 36 Cb 0.71 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2obx h GLU 36 CO 0.04 0.65 0.27 1.98 -1.16 0.00 0.00 179.01 180.80 2obx h MET 37 N 0.48 1.01 -0.05 2.33 4.05 -1.02 -0.39 114.93 121.35 2obx h MET 37 Ca 0.09 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 59.23 2obx h MET 37 Cb 0.53 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2obx h MET 37 CO 0.03 0.84 -0.35 0.00 0.23 0.00 0.00 176.91 177.65 2obx h ALA 38 N 1.12 0.10 -0.68 0.39 0.00 -0.98 1.21 119.26 120.42 2obx h ALA 38 Ca 0.23 -0.47 0.20 0.00 0.00 0.00 0.00 54.91 54.87 2obx h ALA 38 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2obx h ALA 38 CO -0.02 0.20 0.50 0.22 0.00 0.00 0.00 179.25 180.15 2obx h ASP 39 N -0.21 0.00 0.00 0.00 1.82 0.13 -2.46 116.42 115.70 2obx h ASP 39 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2obx h ASP 39 Cb 1.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2obx h ASP 39 CO 0.07 0.00 0.00 2.30 -1.61 0.00 0.00 179.24 180.00 2obx n ILE 40 N -4.27 0.00 0.00 2.25 -5.35 -0.17 -4.91 119.36 106.91 2obx n ILE 40 Ca 0.13 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2obx n ILE 40 Cb 0.77 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 2obx n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2obx n GLY 41 N 0.46 0.06 1.60 3.28 0.00 0.42 -5.04 105.19 105.96 2obx n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2obx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obx n GLY 42 N 3.34 -0.97 4.67 -0.02 0.00 -0.96 -3.69 105.19 107.55 2obx n GLY 42 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2obx n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2obx n ASP 43 N 1.13 0.00 0.06 1.61 -0.08 -1.26 -4.55 116.55 113.46 2obx n ASP 43 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2obx n ASP 43 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 2obx n ASP 43 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2obx h ARG 44 N 0.00 -0.10 -5.77 -0.67 2.47 -1.88 -3.42 114.38 105.00 2obx h ARG 44 Ca 0.00 0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 58.13 2obx h ARG 44 Cb 0.00 0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.21 2obx h ARG 44 CO 0.00 0.13 -0.66 -0.06 0.56 0.00 0.00 179.97 179.94 2obx s PHE 45 N -5.27 2.34 -0.01 3.04 0.40 -1.26 -0.63 117.98 116.59 2obx s PHE 45 Ca -0.14 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.59 2obx s PHE 45 Cb 0.04 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.15 2obx s PHE 45 CO 0.65 0.48 0.03 0.00 0.70 0.00 0.00 175.22 177.07 2obx s ALA 46 N -2.73 -0.05 -0.10 5.36 0.00 -0.84 -4.62 121.76 118.78 2obx s ALA 46 Ca 0.33 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 2obx s ALA 46 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2obx s ALA 46 CO 0.16 -0.03 0.04 0.08 0.00 0.00 0.00 175.76 176.02 2obx s VAL 47 N 0.16 4.67 -0.11 0.00 1.01 -1.26 -0.78 120.40 124.10 2obx s VAL 47 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2obx s VAL 47 Cb -0.02 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.39 2obx s VAL 47 CO -0.00 0.61 -0.14 -1.81 0.00 0.00 0.00 175.10 173.75 2obx s ASP 48 N -0.93 2.36 -0.14 3.32 1.01 -0.43 -4.96 116.67 116.90 2obx s ASP 48 Ca 0.14 -0.41 -0.06 0.00 0.71 0.00 0.00 52.55 52.93 2obx s ASP 48 Cb -0.12 -1.05 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 2obx s ASP 48 CO 0.03 0.00 0.06 -0.69 0.21 0.00 0.00 175.17 174.79 2obx s VAL 49 N 1.03 4.84 -0.09 -1.27 1.01 -1.26 -0.13 120.40 124.53 2obx s VAL 49 Ca -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2obx s VAL 49 Cb -0.15 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2obx s VAL 49 CO -0.02 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.13 2obx s PHE 50 N -0.34 1.74 0.00 5.22 0.40 0.97 -4.95 117.98 121.03 2obx s PHE 50 Ca 0.09 -0.75 -0.21 0.00 -0.60 0.00 0.00 56.93 55.46 2obx s PHE 50 Cb -0.12 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 2obx s PHE 50 CO 0.02 -0.40 0.60 -0.51 0.70 0.00 0.00 175.22 175.63 2obx s ASP 51 N 0.91 6.99 0.03 1.36 1.01 -1.26 -1.41 116.67 124.29 2obx s ASP 51 Ca -0.09 1.18 0.04 0.00 0.71 0.00 0.00 52.55 54.39 2obx s ASP 51 Cb -0.15 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2obx s ASP 51 CO 0.00 0.11 -0.13 -0.69 0.21 0.00 0.00 175.17 174.67 2obx s VAL 52 N -0.23 1.00 0.14 -1.27 1.01 -0.08 -4.94 120.40 116.03 2obx s VAL 52 Ca 0.31 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2obx s VAL 52 Cb -0.18 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 2obx s VAL 52 CO 0.17 0.04 1.57 -0.65 0.00 0.00 0.00 175.10 176.24 2obx h PRO 53 N 5.16 -0.41 -3.70 2.72 0.11 -1.94 0.27 132.00 134.21 2obx h PRO 53 Ca -0.36 0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 2obx h PRO 53 Cb 1.18 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 2obx h PRO 53 CO 0.45 -0.27 -0.12 0.20 -0.21 0.00 0.00 178.00 178.05 2obx s GLY 54 N -2.56 0.68 0.17 -0.55 0.00 -1.26 -2.01 107.32 101.79 2obx s GLY 54 Ca -0.15 -0.98 -0.28 0.00 0.00 0.00 0.00 44.72 43.31 2obx s GLY 54 CO 0.64 -0.68 1.54 0.00 0.00 0.00 0.00 173.10 174.61 2obx h ALA 55 N 2.23 -0.42 0.00 3.20 0.00 -1.92 0.08 119.26 122.43 2obx h ALA 55 Ca -0.27 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2obx h ALA 55 Cb 1.25 1.31 0.00 0.00 0.00 0.00 0.00 17.79 20.35 2obx h ALA 55 CO 0.36 -0.91 0.72 -0.92 0.00 0.00 0.00 179.25 178.51 2obx h TYR 56 N -0.00 0.00 -0.01 0.00 3.20 -1.98 0.99 116.97 119.17 2obx h TYR 56 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2obx h TYR 56 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2obx h TYR 56 CO -1.00 0.00 -0.23 0.39 -1.64 0.00 0.00 178.16 175.68 2obx n GLU 57 N -2.60 1.31 0.23 1.82 4.71 0.01 -4.52 120.64 121.62 2obx n GLU 57 Ca -0.01 -0.92 -0.15 0.00 -0.01 0.00 0.00 57.16 56.07 2obx n GLU 57 Cb 0.74 -1.48 -0.08 0.00 -1.01 0.00 0.00 31.44 29.60 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 2.25 0.56 -0.53 -3.67 2.04 0.95 -3.16 117.51 115.95 2obx h ILE 58 Ca 0.00 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.63 2obx h ILE 58 Cb 0.64 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 2obx h ILE 58 CO 0.00 0.05 -0.56 -0.65 0.00 0.00 0.00 178.15 176.99 2obx h PRO 59 N -0.75 -0.31 -0.50 2.37 0.11 -1.79 -0.26 132.00 130.87 2obx h PRO 59 Ca -0.06 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.15 2obx h PRO 59 Cb 0.53 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 2obx h PRO 59 CO 0.10 -0.20 0.34 1.25 -0.21 0.00 0.00 178.00 179.27 2obx h LEU 60 N -0.32 0.32 -0.02 2.35 5.85 -1.87 -1.05 115.31 120.56 2obx h LEU 60 Ca 0.09 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2obx h LEU 60 Cb 0.56 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2obx h LEU 60 CO -0.67 0.20 -0.09 -0.74 -0.34 0.00 0.00 178.44 176.80 2obx h HIS 61 N 0.36 0.14 -1.00 1.25 2.76 -1.27 -1.90 115.15 115.49 2obx h HIS 61 Ca 0.23 -0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.47 2obx h HIS 61 Cb 0.43 -0.02 -0.09 0.00 1.55 0.00 0.00 27.41 29.27 2obx h HIS 61 CO -0.00 0.73 0.62 0.00 -1.30 0.00 0.00 177.93 177.98 2obx h ALA 62 N 0.39 1.52 0.52 5.26 0.00 -0.66 0.55 119.26 126.84 2obx h ALA 62 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2obx h ALA 62 Cb 0.73 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2obx h ALA 62 CO 0.02 0.18 -0.25 -0.09 0.00 0.00 0.00 179.25 179.11 2obx h ARG 63 N 0.95 -0.67 -1.05 0.00 2.43 -1.16 0.08 114.38 114.97 2obx h ARG 63 Ca 0.51 0.05 0.31 0.00 -0.81 0.00 0.00 59.98 60.03 2obx h ARG 63 Cb 0.54 0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.12 2obx h ARG 63 CO -0.28 -0.45 0.63 1.15 -1.51 0.00 0.00 179.97 179.51 2obx h THR 64 N -0.76 0.38 0.03 0.20 2.02 -0.80 0.18 112.91 114.16 2obx h THR 64 Ca -0.07 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2obx h THR 64 Cb 0.53 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2obx h THR 64 CO 0.12 0.07 -0.02 -0.07 0.37 0.00 0.00 175.52 175.99 2obx h LEU 65 N 0.37 -0.04 -0.88 2.58 3.38 -0.83 -3.15 115.31 116.74 2obx h LEU 65 Ca 0.70 -0.50 0.17 0.00 0.09 0.00 0.00 57.88 58.33 2obx h LEU 65 Cb 1.66 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 2obx h LEU 65 CO -0.49 0.49 0.46 0.00 0.09 0.00 0.00 178.44 178.99 2obx h ALA 66 N 0.35 1.36 0.00 1.53 0.00 0.13 -1.09 119.26 121.55 2obx h ALA 66 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2obx h ALA 66 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2obx h ALA 66 CO 0.01 -0.12 0.00 0.93 0.00 0.00 0.00 179.25 180.06 2obx h GLU 67 N 0.61 0.00 0.00 0.00 5.08 -0.89 -2.39 114.58 116.98 2obx h GLU 67 Ca 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 2obx h GLU 67 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2obx h GLU 67 CO -0.39 0.00 -0.11 1.79 -1.00 0.00 0.00 179.01 179.30 2obx h THR 68 N 0.00 0.22 -0.03 1.13 1.35 -1.15 -3.47 112.91 110.97 2obx h THR 68 Ca 0.00 -0.97 -0.01 0.00 -0.55 0.00 0.00 66.41 64.88 2obx h THR 68 Cb 0.35 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2obx h THR 68 CO 0.00 0.10 -0.01 0.61 -0.25 0.00 0.00 175.52 175.97 2obx n GLY 69 N 0.48 0.45 0.00 5.82 0.00 -0.90 -4.90 105.19 106.14 2obx n GLY 69 Ca 0.02 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.40 0.00 -5.10 1.61 1.74 -1.26 -4.92 116.66 106.34 2obx n ARG 70 Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 2obx n ARG 70 Cb 0.09 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 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 -3.00 2.43 -0.24 -1.55 1.51 -1.26 -4.35 117.35 110.88 2obx s TYR 71 Ca 0.10 -0.36 0.21 0.00 -1.01 0.00 0.00 57.07 56.01 2obx s TYR 71 Cb 0.17 -1.51 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2obx s TYR 71 CO 0.73 0.06 1.12 0.78 -1.11 0.00 0.00 175.55 177.14 2obx h GLY 72 N 5.25 0.00 -3.78 0.71 0.00 -1.38 -3.48 103.07 100.40 2obx h GLY 72 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 2obx h GLY 72 CO 0.47 0.00 0.14 0.00 0.00 0.00 0.00 176.54 177.15 2obx s ALA 73 N -3.21 -1.60 -0.08 3.60 0.00 -1.25 -4.21 121.76 115.00 2obx s ALA 73 Ca 0.01 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.97 2obx s ALA 73 Cb 0.08 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.45 2obx s ALA 73 CO 0.77 -0.46 -0.14 0.08 0.00 0.00 0.00 175.76 176.01 2obx s VAL 74 N -1.90 1.33 -0.21 0.00 1.01 -0.54 -1.80 120.40 118.30 2obx s VAL 74 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 2obx s VAL 74 Cb -0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2obx s VAL 74 CO 0.03 0.40 0.09 -0.22 0.00 0.00 0.00 175.10 175.41 2obx s LEU 75 N 0.76 3.81 -0.20 3.92 2.96 0.90 -0.96 118.68 129.87 2obx s LEU 75 Ca -0.12 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2obx s LEU 75 Cb -0.16 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2obx s LEU 75 CO 0.03 0.10 0.04 -0.83 -1.32 0.00 0.00 176.35 174.36 2obx s GLY 76 N 0.83 1.81 -0.00 7.98 0.00 -0.62 0.03 107.32 117.34 2obx s GLY 76 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2obx s GLY 76 CO 0.02 0.18 -0.01 -1.08 0.00 0.00 0.00 173.10 172.21 2obx s THR 77 N 0.77 0.09 -0.04 0.90 -1.32 0.22 0.36 115.64 116.61 2obx s THR 77 Ca 0.02 -0.02 -0.31 0.00 -1.21 0.00 0.00 61.69 60.18 2obx s THR 77 Cb -0.14 -0.10 0.11 0.00 -1.51 0.00 0.00 72.50 70.86 2obx s THR 77 CO 0.02 0.04 1.08 0.00 -2.21 0.00 0.00 174.62 173.55 2obx s ALA 78 N 0.14 -1.96 -0.31 11.08 0.00 -0.13 -2.01 121.76 128.57 2obx s ALA 78 Ca -0.01 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 2obx s ALA 78 Cb -0.02 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.42 2obx s ALA 78 CO -0.00 -0.78 0.02 0.12 0.00 0.00 0.00 175.76 175.11 2obx s PHE 79 N -2.78 3.32 -0.55 0.00 5.99 -1.26 -1.38 117.98 121.32 2obx s PHE 79 Ca 0.09 -1.99 -0.05 0.00 0.00 0.00 0.00 56.93 54.98 2obx s PHE 79 Cb 0.00 -2.26 0.14 0.00 0.00 0.00 0.00 43.02 40.90 2obx s PHE 79 CO -0.05 -0.83 0.38 0.08 -0.00 0.00 0.00 175.22 174.80 2obx s VAL 80 N 1.22 3.85 0.39 3.12 1.01 -0.42 -4.89 120.40 124.69 2obx s VAL 80 Ca -0.03 -2.41 0.08 0.00 0.00 0.00 0.00 61.98 59.62 2obx s VAL 80 Cb -0.20 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2obx s VAL 80 CO -0.02 -0.81 0.41 0.68 0.00 0.00 0.00 175.10 175.36 2obx s VAL 81 N 0.61 3.08 -0.57 2.92 -7.23 -1.26 -4.22 120.40 113.72 2obx s VAL 81 Ca 0.12 -1.24 -0.23 0.00 -1.81 0.00 0.00 61.98 58.82 2obx s VAL 81 Cb -0.21 -3.08 0.05 0.00 0.56 0.00 0.00 36.38 33.69 2obx s VAL 81 CO -0.03 -0.06 0.91 0.21 -0.31 0.00 0.00 175.10 175.82 2obx s ASN 82 N -4.15 6.29 0.00 4.85 2.47 -1.26 -4.72 114.94 118.41 2obx s ASN 82 Ca 0.48 -0.53 0.17 0.00 0.42 0.00 0.00 52.86 53.40 2obx s ASN 82 Cb -0.06 -2.42 1.03 0.00 -1.45 0.00 0.00 41.25 38.35 2obx s ASN 82 CO 0.29 -1.23 1.45 0.61 -3.72 0.00 0.00 177.10 174.49 2obx n GLY 83 N 5.16 -0.61 3.44 1.21 0.00 -1.26 -4.73 105.19 108.41 2obx n GLY 83 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.20 2.63 0.56 -0.02 0.00 -1.26 -4.71 105.19 102.59 2obx n GLY 84 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.97 0.99 -4.31 -0.61 5.41 -1.26 -5.07 119.36 112.54 2obx n ILE 85 Ca 0.00 -0.03 -0.23 0.00 1.00 0.00 0.00 62.75 63.49 2obx n ILE 85 Cb 0.00 -1.79 -0.08 0.00 -0.71 0.00 0.00 39.64 37.06 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 -2.33 2.63 0.25 1.39 1.51 -1.26 -5.11 117.35 114.43 2obx s TYR 86 Ca -0.18 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 2obx s TYR 86 Cb 0.06 -1.22 -0.09 0.00 -0.11 0.00 0.00 41.96 40.60 2obx s TYR 86 CO 0.24 0.60 0.96 1.03 -1.11 0.00 0.00 175.55 177.27 2obx s ARG 87 N -3.67 4.83 -0.04 -0.62 0.52 -1.26 -4.23 118.95 114.49 2obx s ARG 87 Ca 0.32 1.53 0.14 0.00 -0.52 0.00 0.00 55.73 57.20 2obx s ARG 87 Cb -0.05 -3.27 -0.22 0.00 0.52 0.00 0.00 34.95 31.93 2obx s ARG 87 CO 0.19 0.48 0.27 -2.39 0.02 0.00 0.00 175.30 173.88 2obx n HIS 88 N 1.45 0.00 -0.30 -0.53 1.44 -1.26 -4.65 115.22 111.37 2obx n HIS 88 Ca -0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 2obx n HIS 88 Cb 0.47 -0.39 0.24 0.00 0.12 0.00 0.00 29.99 30.43 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 0.00 0.56 -0.29 -1.40 3.07 -1.94 -1.93 114.58 112.65 2obx h GLU 89 Ca -0.06 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2obx h GLU 89 Cb 0.86 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 2obx h GLU 89 CO 0.00 0.37 0.01 0.74 -1.40 0.00 0.00 179.01 178.74 2obx h PHE 90 N 0.58 0.01 -0.44 4.33 0.05 -1.99 0.11 116.94 119.58 2obx h PHE 90 Ca 0.49 0.02 -0.12 0.00 3.82 0.00 0.00 57.97 62.17 2obx h PHE 90 Cb 0.75 0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.72 2obx h PHE 90 CO -0.10 -0.04 -0.21 0.28 -0.18 0.00 0.00 178.31 178.06 2obx h VAL 91 N 0.10 1.27 0.44 -0.55 2.07 -1.71 -1.83 116.25 116.04 2obx h VAL 91 Ca 0.14 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 2obx h VAL 91 Cb 0.18 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2obx h VAL 91 CO -0.22 0.46 -0.21 0.00 0.02 0.00 0.00 177.57 177.61 2obx h ALA 92 N 0.99 -0.60 -0.90 1.67 0.00 -0.98 -2.17 119.26 117.27 2obx h ALA 92 Ca 0.10 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.02 2obx h ALA 92 Cb 0.75 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2obx h ALA 92 CO 0.06 -0.78 0.48 1.03 0.00 0.00 0.00 179.25 180.04 2obx h SER 93 N -0.72 0.58 0.14 0.00 0.87 -0.79 -0.89 113.55 112.73 2obx h SER 93 Ca -0.06 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2obx h SER 93 Cb 0.52 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2obx h SER 93 CO 0.10 0.21 -0.40 0.00 -0.53 0.00 0.00 176.83 176.21 2obx h ALA 94 N 1.60 1.03 0.11 6.23 0.00 -1.18 -2.41 119.26 124.64 2obx h ALA 94 Ca 0.50 -0.42 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 2obx h ALA 94 Cb 0.76 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.48 2obx h ALA 94 CO -0.39 0.61 -1.23 0.28 0.00 0.00 0.00 179.25 178.52 2obx h VAL 95 N 0.29 1.29 -0.52 0.00 2.07 -0.55 0.26 116.25 119.09 2obx h VAL 95 Ca 0.03 -2.46 -0.07 0.00 0.82 0.00 0.00 66.70 65.02 2obx h VAL 95 Cb 0.84 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 2obx h VAL 95 CO 0.07 0.75 0.04 0.40 0.02 0.00 0.00 177.57 178.85 2obx h ILE 96 N 0.28 1.26 -0.31 4.57 1.08 -1.28 -0.42 117.51 122.70 2obx h ILE 96 Ca -0.18 -1.02 -0.16 0.00 -0.39 0.00 0.00 64.86 63.11 2obx h ILE 96 Cb 1.90 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 2obx h ILE 96 CO 0.23 0.36 -0.44 0.44 -0.69 0.00 0.00 