#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 3.95 -0.14 6.31 2.01 -1.26 -4.90 115.64 121.61 2obx s THR 11 Ca 0.00 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 2obx s THR 11 Cb 0.00 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 2obx s THR 11 CO 0.00 0.52 0.24 -0.69 -0.69 0.00 0.00 174.62 174.00 2obx s VAL 12 N 0.07 5.34 -0.16 3.82 1.01 -0.72 -4.97 120.40 124.78 2obx s VAL 12 Ca 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 2obx s VAL 12 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2obx s VAL 12 CO 0.03 0.46 0.08 -0.13 0.00 0.00 0.00 175.10 175.54 2obx s ARG 13 N 0.00 3.82 -0.13 2.72 0.52 -1.26 -1.72 118.95 122.91 2obx s ARG 13 Ca 0.15 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 2obx s ARG 13 Cb -0.13 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2obx s ARG 13 CO 0.04 0.41 -0.05 0.42 0.02 0.00 0.00 175.30 176.13 2obx s ILE 14 N -0.00 3.77 -0.11 1.52 1.09 0.01 -1.08 121.20 126.39 2obx s ILE 14 Ca 0.07 -0.42 -0.06 0.00 -1.10 0.00 0.00 60.65 59.15 2obx s ILE 14 Cb -0.12 -2.61 -0.04 0.00 -1.06 0.00 0.00 42.46 38.63 2obx s ILE 14 CO 0.01 0.53 0.11 0.00 -0.10 0.00 0.00 174.94 175.48 2obx s ALA 15 N 0.04 3.74 -0.11 9.38 0.00 -0.68 -1.01 121.76 133.12 2obx s ALA 15 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2obx s ALA 15 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 2obx s ALA 15 CO 0.03 0.61 -0.20 0.08 0.00 0.00 0.00 175.76 176.29 2obx s VAL 16 N -1.00 2.44 -0.32 0.00 1.01 0.37 0.90 120.40 123.80 2obx s VAL 16 Ca 0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2obx s VAL 16 Cb -0.12 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.36 2obx s VAL 16 CO 0.04 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 2obx s VAL 17 N 0.33 2.81 -0.14 2.92 1.01 0.24 0.07 120.40 127.63 2obx s VAL 17 Ca -0.16 -1.70 -0.00 0.00 0.00 0.00 0.00 61.98 60.12 2obx s VAL 17 Cb -0.17 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 2obx s VAL 17 CO 0.08 -0.28 -0.13 0.00 0.00 0.00 0.00 175.10 174.77 2obx s ARG 18 N 1.15 3.34 0.49 2.72 1.70 -0.40 -0.56 118.95 127.39 2obx s ARG 18 Ca -0.01 -0.70 -0.20 0.00 -0.47 0.00 0.00 55.73 54.35 2obx s ARG 18 Cb -0.20 -2.65 -0.08 0.00 -0.57 0.00 0.00 34.95 31.44 2obx s ARG 18 CO -0.03 0.14 1.03 0.00 -1.08 0.00 0.00 175.30 175.36 2obx s ALA 19 N 0.54 2.88 -0.91 7.88 0.00 -0.59 -1.74 121.76 129.82 2obx s ALA 19 Ca -0.08 0.58 0.25 0.00 0.00 0.00 0.00 51.96 52.71 2obx s ALA 19 Cb -0.16 -3.24 0.58 0.00 0.00 0.00 0.00 23.12 20.30 2obx s ALA 19 CO 0.04 -0.31 1.47 0.54 0.00 0.00 0.00 175.76 177.49 2obx n ARG 20 N -1.02 0.07 -1.97 0.00 5.12 0.95 -4.55 116.66 115.27 2obx n ARG 20 Ca 0.09 0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.63 2obx n ARG 20 Cb 0.53 -1.55 -0.01 0.00 -1.16 0.00 0.00 32.46 30.27 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 -3.04 2.82 -0.76 -1.55 0.52 -1.14 -1.02 118.94 114.76 2obx s TRP 21 Ca 0.10 1.30 0.00 0.00 0.02 0.00 0.00 56.10 57.53 2obx s TRP 21 Cb 0.17 -3.83 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 2obx s TRP 21 CO 0.68 -2.39 0.00 0.72 0.02 0.00 0.00 176.95 175.97 2obx n HIS 22 N 0.58 -1.48 -0.32 -1.98 8.25 -1.26 -4.60 115.22 114.40 2obx n HIS 22 Ca 0.01 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.66 2obx n HIS 22 Cb 0.41 -2.22 0.38 0.00 1.12 0.00 0.00 29.99 29.67 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 1.02 1.49 -0.92 -1.41 0.00 -1.32 0.30 119.26 118.42 2obx h ALA 23 Ca -0.20 0.28 0.20 0.00 0.00 0.00 0.00 54.91 55.20 2obx h ALA 23 Cb 1.09 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 2obx h ALA 23 CO 0.25 -0.64 0.47 0.22 0.00 0.00 0.00 179.25 179.54 2obx h ASP 24 N 0.08 0.50 0.06 0.00 1.82 -1.85 0.21 116.42 117.23 2obx h ASP 24 Ca 0.66 0.13 -0.09 0.00 -0.39 0.00 0.00 57.03 57.34 2obx h ASP 24 Cb 1.48 0.06 0.01 0.00 0.68 0.00 0.00 39.33 41.56 2obx h ASP 24 CO -0.80 0.10 -0.39 0.40 -1.61 0.00 0.00 179.24 176.94 2obx h ILE 25 N 0.53 1.65 -0.91 2.25 2.04 -0.78 -3.31 117.51 118.98 2obx h ILE 25 Ca 0.56 -2.43 0.21 0.00 1.00 0.00 0.00 64.86 64.20 2obx h ILE 25 Cb 0.98 3.28 -0.07 0.00 -0.74 0.00 0.00 36.82 40.28 2obx h ILE 25 CO -0.46 0.65 0.60 0.58 0.00 0.00 0.00 178.15 179.52 2obx h VAL 26 N -0.72 0.66 0.00 1.67 2.07 -0.89 -0.92 116.25 118.12 2obx h VAL 26 Ca -0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2obx h VAL 26 Cb 1.29 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2obx h VAL 26 CO 0.06 0.07 0.00 0.44 0.02 0.00 0.00 177.57 178.16 2obx h ASP 27 N 0.38 0.00 -0.10 0.57 3.45 -1.05 -2.07 116.42 117.60 2obx h ASP 27 Ca 0.48 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.73 2obx h ASP 27 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 2obx h ASP 27 CO -0.18 0.00 -0.68 1.56 -1.57 0.00 0.00 179.24 178.37 2obx h GLN 28 N 0.00 0.73 -0.40 3.56 1.08 -1.28 -1.42 115.11 117.38 2obx h GLN 28 Ca 0.00 -0.54 -0.10 0.00 -1.45 0.00 0.00 58.65 56.56 2obx h GLN 28 Cb 0.54 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2obx h GLN 28 CO 0.00 1.16 -0.16 0.00 -0.95 0.00 0.00 178.83 178.88 2obx h VAL 30 N 0.62 1.17 0.00 0.00 2.07 -1.28 -0.14 116.25 118.70 2obx h VAL 30 Ca 0.09 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2obx h VAL 30 Cb 0.70 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2obx h VAL 30 CO 0.05 0.19 -0.33 0.77 0.02 0.00 0.00 177.57 178.27 2obx h SER 31 N 0.43 0.00 1.48 0.57 4.64 -1.24 -1.78 113.55 117.65 2obx h SER 31 Ca 0.12 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 2obx h SER 31 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2obx h SER 31 CO -0.01 0.33 -0.47 0.00 -0.87 0.00 0.00 176.83 175.81 2obx h ALA 32 N 1.67 0.71 0.16 5.18 0.00 -0.88 -2.11 119.26 123.99 2obx h ALA 32 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2obx h ALA 32 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2obx h ALA 32 CO 0.04 0.59 -0.08 0.35 0.00 0.00 0.00 179.25 180.15 2obx h PHE 33 N 0.00 -0.20 -0.63 0.00 3.57 -0.58 -1.32 116.94 117.79 2obx h PHE 33 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2obx h PHE 33 Cb 1.33 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.08 2obx h PHE 33 CO 0.00 0.23 0.32 0.93 -2.23 0.00 0.00 178.31 177.56 2obx h GLU 34 N -0.88 0.57 0.06 1.11 5.08 -1.40 0.40 114.58 119.53 2obx h GLU 34 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2obx h GLU 34 Cb 0.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2obx h GLU 34 CO 0.04 0.38 -0.03 0.00 -1.00 0.00 0.00 179.01 178.39 2obx h ALA 35 N 1.35 -0.09 -0.34 3.43 0.00 -1.43 -1.69 119.26 120.49 2obx h ALA 35 Ca 0.29 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2obx h ALA 35 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2obx h ALA 35 CO -0.20 -0.52 -0.13 0.93 0.00 0.00 0.00 179.25 179.33 2obx h GLU 36 N -0.14 0.59 0.00 0.00 4.39 -0.83 -1.97 114.58 116.62 2obx h GLU 36 Ca -0.01 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2obx h GLU 36 Cb 0.12 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2obx h GLU 36 CO 0.01 0.71 0.00 -0.12 -1.16 0.00 0.00 179.01 178.45 2obx n MET 37 N -4.18 0.00 0.06 2.33 1.56 0.14 -0.92 117.12 116.11 2obx n MET 37 Ca 0.01 0.41 0.18 0.00 -0.27 0.00 0.00 57.70 58.03 2obx n MET 37 Cb 0.34 -1.34 0.49 0.00 2.15 0.00 0.00 33.22 34.86 2obx n MET 37 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2obx h ALA 38 N -2.00 2.30 0.06 -5.12 0.00 -1.37 0.15 119.26 113.27 2obx h ALA 38 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2obx h ALA 38 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2obx h ALA 38 CO 0.00 -1.09 -0.03 0.22 0.00 0.00 0.00 179.25 178.35 2obx h ASP 39 N 0.00 -0.07 1.08 0.00 1.82 -1.00 -2.94 116.42 115.32 2obx h ASP 39 Ca 0.24 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2obx h ASP 39 Cb 1.90 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.93 2obx h ASP 39 CO -0.00 0.46 -0.00 2.30 -1.61 0.00 0.00 179.24 180.39 2obx n ILE 40 N -4.82 0.11 0.50 2.25 -5.35 -0.10 -3.81 119.36 108.14 2obx n ILE 40 Ca -0.02 -0.05 0.05 0.00 -0.27 0.00 0.00 62.75 62.46 2obx n ILE 40 Cb 0.07 -0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 37.43 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 1.47 -0.06 7.00 3.28 0.00 0.43 -5.09 105.19 112.22 2obx n GLY 41 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.11 1.87 0.13 -0.02 0.00 -1.11 -1.60 105.19 105.56 2obx n GLY 42 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.57 2obx n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2obx n ASP 43 N -1.33 0.32 -0.14 1.61 10.43 -1.26 -4.04 116.55 122.15 2obx n ASP 43 Ca 0.00 -2.01 -0.11 0.00 2.57 0.00 0.00 54.79 55.24 2obx n ASP 43 Cb 0.00 -0.08 -0.02 0.00 1.84 0.00 0.00 41.12 42.86 2obx n ASP 43 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2obx h ARG 44 N 0.21 0.80 -5.89 -1.24 2.47 -1.65 -3.46 114.38 105.62 2obx h ARG 44 Ca 0.00 -0.32 -0.59 0.00 -1.26 0.00 0.00 59.98 57.81 2obx h ARG 44 Cb 0.11 -0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 28.29 2obx h ARG 44 CO 0.00 0.94 -0.56 -0.06 0.56 0.00 0.00 179.97 180.85 2obx s PHE 45 N -4.73 2.57 -0.01 3.04 0.40 -1.26 -1.76 117.98 116.23 2obx s PHE 45 Ca -0.12 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.64 2obx s PHE 45 Cb 0.10 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.88 2obx s PHE 45 CO 0.83 0.35 0.04 0.00 0.70 0.00 0.00 175.22 177.13 2obx s ALA 46 N -2.60 -0.09 -0.09 5.36 0.00 -0.70 -4.91 121.76 118.74 2obx s ALA 46 Ca 0.38 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2obx s ALA 46 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2obx s ALA 46 CO 0.20 -0.