178.15 178.06 2obx h ASP 97 N 0.76 0.84 -0.13 1.72 3.32 -1.49 -2.67 116.42 118.78 2obx h ASP 97 Ca 0.15 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2obx h ASP 97 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2obx h ASP 97 CO 0.02 1.16 0.08 1.23 -1.72 0.00 0.00 179.24 180.00 2obx h GLY 98 N 0.88 0.18 1.53 2.75 0.00 -0.08 0.22 103.07 108.55 2obx h GLY 98 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 2obx h GLY 98 CO 0.10 0.07 -0.03 -0.33 0.00 0.00 0.00 176.54 176.35 2obx h MET 99 N 0.13 0.58 -0.02 4.80 2.86 -1.11 0.41 114.93 122.59 2obx h MET 99 Ca 0.04 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2obx h MET 99 Cb 0.03 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2obx h MET 99 CO -0.01 0.63 0.01 1.98 1.06 0.00 0.00 176.91 180.58 2obx h MET 100 N 0.55 0.03 -0.43 1.72 -1.53 -1.10 -0.93 114.93 113.25 2obx h MET 100 Ca 0.11 -0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.45 2obx h MET 100 Cb 0.40 -0.00 -0.08 0.00 -0.55 0.00 0.00 31.60 31.36 2obx h MET 100 CO 0.02 0.23 -0.11 -0.97 0.14 0.00 0.00 176.91 176.22 2obx h ASN 101 N -0.16 -0.40 -0.40 1.39 -0.73 -0.11 -2.03 115.58 113.14 2obx h ASN 101 Ca 0.01 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 2obx h ASN 101 Cb 0.21 0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2obx h ASN 101 CO -0.00 -0.14 0.20 0.58 -0.37 0.00 0.00 177.43 177.70 2obx h VAL 102 N 0.00 1.17 -0.21 2.57 2.07 -0.67 -2.66 116.25 118.52 2obx h VAL 102 Ca 0.21 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2obx h VAL 102 Cb 0.31 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2obx h VAL 102 CO -0.44 0.18 -0.21 0.06 0.02 0.00 0.00 177.57 177.19 2obx h GLN 103 N 0.51 0.37 -0.08 1.57 3.07 -0.80 -1.75 115.11 118.00 2obx h GLN 103 Ca 0.14 -0.12 -0.14 0.00 0.09 0.00 0.00 58.65 58.62 2obx h GLN 103 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 2obx h GLN 103 CO -0.02 0.57 -0.58 -0.07 0.09 0.00 0.00 178.83 178.82 2obx h LEU 104 N 0.34 0.29 0.02 0.06 3.38 -1.21 -0.95 115.31 117.24 2obx h LEU 104 Ca 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2obx h LEU 104 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2obx h LEU 104 CO 0.04 0.81 -0.01 0.77 0.09 0.00 0.00 178.44 180.13 2obx h SER 105 N 0.19 -0.02 -0.02 -0.43 4.64 -1.26 -3.36 113.55 113.29 2obx h SER 105 Ca -0.00 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 2obx h SER 105 Cb 1.08 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2obx h SER 105 CO 0.09 0.52 -0.20 0.71 -0.87 0.00 0.00 176.83 177.08 2obx h THR 106 N -1.01 1.24 0.00 2.95 1.35 -1.46 -3.47 112.91 112.52 2obx h THR 106 Ca -0.00 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2obx h THR 106 Cb 0.11 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2obx h THR 106 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2obx n GLY 107 N -0.56 0.71 3.70 5.82 0.00 -0.36 -5.04 105.19 109.47 2obx n GLY 107 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 5.17 0.32 1.61 1.01 -1.24 -5.00 120.40 119.54 2obx s VAL 108 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 2obx s VAL 108 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 2obx s VAL 108 CO 0.00 0.29 1.56 -2.84 0.00 0.00 0.00 175.10 174.10 2obx s PRO 109 N 0.92 4.12 -0.27 2.72 0.02 -1.26 -4.32 135.00 136.93 2obx s PRO 109 Ca 0.25 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.85 2obx s PRO 109 Cb -0.15 -3.01 0.07 0.00 0.02 0.00 0.00 34.50 31.43 2obx s PRO 109 CO 0.10 -0.59 -0.04 0.08 -0.33 0.00 0.00 177.00 176.22 2obx s VAL 110 N -0.35 1.80 0.41 3.83 1.01 -1.26 -1.46 120.40 124.37 2obx s VAL 110 Ca 0.60 -1.57 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2obx s VAL 110 Cb -0.47 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2obx s VAL 110 CO 0.52 -0.23 0.78 -0.76 0.00 0.00 0.00 175.10 175.41 2obx s LEU 111 N 1.23 3.83 -0.17 3.92 1.02 -0.13 -4.87 118.68 123.51 2obx s LEU 111 Ca -0.02 1.15 -0.00 0.00 0.02 0.00 0.00 54.13 55.28 2obx s LEU 111 Cb -0.19 -4.03 -0.00 0.00 0.02 0.00 0.00 46.19 41.99 2obx s LEU 111 CO -0.08 -0.40 -0.14 -0.55 0.02 0.00 0.00 176.35 175.20 2obx s SER 112 N -3.13 3.71 -0.19 2.29 0.15 -1.26 -1.59 113.70 113.68 2obx s SER 112 Ca 0.52 -0.48 0.16 0.00 0.70 0.00 0.00 55.95 56.85 2obx s SER 112 Cb -0.10 -1.58 0.45 0.00 -1.71 0.00 0.00 66.02 63.07 2obx s SER 112 CO 0.31 0.06 1.18 0.00 1.20 0.00 0.00 173.24 175.98 2obx n ALA 113 N 4.25 3.43 -3.34 5.45 0.00 0.16 -4.95 120.51 125.50 2obx n ALA 113 Ca -0.19 -3.06 -0.46 0.00 0.00 0.00 0.00 53.44 49.73 2obx n ALA 113 Cb 0.51 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.85 5.15 -0.02 0.00 1.01 -1.21 -0.96 120.40 121.52 2obx s VAL 114 Ca 0.38 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2obx s VAL 114 Cb 0.37 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2obx s VAL 114 CO -0.06 -0.88 -0.03 -0.76 0.00 0.00 0.00 175.10 173.37 2obx s LEU 115 N 1.40 3.37 -0.16 3.92 2.01 -0.48 -4.91 118.68 123.84 2obx s LEU 115 Ca 0.05 -0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.17 2obx s LEU 115 Cb -0.27 -1.88 0.02 0.00 0.01 0.00 0.00 46.19 44.07 2obx s LEU 115 CO 0.01 0.31 -0.16 -0.89 1.01 0.00 0.00 176.35 176.63 2obx s THR 116 N -0.99 1.76 0.26 5.49 2.01 -1.26 -1.29 115.64 121.62 2obx s THR 116 Ca 0.17 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 2obx s THR 116 Cb -0.11 -1.63 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 2obx s THR 116 CO 0.07 0.49 0.72 -2.16 -0.69 0.00 0.00 174.62 173.05 2obx s PRO 117 N 1.41 4.13 0.26 4.92 0.04 -1.26 -4.96 135.00 139.53 2obx s PRO 117 Ca 0.05 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 61.81 2obx s PRO 117 Cb -0.13 -2.70 0.36 0.00 0.04 0.00 0.00 34.50 32.07 2obx s PRO 117 CO -0.12 0.30 1.89 0.45 0.04 0.00 0.00 177.00 179.57 2obx h HIS 118 N 2.95 1.20 -3.33 0.56 3.86 -2.00 -3.42 115.15 114.96 2obx h HIS 118 Ca -0.48 0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 58.49 2obx h HIS 118 Cb 1.19 -0.40 -0.33 0.00 1.06 0.00 0.00 27.41 28.93 2obx h HIS 118 CO 0.63 0.65 -0.66 -0.80 0.86 0.00 0.00 177.93 178.61 2obx s ASN 119 N -5.94 0.12 -0.32 2.45 -0.87 -1.26 -4.96 114.94 104.16 2obx s ASN 119 Ca -0.13 0.20 0.03 0.00 -1.57 0.00 0.00 52.86 51.39 2obx s ASN 119 Cb 0.19 0.08 0.16 0.00 -0.02 0.00 0.00 41.25 41.67 2obx s ASN 119 CO 0.81 -0.16 0.40 -0.47 -2.57 0.00 0.00 177.10 175.12 2obx s TYR 120 N 1.32 -0.80 -0.13 2.20 5.04 -1.26 -5.08 117.35 118.64 2obx s TYR 120 Ca -0.07 -0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.41 2obx s TYR 120 Cb -0.12 -0.23 -0.04 0.00 0.35 0.00 0.00 41.96 41.92 2obx s TYR 120 CO -0.05 -0.99 0.08 -1.01 -1.34 0.00 0.00 175.55 172.24 2obx s HIS 121 N 2.13 3.38 -0.97 4.97 3.76 -1.26 -4.70 115.29 122.59 2obx s HIS 121 Ca 0.12 0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 55.10 2obx s HIS 121 Cb -0.13 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.55 2obx s HIS 121 CO -0.21 0.50 2.02 0.34 -0.85 0.00 0.00 174.74 176.55 2obx s ASP 122 N -0.60 4.82 0.19 1.40 -1.08 -1.26 -4.56 116.67 115.57 2obx s ASP 122 Ca 0.11 -0.83 0.02 0.00 -0.52 0.00 0.00 52.55 51.34 2obx s ASP 122 Cb -0.12 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 2obx s ASP 122 CO 0.02 -3.13 -0.01 -0.94 0.52 0.00 0.00 175.17 171.64 2obx s SER 123 N 8.11 1.41 0.20 -0.34 1.04 -1.26 -5.02 113.70 117.84 2obx s SER 123 Ca 0.74 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 55.89 2obx s SER 123 Cb -0.06 0.08 0.14 0.00 0.10 0.00 0.00 66.02 66.29 2obx s SER 123 CO 0.05 -0.54 1.87 0.00 0.98 0.00 0.00 173.24 175.60 2obx h ALA 124 N 2.64 0.92 0.45 5.32 0.00 -1.99 -0.65 119.26 125.97 2obx h ALA 124 Ca -0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2obx h ALA 124 Cb 1.