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.86 2obx s VAL 47 N -0.07 2.89 -0.18 0.00 1.01 -1.26 -0.81 120.40 121.98 2obx s VAL 47 Ca -0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2obx s VAL 47 Cb -0.01 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2obx s VAL 47 CO 0.00 0.56 -0.15 -1.81 0.00 0.00 0.00 175.10 173.70 2obx s ASP 48 N -0.11 3.57 -0.11 3.32 1.01 -0.18 -4.97 116.67 119.20 2obx s ASP 48 Ca -0.02 -0.53 -0.11 0.00 0.71 0.00 0.00 52.55 52.59 2obx s ASP 48 Cb -0.14 -1.57 -0.05 0.00 1.01 0.00 0.00 42.92 42.18 2obx s ASP 48 CO 0.04 0.02 0.25 -0.69 0.21 0.00 0.00 175.17 175.00 2obx s VAL 49 N 1.17 5.32 -0.04 -1.27 1.01 -1.26 -0.48 120.40 124.86 2obx s VAL 49 Ca 0.02 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.50 2obx s VAL 49 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2obx s VAL 49 CO -0.06 0.53 -0.14 -0.36 0.00 0.00 0.00 175.10 175.07 2obx s PHE 50 N -0.53 1.42 -0.18 5.22 0.40 0.11 -4.93 117.98 119.49 2obx s PHE 50 Ca 0.17 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 2obx s PHE 50 Cb -0.13 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 2obx s PHE 50 CO 0.06 -0.15 0.32 -0.51 0.70 0.00 0.00 175.22 175.64 2obx s ASP 51 N 0.13 6.42 -0.03 1.36 1.01 -1.26 -1.28 116.67 123.02 2obx s ASP 51 Ca -0.04 0.49 0.05 0.00 0.71 0.00 0.00 52.55 53.76 2obx s ASP 51 Cb -0.11 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 2obx s ASP 51 CO 0.02 0.04 -0.18 -0.69 0.21 0.00 0.00 175.17 174.57 2obx s VAL 52 N 0.78 1.45 0.07 -1.27 1.01 -0.71 -4.96 120.40 116.76 2obx s VAL 52 Ca 0.17 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2obx s VAL 52 Cb -0.14 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 2obx s VAL 52 CO 0.05 0.41 1.36 -0.65 0.00 0.00 0.00 175.10 176.27 2obx h PRO 53 N 5.92 -0.42 -5.28 2.72 0.11 -1.94 0.27 132.00 133.38 2obx h PRO 53 Ca -0.35 0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.24 2obx h PRO 53 Cb 1.16 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 2obx h PRO 53 CO 0.48 -0.28 -0.58 0.20 -0.21 0.00 0.00 178.00 177.61 2obx s GLY 54 N -1.80 2.36 0.54 -0.55 0.00 -1.26 -1.33 107.32 105.29 2obx s GLY 54 Ca -0.10 -1.78 0.21 0.00 0.00 0.00 0.00 44.72 43.05 2obx s GLY 54 CO 0.39 -1.92 2.16 0.00 0.00 0.00 0.00 173.10 173.73 2obx h ALA 55 N 1.90 1.93 0.00 3.20 0.00 -1.94 -1.39 119.26 122.96 2obx h ALA 55 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2obx h ALA 55 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2obx h ALA 55 CO 0.70 -0.08 0.00 -0.92 0.00 0.00 0.00 179.25 178.95 2obx h TYR 56 N 0.00 0.00 -0.00 0.00 3.20 -1.95 -2.72 116.97 115.49 2obx h TYR 56 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2obx h TYR 56 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2obx h TYR 56 CO 0.00 0.00 -0.56 0.39 -1.64 0.00 0.00 178.16 176.35 2obx n GLU 57 N -2.57 0.26 0.10 1.82 4.71 -0.52 -4.52 120.64 119.92 2obx n GLU 57 Ca 0.01 -0.18 -0.13 0.00 -0.01 0.00 0.00 57.16 56.85 2obx n GLU 57 Cb 0.25 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.11 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 0.44 0.89 -0.08 -3.67 2.04 -1.57 -2.72 117.51 112.83 2obx h ILE 58 Ca 0.00 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2obx h ILE 58 Cb 0.52 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 2obx h ILE 58 CO 0.00 0.01 -0.29 -0.65 0.00 0.00 0.00 178.15 177.21 2obx h PRO 59 N -0.17 -0.38 -0.36 2.37 0.11 -1.79 0.11 132.00 131.89 2obx h PRO 59 Ca -0.02 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2obx h PRO 59 Cb 0.13 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2obx h PRO 59 CO 0.03 -0.25 0.19 1.25 -0.21 0.00 0.00 178.00 179.01 2obx h LEU 60 N -0.39 0.44 -0.34 2.35 5.85 -1.86 -0.63 115.31 120.73 2obx h LEU 60 Ca 0.09 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 2obx h LEU 60 Cb 0.52 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2obx h LEU 60 CO -0.31 0.36 -0.30 -0.74 -0.34 0.00 0.00 178.44 177.12 2obx h HIS 61 N 0.50 0.95 -0.59 1.25 2.76 -1.04 -1.93 115.15 117.05 2obx h HIS 61 Ca 0.13 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 2obx h HIS 61 Cb 0.02 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 2obx h HIS 61 CO 0.00 1.05 0.25 0.00 -1.30 0.00 0.00 177.93 177.93 2obx h ALA 62 N 0.74 0.76 -0.04 5.26 0.00 -0.17 0.35 119.26 126.16 2obx h ALA 62 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2obx h ALA 62 Cb 0.87 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2obx h ALA 62 CO 0.08 0.35 0.02 -0.09 0.00 0.00 0.00 179.25 179.61 2obx h ARG 63 N 0.81 0.06 -0.74 0.00 2.43 -1.09 0.46 114.38 116.31 2obx h ARG 63 Ca 0.20 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2obx h ARG 63 Cb 0.17 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2obx h ARG 63 CO -0.02 0.15 0.47 1.15 -1.51 0.00 0.00 179.97 180.21 2obx h THR 64 N -0.04 1.11 -0.20 0.20 2.02 -1.16 0.14 112.91 114.98 2obx h THR 64 Ca 0.02 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 2obx h THR 64 Cb 0.11 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2obx h THR 64 CO -0.00 0.17 -0.06 -0.07 0.37 0.00 0.00 175.52 175.92 2obx h LEU 65 N 0.92 0.41 -1.18 2.58 3.38 -0.74 -2.99 115.31 117.68 2obx h LEU 65 Ca 0.29 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2obx h LEU 65 Cb 0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2obx h LEU 65 CO -0.10 0.69 0.58 0.00 0.09 0.00 0.00 178.44 179.70 2obx h ALA 66 N 0.73 1.61 0.00 1.53 0.00 0.62 -1.91 119.26 121.84 2obx h ALA 66 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2obx h ALA 66 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2obx h ALA 66 CO 0.02 0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.88 2obx n GLU 67 N -4.53 0.78 0.00 0.00 1.02 0.44 -2.42 120.64 115.94 2obx n GLU 67 Ca 0.15 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.38 2obx n GLU 67 Cb 0.29 -1.15 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 2obx n GLU 67 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2obx n THR 68 N -0.27 0.00 -3.67 2.62 -2.24 -0.72 -4.99 114.28 105.02 2obx n THR 68 Ca 0.00 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 2obx n THR 68 Cb 0.07 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.41 2obx n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2obx n GLY 69 N 1.42 -0.34 0.00 3.38 0.00 -1.01 -4.86 105.19 103.78 2obx n GLY 69 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.33 4.29 -5.10 1.61 1.74 -1.26 -5.05 116.66 108.56 2obx n ARG 70 Ca -0.24 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.53 2obx n ARG 70 Cb 0.65 -0.48 -0.15 0.00 -1.02 0.00 0.00 32.46 31.47 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 -0.89 2.37 -1.86 -1.55 1.51 -1.26 -4.11 117.35 111.57 2obx s TYR 71 Ca 0.00 -0.39 0.26 0.00 -1.01 0.00 0.00 57.07 55.93 2obx s TYR 71 Cb 0.00 -1.47 0.75 0.00 -0.11 0.00 0.00 41.96 41.13 2obx s TYR 71 CO 0.00 0.05 1.56 0.41 -1.11 0.00 0.00 175.55 176.47 2obx n GLY 72 N 2.15 -0.51 3.61 0.71 0.00 -0.24 -4.95 105.19 105.96 2obx n GLY 72 Ca -0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 2obx n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obx s ALA 73 N -2.44 -2.12 0.01 4.61 0.00 -1.26 -4.23 121.76 116.33 2obx s ALA 73 Ca 0.26 1.64 0.04 0.00 0.00 0.00 0.00 51.96 53.90 2obx s ALA 73 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2obx s ALA 73 CO 0.50 -0.61 -0.11 0.08 0.00 0.00 0.00 175.76 175.62 2obx s VAL 74 N -2.30 0.89 -0.19 0.00 1.01 -0.50 -1.68 120.40 117.61 2obx s VAL 74 Ca 0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2obx s VAL 74 Cb -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2obx s VAL 74 CO -0.04 0.15 -0.15 -0.22 0.00 0.00 0.00 175.10 174.84 2obx s LEU 75 N -0.53 2.38 -0.15 3.92 2.96 0.26 -1.22 118.68 126.30 2obx s LEU 75 Ca 0.03 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 2obx s LEU 75 Cb -0.05 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 2obx s LEU 75 CO 0.00 -0.01 0.16 -0.83 -1.32 0.00 0.00 176.35 174.35 2obx s GLY 76 N 1.34 2.13 -0.10 7.98 0.00 -0.96 0.79 107.32 118.51 2obx s GLY 76 Ca 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 2obx s GLY 76 CO -0.10 -0.06 0.23 -1.08 0.00 0.00 0.00 173.10 172.08 2obx s THR 77 N -0.33 -0.09 0.25 0.90 -1.32 0.27 -0.39 115.64 114.94 2obx s THR 77 Ca 0.13 0.17 -0.22 0.00 -1.21 0.00 0.00 61.69 60.56 2obx s THR 77 Cb -0.12 -0.36 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 2obx s THR 77 CO 0.02 0.07 0.78 0.00 -2.21 0.00 0.00 174.62 173.28 2obx s ALA 78 N 1.40 -1.32 -0.29 11.08 0.00 -0.91 -1.55 121.76 130.18 2obx s ALA 78 Ca -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2obx s ALA 78 Cb -0.11 0.80 0.08 0.00 0.00 0.00 0.00 23.12 23.89 2obx s ALA 78 CO -0.08 -1.04 -0.01 0.12 0.00 0.00 0.00 175.76 174.75 2obx s PHE 79 N -3.74 2.93 -0.34 0.00 5.99 -1.26 -2.00 117.98 119.55 2obx s PHE 79 Ca 0.11 -2.29 -0.10 0.00 0.00 0.00 0.00 56.93 54.65 2obx s PHE 79 Cb -0.05 -2.13 0.01 0.00 0.00 0.00 0.00 43.02 40.86 2obx s PHE 79 CO 0.06 -0.87 0.17 0.08 -0.00 0.00 0.00 175.22 174.66 2obx s VAL 80 N 1.20 4.49 0.22 3.12 1.01 -0.42 -4.85 120.40 125.16 2obx s VAL 80 Ca 0.02 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2obx s VAL 80 Cb -0.19 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2obx s VAL 80 CO -0.09 -0.10 -0.10 0.68 0.00 0.00 0.00 175.10 175.49 2obx s VAL 81 N 1.56 1.53 -0.50 2.92 -7.23 -1.26 -4.22 120.40 113.20 2obx s VAL 81 Ca 0.03 -2.15 -0.25 0.00 -1.81 0.00 0.00 61.98 57.81 2obx s VAL 81 Cb -0.18 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.65 2obx s VAL 81 CO 0.06 -0.52 0.91 0.21 -0.31 0.00 0.00 175.10 175.45 2obx s ASN 82 N -3.32 6.42 0.00 4.85 2.47 -1.26 -4.77 114.94 119.32 2obx s ASN 82 Ca 0.24 -0.12 0.09 0.00 0.42 0.00 0.00 52.86 53.49 2obx s ASN 82 Cb 0.02 -2.43 0.29 0.00 -1.45 0.00 0.00 41.25 37.67 2obx s ASN 82 CO 0.07 -1.11 1.23 0.61 -3.72 0.00 0.00 177.10 174.18 2obx n GLY 83 N 5.02 0.12 2.24 1.21 0.00 -1.26 -4.68 105.19 107.84 2obx n GLY 83 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.91 0.57 1.03 -0.02 0.00 -1.26 -4.83 105.19 101.58 2obx n GLY 84 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.77 0.00 -4.45 -0.61 5.41 -1.26 -5.10 119.36 110.58 2obx n ILE 85 Ca 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 2obx n ILE 85 Cb 0.02 -1.40 -0.10 0.00 -0.71 0.00 0.00 39.64 37.45 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 2.41 0.13 1.39 1.51 -1.26 -5.11 117.35 114.42 2obx s TYR 86 Ca 0.00 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 2obx s TYR 86 Cb 0.00 -1.21 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 2obx s TYR 86 CO 0.00 0.63 1.00 1.03 -1.11 0.00 0.00 175.55 177.10 2obx s ARG 87 N -3.59 4.67 -0.01 -0.62 0.52 -1.26 -4.50 118.95 114.16 2obx s ARG 87 Ca 0.32 1.53 0.13 0.00 -0.52 0.00 0.00 55.73 57.19 2obx s ARG 87 Cb -0.02 -3.34 -0.17 0.00 0.52 0.00 0.00 34.95 31.93 2obx s ARG 87 CO 0.17 0.18 0.42 -2.39 0.02 0.00 0.00 175.30 173.70 2obx n HIS 88 N 2.63 0.00 0.26 -0.53 1.44 -1.26 -4.65 115.22 113.11 2obx n HIS 88 Ca 0.02 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.83 2obx n HIS 88 Cb 0.48 -0.15 0.68 0.00 0.12 0.00 0.00 29.99 31.12 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 0.00 -0.28 -1.40 3.07 -1.95 -1.98 114.58 112.04 2obx h GLU 89 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 2obx h GLU 89 Cb 0.46 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2obx h GLU 89 CO 0.00 0.08 -0.27 0.74 -1.40 0.00 0.00 179.01 178.16 2obx h PHE 90 N 0.00 0.82 -0.12 4.33 0.05 -1.99 0.44 116.94 120.47 2obx h PHE 90 Ca -0.00 -0.24 -0.06 0.00 3.82 0.00 0.00 57.97 61.49 2obx h PHE 90 Cb 0.17 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 2obx h PHE 90 CO 0.00 0.98 -0.15 0.28 -0.18 0.00 0.00 178.31 179.24 2obx h VAL 91 N 0.42 1.37 0.05 -0.55 2.07 -1.84 -1.90 116.25 115.86 2obx h VAL 91 Ca 0.05 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.24 2obx h VAL 91 Cb 0.84 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2obx h VAL 91 CO 0.07 0.39 -0.38 0.00 0.02 0.00 0.00 177.57 177.67 2obx h ALA 92 N 0.57 -0.63 -0.67 1.67 0.00 -1.35 -1.28 119.26 117.57 2obx h ALA 92 Ca 0.01 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2obx h ALA 92 Cb 0.70 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 2obx h ALA 92 CO 0.04 -0.92 0.08 1.03 0.00 0.00 0.00 179.25 179.48 2obx h SER 93 N -0.57 -0.14 1.07 0.00 0.87 -0.90 -1.07 113.55 112.80 2obx h SER 93 Ca 0.04 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2obx h SER 93 Cb 0.63 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2obx h SER 93 CO -0.27 -0.08 0.00 0.00 -0.53 0.00 0.00 176.83 175.95 2obx n ALA 94 N -2.73 2.04 -0.00 6.23 0.00 -0.72 -1.68 120.51 123.65 2obx n ALA 94 Ca 0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 2obx n ALA 94 Cb 0.40 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 2obx n ALA 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2obx h VAL 95 N 0.00 1.02 -0.29 0.00 2.07 -0.07 -1.11 116.25 117.87 2obx h VAL 95 Ca 0.00 -2.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.06 2obx h VAL 95 Cb 0.53 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2obx h VAL 95 CO 0.00 0.68 -0.18 0.40 0.02 0.00 0.00 177.57 178.49 2obx h ILE 96 N -0.35 1.25 0.04 4.57 1.08 -1.38 -0.43 117.51 122.29 2obx h ILE 96 Ca -0.31 -1.14 -0.21 0.00 -0.39 0.00 0.00 64.86 62.81 2obx h ILE 96 Cb 1.73 1.23 0.02 0.00 -3.07 0.00 0.00 36.82 36.72 2obx h ILE 96 CO 0.04 0.37 -0.84 0.44 -0.69 0.00 0.00 178.15 177.48 2obx h ASP 97 N 0.47 0.66 -0.48 1.72 3.32 -1.44 -3.00 116.42 117.66 2obx h ASP 97 Ca 0.08 -0.80 0.08 0.00 0.02 0.00 0.00 57.03 56.41 2obx h ASP 97 Cb 0.58 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 2obx h ASP 97 CO 0.04 1.38 0.13 1.23 -1.72 0.00 0.00 179.24 180.29 2obx h GLY 98 N 0.02 0.61 1.21 2.75 0.00 -0.86 0.14 103.07 106.93 2obx h GLY 98 Ca -0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2obx h GLY 98 CO 0.16 -0.04 -0.01 -0.33 0.00 0.00 0.00 176.54 176.32 2obx h MET 99 N 0.27 0.95 -0.68 4.80 2.86 -1.18 0.23 114.93 122.19 2obx h MET 99 Ca 0.24 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2obx h MET 99 Cb 0.29 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2obx h MET 99 CO -0.29 0.95 0.22 1.98 1.06 0.00 0.00 176.91 180.84 2obx h MET 100 N 0.87 1.04 -0.28 1.72 -1.53 -1.26 -0.80 114.93 114.70 2obx h MET 100 Ca 0.16 -0.20 -0.15 0.00 -3.44 0.00 0.00 59.70 56.06 2obx h MET 100 Cb 0.53 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.42 2obx h MET 100 CO 0.03 0.88 -0.41 -0.97 0.14 0.00 0.00 176.91 176.57 2obx h ASN 101 N 1.00 0.84 -0.60 1.39 -0.73 -0.26 -2.28 115.58 114.95 2obx h ASN 101 Ca 0.22 -0.51 -0.04 0.00 1.87 0.00 0.00 56.30 57.84 2obx h ASN 101 Cb 0.27 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 2obx h ASN 101 CO -0.01 1.19 0.22 0.58 -0.37 0.00 0.00 177.43 179.05 2obx h VAL 102 N 0.52 1.23 -0.25 2.57 2.07 -0.29 -2.15 116.25 119.96 2obx h VAL 102 Ca 