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2obx h ALA 124 CO 0.63 0.36 -0.31 0.93 0.00 0.00 0.00 179.25 180.86 2obx h GLU 125 N 0.99 -0.71 -0.22 0.00 3.07 -1.97 -0.40 114.58 115.33 2obx h GLU 125 Ca 0.27 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 2obx h GLU 125 Cb -0.10 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2obx h GLU 125 CO -0.06 -0.48 0.11 0.45 -1.40 0.00 0.00 179.01 177.64 2obx h HIS 126 N -0.74 0.31 -0.97 4.33 3.86 -1.79 -1.91 115.15 118.24 2obx h HIS 126 Ca -0.05 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2obx h HIS 126 Cb 0.62 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.94 2obx h HIS 126 CO -0.12 0.30 0.63 1.25 0.86 0.00 0.00 177.93 180.85 2obx h HIS 127 N 0.22 1.18 0.04 2.45 6.17 -1.06 -2.57 115.15 121.60 2obx h HIS 127 Ca 0.07 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.18 2obx h HIS 127 Cb 0.11 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 29.64 2obx h HIS 127 CO -0.03 0.67 -0.02 -0.09 0.71 0.00 0.00 177.93 179.17 2obx h ARG 128 N 1.21 -0.05 -0.48 5.26 2.43 -0.90 -1.46 114.38 120.40 2obx h ARG 128 Ca 0.39 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.64 2obx h ARG 128 Cb 0.03 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.50 2obx h ARG 128 CO -0.13 0.24 -0.42 0.35 -1.51 0.00 0.00 179.97 178.49 2obx h PHE 129 N -0.35 -1.24 0.00 2.20 3.57 -1.01 -0.47 116.94 119.66 2obx h PHE 129 Ca -0.01 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 2obx h PHE 129 Cb 0.32 0.61 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2obx h PHE 129 CO 0.02 -0.43 -0.56 0.74 -2.23 0.00 0.00 178.31 175.85 2obx h PHE 130 N -0.28 0.00 0.00 0.41 -1.00 -1.52 0.21 116.94 114.76 2obx h PHE 130 Ca 0.16 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 2obx h PHE 130 Cb 0.57 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 2obx h PHE 130 CO -0.65 0.56 -0.20 0.35 -1.61 0.00 0.00 178.31 176.76 2obx h PHE 131 N 0.00 0.00 0.11 -0.55 3.57 -0.26 -1.77 116.94 118.03 2obx h PHE 131 Ca -0.01 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.16 2obx h PHE 131 Cb 1.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2obx h PHE 131 CO 0.00 0.20 -1.77 0.93 -2.23 0.00 0.00 178.31 175.44 2obx h GLU 132 N 0.00 0.23 0.00 1.11 5.08 -0.70 -3.38 114.58 116.92 2obx h GLU 132 Ca -0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2obx h GLU 132 Cb 0.37 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2obx h GLU 132 CO 0.03 1.19 0.00 1.25 -1.00 0.00 0.00 179.01 180.47 2obx h HIS 133 N -0.16 0.00 0.00 4.33 2.76 -0.44 -3.05 115.15 118.58 2obx h HIS 133 Ca -0.39 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.74 2obx h HIS 133 Cb 1.88 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.83 2obx h HIS 133 CO 0.09 0.00 -0.17 0.74 -1.30 0.00 0.00 177.93 177.29 2obx h PHE 134 N 0.00 0.00 -0.04 5.26 -1.00 -1.49 -2.02 116.94 117.64 2obx h PHE 134 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 2obx h PHE 134 Cb 0.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 2obx h PHE 134 CO 0.00 0.17 -0.68 1.79 -1.61 0.00 0.00 178.31 177.98 2obx h THR 135 N 0.00 1.42 0.02 -1.55 1.35 -1.62 0.30 112.91 112.84 2obx h THR 135 Ca -0.00 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2obx h THR 135 Cb 0.63 2.14 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2obx h THR 135 CO 0.02 0.64 -0.02 0.58 -0.25 0.00 0.00 175.52 176.49 2obx h VAL 136 N 0.14 0.95 0.00 6.82 2.07 -1.53 -1.14 116.25 123.56 2obx h VAL 136 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2obx h VAL 136 Cb 1.21 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2obx h VAL 136 CO 0.10 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.65 2obx h LYS 137 N -0.05 0.00 -0.58 1.57 1.79 -1.19 -1.45 116.57 116.66 2obx h LYS 137 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2obx h LYS 137 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2obx h LYS 137 CO -0.01 0.16 -0.01 0.78 -1.08 0.00 0.00 179.45 179.29 2obx h GLY 138 N 0.56 1.10 1.25 3.86 0.00 0.13 -1.00 103.07 108.97 2obx h GLY 138 Ca -0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 47.33 46.31 2obx h GLY 138 CO 0.02 0.75 -0.67 0.50 0.00 0.00 0.00 176.54 177.14 2obx h LYS 139 N 0.91 0.76 -0.70 4.80 1.57 -0.70 -1.82 116.57 121.38 2obx h LYS 139 Ca 0.16 -0.56 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2obx h LYS 139 Cb 0.56 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2obx h LYS 139 CO 0.03 1.18 0.44 0.93 -0.57 0.00 