0.03 -0.74 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 2obx h VAL 102 Cb 1.01 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2obx h VAL 102 CO 0.10 0.29 -0.43 0.06 0.02 0.00 0.00 177.57 177.60 2obx h GLN 103 N 0.83 0.61 -0.36 1.57 3.07 -1.14 -1.84 115.11 117.86 2obx h GLN 103 Ca 0.20 -0.33 -0.11 0.00 0.09 0.00 0.00 58.65 58.50 2obx h GLN 103 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2obx h GLN 103 CO -0.01 0.93 -0.21 -0.07 0.09 0.00 0.00 178.83 179.56 2obx h LEU 104 N 0.50 0.70 0.03 0.06 3.38 -1.28 0.20 115.31 118.90 2obx h LEU 104 Ca 0.04 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 2obx h LEU 104 Cb 0.96 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.53 2obx h LEU 104 CO 0.09 0.90 -0.80 0.77 0.09 0.00 0.00 178.44 179.48 2obx h SER 105 N 0.61 0.66 0.96 -0.43 4.64 -1.31 -3.35 113.55 115.34 2obx h SER 105 Ca 0.09 -0.78 -0.14 0.00 -0.47 0.00 0.00 61.79 60.49 2obx h SER 105 Cb 0.69 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2obx h SER 105 CO 0.05 1.36 -1.11 0.71 -0.87 0.00 0.00 176.83 176.97 2obx h THR 106 N 0.03 0.59 0.00 2.95 1.35 -1.37 -3.48 112.91 112.99 2obx h THR 106 Ca -0.11 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 2obx h THR 106 Cb 1.51 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 2obx h THR 106 CO 0.16 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2obx n GLY 107 N 1.33 1.80 3.70 5.82 0.00 0.71 -5.02 105.19 113.53 2obx n GLY 107 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.41 4.94 0.51 1.61 1.01 -1.24 -4.99 120.40 119.83 2obx s VAL 108 Ca 0.00 1.73 -0.23 0.00 0.00 0.00 0.00 61.98 63.48 2obx s VAL 108 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 2obx s VAL 108 CO 0.00 0.17 1.36 -2.84 0.00 0.00 0.00 175.10 173.79 2obx s PRO 109 N 1.16 3.34 -0.30 2.72 0.02 -1.26 -4.41 135.00 136.27 2obx s PRO 109 Ca 0.43 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.69 2obx s PRO 109 Cb -0.19 -2.38 0.09 0.00 0.02 0.00 0.00 34.50 32.04 2obx s PRO 109 CO 0.21 -1.03 0.09 0.08 -0.33 0.00 0.00 177.00 176.01 2obx s VAL 110 N -1.29 0.82 0.33 3.83 1.01 -1.26 -1.42 120.40 122.42 2obx s VAL 110 Ca 0.68 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2obx s VAL 110 Cb -0.40 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.30 2obx s VAL 110 CO 0.49 -0.62 0.93 -0.76 0.00 0.00 0.00 175.10 175.15 2obx s LEU 111 N 1.66 4.30 -0.23 3.92 1.02 -0.36 -4.89 118.68 124.09 2obx s LEU 111 Ca 0.08 1.80 -0.06 0.00 0.02 0.00 0.00 54.13 55.97 2obx s LEU 111 Cb -0.17 -4.05 -0.03 0.00 0.02 0.00 0.00 46.19 41.97 2obx s LEU 111 CO -0.24 -0.09 0.04 -0.55 0.02 0.00 0.00 176.35 175.53 2obx s SER 112 N -1.68 4.98 -0.18 2.29 0.15 -1.26 -2.25 113.70 115.75 2obx s SER 112 Ca 0.51 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 57.10 2obx s SER 112 Cb -0.17 -1.88 0.44 0.00 -1.71 0.00 0.00 66.02 62.70 2obx s SER 112 CO 0.22 0.01 1.19 0.00 1.20 0.00 0.00 173.24 175.87 2obx n ALA 113 N 4.63 3.54 -3.21 5.45 0.00 0.48 -4.94 120.51 126.46 2obx n ALA 113 Ca -0.17 -3.14 -0.46 0.00 0.00 0.00 0.00 53.44 49.68 2obx n ALA 113 Cb 0.51 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.83 5.38 0.21 0.00 1.01 -1.23 -2.14 120.40 120.81 2obx s VAL 114 Ca 0.39 -2.30 -0.07 0.00 0.00 0.00 0.00 61.98 59.99 2obx s VAL 114 Cb 0.38 -4.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 2obx s VAL 114 CO -0.07 -1.19 0.49 -0.76 0.00 0.00 0.00 175.10 173.57 2obx s LEU 115 N 0.80 4.19 -0.14 3.92 2.01 -0.85 -4.92 118.68 123.69 2obx s LEU 115 Ca 0.24 0.79 -0.03 0.00 0.01 0.00 0.00 54.13 55.13 2obx s LEU 115 Cb -0.08 -3.55 0.05 0.00 0.01 0.00 0.00 46.19 42.62 2obx s LEU 115 CO -0.09 -0.05 0.05 -0.89 1.01 0.00 0.00 176.35 176.39 2obx s THR 116 N -1.79 0.20 0.45 5.49 2.01 -1.26 -1.31 115.64 119.43 2obx s THR 116 Ca 0.45 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 2obx s THR 116 Cb -0.11 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.69 2obx s THR 116 CO 0.23 -0.08 0.84 -2.16 -0.69 0.00 0.00 174.62 172.77 2obx s PRO 117 N 2.02 3.78 0.13 4.92 0.04 -1.26 -4.98 135.00 139.65 2obx s PRO 117 Ca 0.02 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 61.45 2obx s PRO 117 Cb -0.15 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 2obx s PRO 117 CO -0.07 -0.15 1.75 0.45 0.04 0.00 0.00 177.00 179.03 2obx h HIS 118 N 0.96 0.16 -3.59 0.56 3.86 -2.01 -3.43 115.15 111.66 2obx h HIS 118 Ca -0.47 0.01 -0.32 0.00 -1.16 0.00 0.00 60.37 58.44 2obx h HIS 118 Cb 1.19 -0.04 -0.32 0.00 1.06 0.00 0.00 27.41 29.30 2obx h HIS 118 CO 0.62 0.08 -0.74 -0.80 0.86 0.00 0.00 177.93 177.94 2obx s ASN 119 N -5.32 0.31 -0.24 2.45 -0.87 -1.26 -4.96 114.94 105.05 2obx s ASN 119 Ca -0.13 -0.02 -0.02 0.00 -1.57 0.00 0.00 52.86 51.11 2obx s ASN 119 Cb 0.09 -0.14 0.12 0.00 -0.02 0.00 0.00 41.25 41.30 2obx s ASN 119 CO 0.69 -0.07 0.31 -0.47 -2.57 0.00 0.00 177.10 174.99 2obx s TYR 120 N 0.71 -0.57 -0.63 2.20 5.04 -1.26 -5.02 117.35 117.82 2obx s TYR 120 Ca -0.07 0.40 0.14 0.00 -2.44 0.00 0.00 57.07 55.10 2obx s TYR 120 Cb -0.10 -0.22 0.44 0.00 0.35 0.00 0.00 41.96 42.44 2obx s TYR 120 CO -0.01 -0.73 1.37 0.72 -1.34 0.00 0.00 175.55 175.55 2obx n HIS 121 N 5.34 0.78 -4.03 4.97 8.25 -1.26 -4.75 115.22 124.51 2obx n HIS 121 Ca -0.04 -0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 56.44 2obx n HIS 121 Cb 0.49 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.43 2obx n HIS 121 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2obx n ASP 122 N 0.16 -3.42 -1.90 0.41 2.03 -1.26 -4.97 116.55 107.59 2obx n ASP 122 Ca 0.17 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2obx n ASP 122 Cb 0.67 -3.34 0.00 0.00 -0.72 0.00 0.00 41.12 37.73 2obx n ASP 122 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2obx n SER 123 N -2.80 0.00 0.11 1.67 3.41 -1.26 -4.87 113.62 109.88 2obx n SER 123 Ca -0.01 -0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 57.76 2obx n SER 123 Cb 0.54 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 2obx n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2obx h ALA 124 N -1.20 -0.13 0.71 7.33 0.00 -1.99 -3.16 119.26 120.82 2obx h ALA 124 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 2obx h ALA 124 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2obx h ALA 124 CO 0.00 0.58 -0.36 0.93 0.00 0.00 0.00 179.25 180.40 2obx h GLU 125 N -0.05 -0.95 0.72 0.00 3.07 -2.00 -2.67 114.58 112.71 2obx h GLU 125 Ca -0.22 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 2obx h GLU 125 Cb 1.98 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 30.10 2obx h GLU 125 CO 0.23 -0.63 -0.46 0.45 -1.40 0.00 0.00 179.01 177.19 2obx h HIS 126 N -0.98 -1.24 -0.99 4.33 3.86 -1.96 -0.77 115.15 117.40 2obx h HIS 126 Ca -0.10 -0.01 0.31 0.00 -1.16 0.00 0.00 60.37 59.41 2obx h HIS 126 Cb 0.76 0.45 -0.15 0.00 1.06 0.00 0.00 27.41 29.53 2obx h HIS 126 CO -0.04 -0.68 0.54 1.25 0.86 0.00 0.00 177.93 179.86 2obx h HIS 127 N -1.11 0.89 -0.05 2.45 -0.00 -1.63 0.88 115.15 116.58 2obx h HIS 127 Ca -0.10 0.04 -0.22 0.00 -0.00 0.00 0.00 60.37 60.09 2obx h HIS 127 Cb 0.90 -0.23 0.02 0.00 -0.00 0.00 0.00 27.41 28.09 2obx h HIS 127 CO -0.11 -0.16 -0.83 0.00 -0.00 0.00 0.00 177.93 176.83 2obx h ARG 128 N 0.33 0.64 -0.44 5.26 3.08 -1.27 -1.96 114.38 120.03 2obx h ARG 128 Ca 0.71 -0.63 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2obx h ARG 128 Cb 1.59 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.77 2obx h ARG 128 CO -0.60 1.23 0.25 0.35 -1.07 0.00 0.00 179.97 180.13 2obx h PHE 129 N 0.29 0.47 0.00 3.04 3.57 0.66 -2.28 116.94 122.69 2obx h PHE 129 Ca -0.09 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.22 2obx h PHE 129 Cb 1.49 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 2obx h PHE 129 CO 0.11 0.26 -0.98 0.74 -2.23 0.00 0.00 178.31 176.21 2obx h PHE 130 N 0.50 0.00 -0.77 0.41 -1.00 -1.35 0.19 116.94 114.92 2obx h PHE 130 Ca 0.18 0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.00 2obx h PHE 130 Cb 0.04 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 2obx h PHE 130 CO -0.08 0.95 0.51 0.35 -1.61 0.00 0.00 178.31 178.43 2obx h PHE 131 N 0.00 0.89 0.00 -0.55 3.57 -1.18 -0.84 116.94 118.83 2obx h PHE 131 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2obx h PHE 131 Cb 1.74 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2obx h PHE 131 CO 0.00 0.51 -0.00 0.93 -2.23 0.00 0.00 178.31 177.51 2obx h GLU 132 N 0.91 -0.00 -0.05 1.11 5.08 -1.36 -3.36 114.58 116.91 2obx h GLU 132 Ca 0.32 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2obx h GLU 132 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2obx h GLU 132 CO -0.10 0.69 0.05 1.25 -1.00 0.00 0.00 179.01 179.90 2obx h HIS 133 N -0.99 0.00 0.00 4.33 2.76 -0.80 -0.43 115.15 120.02 2obx h HIS 133 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2obx h HIS 133 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2obx h HIS 133 CO 0.19 0.00 0.00 0.74 -1.30 0.00 0.00 177.93 177.56 2obx h PHE 134 N 0.00 0.00 -0.06 5.26 -1.00 -1.30 -1.14 116.94 118.71 2obx h PHE 134 Ca 0.02 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.73 2obx h PHE 134 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 2obx h PHE 134 CO 0.00 0.00 -0.27 1.15 -1.61 0.00 0.00 178.31 177.58 2obx h THR 135 N 0.00 1.44 -0.84 -1.55 2.02 -1.25 -1.82 112.91 110.92 2obx h THR 135 Ca 0.00 -1.71 0.07 0.00 0.77 0.00 0.00 66.41 65.54 2obx h THR 135 Cb 0.28 2.38 -0.06 0.00 -1.74 0.00 0.00 68.15 69.00 2obx h THR 135 CO 0.00 0.48 0.51 0.58 0.37 0.00 0.00 175.52 177.46 2obx h VAL 136 N -0.24 1.00 -0.57 3.16 2.07 -1.33 -1.73 116.25 118.61 2obx h VAL 136 Ca -0.02 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 2obx h VAL 136 Cb 0.93 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2obx h VAL 136 CO 0.06 0.17 -0.01 0.11 0.02 0.00 0.00 177.57 177.91 2obx h LYS 