0.00 179.45 181.46 2obx h GLU 140 N 0.55 0.84 0.00 3.15 5.08 -1.16 -1.05 114.58 121.99 2obx h GLU 140 Ca -0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2obx h GLU 140 Cb 1.28 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2obx h GLU 140 CO 0.14 0.56 -0.28 0.00 -1.00 0.00 0.00 179.01 178.42 2obx h ALA 141 N 1.30 1.16 -0.03 3.43 0.00 -1.05 -1.40 119.26 122.68 2obx h ALA 141 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2obx h ALA 141 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2obx h ALA 141 CO -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 2obx h ALA 142 N 1.72 0.04 -0.08 0.00 0.00 -0.34 -1.97 119.26 118.64 2obx h ALA 142 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2obx h ALA 142 Cb 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2obx h ALA 142 CO 0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 179.25 178.79 2obx h ARG 143 N -0.39 0.14 0.05 0.00 3.08 -1.18 -2.38 114.38 113.70 2obx h ARG 143 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2obx h ARG 143 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2obx h ARG 143 CO 0.01 0.44 -0.03 0.00 -1.07 0.00 0.00 179.97 179.32 2obx h ALA 144 N 1.57 -0.07 -0.20 0.04 0.00 -1.20 -0.95 119.26 118.44 2obx h ALA 144 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2obx h ALA 144 Cb 0.61 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2obx h ALA 144 CO 0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 179.25 178.74 2obx h VAL 146 N -0.17 1.00 -0.42 0.00 2.07 -1.42 -2.35 116.25 114.96 2obx h VAL 146 Ca 0.12 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2obx h VAL 146 Cb 0.35 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2obx h VAL 146 CO -0.30 0.01 0.27 -0.33 0.02 0.00 0.00 177.57 177.24 2obx h GLU 147 N -0.05 0.53 -0.62 1.57 5.08 -0.87 -1.27 114.58 118.95 2obx h GLU 147 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2obx h GLU 147 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2obx h GLU 147 CO 0.00 0.35 0.22 0.97 -1.00 0.00 0.00 179.01 179.56 2obx h ILE 148 N 0.55 1.23 -0.12 3.13 6.09 -0.66 0.20 117.51 127.92 2obx h ILE 148 Ca 0.16 -0.75 -0.12 0.00 -1.37 0.00 0.00 64.86 62.78 2obx h ILE 148 Cb -0.04 0.51 -0.01 0.00 0.47 0.00 0.00 36.82 37.75 2obx h ILE 148 CO -0.05 0.29 -0.47 -0.07 -3.07 0.00 0.00 178.15 174.78 2obx h LEU 149 N 0.91 0.32 0.19 2.19 3.38 -1.20 -1.84 115.31 119.26 2obx h LEU 149 Ca 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2obx h LEU 149 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2obx h LEU 149 CO -0.01 0.75 -0.09 0.00 0.09 0.00 0.00 178.44 179.18 2obx h ALA 150 N 1.26 -0.25 -0.56 1.53 0.00 -0.55 -3.15 119.26 117.54 2obx h ALA 150 Ca 0.01 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2obx h ALA 150 Cb 0.93 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2obx h ALA 150 CO 0.08 -0.38 0.39 0.00 0.00 0.00 0.00 179.25 179.33 2obx h ALA 151 N -0.13 2.23 -0.02 0.00 0.00 -0.61 0.07 119.26 120.80 2obx h ALA 151 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2obx h ALA 151 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2obx h ALA 151 CO 0.04 -0.37 -0.53 0.00 0.00 0.00 0.00 179.25 178.39 2obx h ARG 152 N 0.22 0.05 -0.22 0.00 3.08 -1.34 -2.64 114.38 113.53 2obx h ARG 152 Ca 0.27 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 2obx h ARG 152 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2obx h ARG 152 CO -0.05 0.56 -0.27 0.93 -1.07 0.00 0.00 179.97 180.07 2obx h GLU 153 N 0.04 0.42 0.00 0.04 4.39 -0.94 -2.29 114.58 116.24 2obx h GLU 153 Ca -0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2obx h GLU 153 Cb 0.95 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2obx h GLU 153 CO 0.07 0.66 0.00 1.63 -1.16 0.00 0.00 179.01 180.21 2obx n LYS 154 N -4.11 0.43 0.00 2.33 4.01 -0.99 -5.14 118.16 114.68 2obx n LYS 154 Ca -0.01 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.86 2obx n LYS 154 Cb 0.41 -1.10 0.05 0.00 -0.51 0.00 0.00 35.03 33.88 2obx n LYS 154 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40