137 N 0.90 1.00 -0.89 1.57 1.79 -1.24 -2.14 116.57 117.56 2obx h LYS 137 Ca 0.38 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2obx h LYS 137 Cb 0.23 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 2obx h LYS 137 CO -0.20 0.99 0.56 0.78 -1.08 0.00 0.00 179.45 180.50 2obx h GLY 138 N 0.99 1.28 0.82 3.86 0.00 -0.47 0.15 103.07 109.70 2obx h GLY 138 Ca 0.16 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2obx h GLY 138 CO 0.03 0.50 0.02 0.50 0.00 0.00 0.00 176.54 177.59 2obx h LYS 139 N 1.22 0.30 -0.37 4.80 1.57 -1.18 -1.93 116.57 120.98 2obx h LYS 139 Ca 0.32 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2obx h LYS 139 Cb -0.08 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2obx h LYS 139 CO -0.06 0.49 0.16 0.93 -0.57 0.00 0.00 179.45 180.39 2obx h GLU 140 N 0.08 0.32 -0.87 3.15 5.08 -0.86 -1.53 114.58 119.95 2obx h GLU 140 Ca 0.05 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2obx h GLU 140 Cb 0.34 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2obx h GLU 140 CO 0.01 0.21 0.58 0.00 -1.00 0.00 0.00 179.01 178.80 2obx h ALA 141 N 1.22 1.41 0.71 3.43 0.00 -0.63 -0.39 119.26 125.00 2obx h ALA 141 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2obx h ALA 141 Cb 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2obx h ALA 141 CO -0.14 0.53 -0.37 0.00 0.00 0.00 0.00 179.25 179.27 2obx h ALA 142 N 1.47 -1.00 -0.83 0.00 0.00 -0.56 -0.22 119.26 118.12 2obx h ALA 142 Ca 0.33 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2obx h ALA 142 Cb -0.08 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2obx h ALA 142 CO -0.08 -1.07 0.54 0.00 0.00 0.00 0.00 179.25 178.64 2obx h ARG 143 N -0.99 0.82 -0.56 0.00 3.08 -1.07 -1.18 114.38 114.47 2obx h ARG 143 Ca -0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2obx h ARG 143 Cb 0.78 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2obx h ARG 143 CO 0.14 0.54 0.30 0.00 -1.07 0.00 0.00 179.97 179.88 2obx h ALA 144 N 1.57 0.72 0.23 0.04 0.00 -0.72 -0.14 119.26 120.97 2obx h ALA 144 Ca 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2obx h ALA 144 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2obx h ALA 144 CO -0.14 0.26 -0.11 0.00 0.00 0.00 0.00 179.25 179.25 2obx h VAL 146 N -0.36 1.23 -0.15 0.00 2.07 -1.22 -2.86 116.25 114.96 2obx h VAL 146 Ca -0.03 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2obx h VAL 146 Cb 0.28 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2obx h VAL 146 CO 0.05 0.31 -0.06 -0.33 0.02 0.00 0.00 177.57 177.56 2obx h GLU 147 N 0.93 0.30 -0.47 1.57 5.08 -0.79 -2.81 114.58 118.39 2obx h GLU 147 Ca 0.21 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2obx h GLU 147 Cb 0.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2obx h GLU 147 CO -0.01 0.61 0.08 0.97 -1.00 0.00 0.00 179.01 179.66 2obx h ILE 148 N -0.03 1.25 -0.34 3.13 6.09 -0.98 0.44 117.51 127.07 2obx h ILE 148 Ca 0.03 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 2obx h ILE 148 Cb 0.51 0.93 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 2obx h ILE 148 CO 0.02 0.32 0.21 -0.07 -3.07 0.00 0.00 178.15 175.56 2obx h LEU 149 N 0.65 0.39 -0.15 2.19 3.38 -1.57 0.41 115.31 120.60 2obx h LEU 149 Ca 0.14 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 2obx h LEU 149 Cb 0.39 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2obx h LEU 149 CO 0.01 0.30 -0.77 0.00 0.09 0.00 0.00 178.44 178.07 2obx h ALA 150 N 1.77 0.29 -0.27 1.53 0.00 -1.18 -2.75 119.26 118.65 2obx h ALA 150 Ca 0.12 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2obx h ALA 150 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2obx h ALA 150 CO -0.02 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.92 2obx h ALA 151 N 0.54 1.55 -0.08 0.00 0.00 0.43 -2.45 119.26 119.25 2obx h ALA 151 Ca -0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2obx h ALA 151 Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2obx h ALA 151 CO 0.16 0.34 -0.69 0.00 0.00 0.00 0.00 179.25 179.05 2obx h ARG 152 N 0.39 0.36 -0.04 0.00 3.08 -0.91 -2.80 114.38 114.47 2obx h ARG 152 Ca 0.09 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.87 2obx h ARG 152 Cb 0.22 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2obx h ARG 152 CO 0.00 0.91 0.09 0.93 -1.07 0.00 0.00 179.97 180.83 2obx h GLU 153 N 0.25 0.00 -1.70 0.04 4.39 -1.13 -2.08 114.58 114.34 2obx h GLU 153 Ca -0.02 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.13 2obx h GLU 153 Cb 1.25 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.69 2obx h GLU 153 CO 0.12 0.00 0.63 1.63 -1.16 0.00 0.00 179.01 180.22 2obx n LYS 154 N -3.40 2.38 0.00 2.33 4.76 -1.06 -5.13 118.16 118.05 2obx n LYS 154 Ca -0.02 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 2obx n LYS 154 Cb 0.17 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 2obx n LYS 154 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14