#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 3.81 -0.17 6.31 2.01 -1.26 -4.96 115.64 121.38 2obx s THR 11 Ca 0.00 1.57 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 2obx s THR 11 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2obx s THR 11 CO 0.00 0.28 0.25 -0.69 -0.69 0.00 0.00 174.62 173.76 2obx s VAL 12 N -0.28 5.34 -0.09 3.82 1.01 0.54 -4.95 120.40 125.78 2obx s VAL 12 Ca 0.49 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 2obx s VAL 12 Cb -0.30 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2obx s VAL 12 CO 0.35 0.41 0.31 -0.13 0.00 0.00 0.00 175.10 176.05 2obx s ARG 13 N 0.37 3.97 -0.09 2.72 1.81 -1.26 -1.20 118.95 125.27 2obx s ARG 13 Ca 0.14 0.18 0.04 0.00 -1.72 0.00 0.00 55.73 54.37 2obx s ARG 13 Cb -0.12 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.08 2obx s ARG 13 CO 0.02 0.51 -0.20 0.42 -0.68 0.00 0.00 175.30 175.37 2obx s ILE 14 N -0.40 1.76 -0.30 1.52 1.09 -0.68 0.11 121.20 124.30 2obx s ILE 14 Ca 0.19 -0.85 -0.14 0.00 -1.10 0.00 0.00 60.65 58.76 2obx s ILE 14 Cb -0.14 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 2obx s ILE 14 CO 0.08 0.49 0.31 0.00 -0.10 0.00 0.00 174.94 175.72 2obx s ALA 15 N 0.40 3.53 -0.28 9.38 0.00 -0.24 -1.82 121.76 132.73 2obx s ALA 15 Ca -0.16 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 2obx s ALA 15 Cb -0.17 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2obx s ALA 15 CO 0.07 -0.75 0.23 0.08 0.00 0.00 0.00 175.76 175.39 2obx s VAL 16 N 1.94 5.28 -0.52 0.00 1.01 -0.46 -0.13 120.40 127.52 2obx s VAL 16 Ca 0.11 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 2obx s VAL 16 Cb -0.16 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.79 2obx s VAL 16 CO 0.11 0.23 0.38 -0.69 0.00 0.00 0.00 175.10 175.13 2obx s VAL 17 N 1.82 4.17 0.03 2.92 1.01 0.49 -0.91 120.40 129.93 2obx s VAL 17 Ca 0.09 -2.05 -0.02 0.00 0.00 0.00 0.00 61.98 59.99 2obx s VAL 17 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2obx s VAL 17 CO 0.11 -0.81 0.21 0.00 0.00 0.00 0.00 175.10 174.61 2obx s ARG 18 N 1.02 3.47 0.33 2.72 1.70 -0.90 -2.03 118.95 125.25 2obx s ARG 18 Ca 0.09 -0.32 -0.07 0.00 -0.47 0.00 0.00 55.73 54.96 2obx s ARG 18 Cb -0.24 -3.06 -0.06 0.00 -0.57 0.00 0.00 34.95 31.03 2obx s ARG 18 CO -0.02 0.64 0.64 0.00 -1.08 0.00 0.00 175.30 175.47 2obx s ALA 19 N -1.41 3.52 -2.29 7.88 0.00 -0.76 -1.75 121.76 126.95 2obx s ALA 19 Ca 0.31 -0.43 0.25 0.00 0.00 0.00 0.00 51.96 52.09 2obx s ALA 19 Cb -0.13 -2.45 0.42 0.00 0.00 0.00 0.00 23.12 20.96 2obx s ALA 19 CO 0.22 0.14 1.37 0.54 0.00 0.00 0.00 175.76 178.03 2obx n ARG 20 N -1.09 1.48 -2.60 0.00 5.12 -0.09 -4.60 116.66 114.88 2obx n ARG 20 Ca -0.00 -1.10 -0.41 0.00 -1.93 0.00 0.00 57.85 54.41 2obx n ARG 20 Cb 0.54 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.32 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 -2.28 3.72 -1.24 -1.55 0.52 -1.22 -2.63 118.94 114.26 2obx s TRP 21 Ca 0.26 1.73 -0.04 0.00 0.02 0.00 0.00 56.10 58.06 2obx s TRP 21 Cb 0.19 -3.17 0.03 0.00 -1.15 0.00 0.00 33.47 29.37 2obx s TRP 21 CO 0.45 -0.21 0.27 0.72 0.02 0.00 0.00 176.95 178.20 2obx n HIS 22 N 2.02 -1.62 -0.32 -1.98 8.25 -1.26 -4.56 115.22 115.74 2obx n HIS 22 Ca 0.01 0.25 0.24 0.00 -0.26 0.00 0.00 57.72 57.96 2obx n HIS 22 Cb 0.47 -3.14 0.45 0.00 1.12 0.00 0.00 29.99 28.89 2obx n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2obx n ALA 23 N -2.90 0.79 -0.21 -1.41 0.00 -1.08 0.17 120.51 115.87 2obx n ALA 23 Ca -0.10 1.02 0.01 0.00 0.00 0.00 0.00 53.44 54.37 2obx n ALA 23 Cb 0.59 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 19.26 2obx n ALA 23 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2obx h ASP 24 N 0.00 0.12 0.00 0.00 1.82 -1.88 -1.29 116.42 115.20 2obx h ASP 24 Ca 0.73 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 57.47 2obx h ASP 24 Cb 1.78 0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.90 2obx h ASP 24 CO -0.82 0.07 -0.00 0.40 -1.61 0.00 0.00 179.24 177.27 2obx h ILE 25 N 0.34 1.67 -0.10 2.25 2.04 -0.62 -3.28 117.51 119.81 2obx h ILE 25 Ca 0.33 -2.16 0.03 0.00 1.00 0.00 0.00 64.86 64.05 2obx h ILE 25 Cb 0.46 3.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.66 2obx h ILE 25 CO -0.37 0.55 0.34 0.58 0.00 0.00 0.00 178.15 179.25 2obx h VAL 26 N -0.95 0.10 0.00 1.67 2.07 -1.21 -0.60 116.25 117.33 2obx h VAL 26 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2obx h VAL 26 Cb 0.90 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2obx h VAL 26 CO 0.00 0.00 -0.51 0.44 0.02 0.00 0.00 177.57 177.52 2obx h ASP 27 N 0.00 0.00 0.49 0.57 3.45 -1.29 -2.90 116.42 116.74 2obx h ASP 27 Ca 0.05 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.43 2obx h ASP 27 Cb 0.72 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 2obx h ASP 27 CO -0.00 0.30 -0.34 1.56 -1.57 0.00 0.00 179.24 179.19 2obx h GLN 28 N 0.00 0.00 0.19 3.56 1.08 -1.20 0.41 115.11 119.15 2obx h GLN 28 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2obx h GLN 28 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2obx h GLN 28 CO 0.04 0.34 -0.09 0.00 -0.95 0.00 0.00 178.83 178.16 2obx h VAL 30 N -0.88 0.80 -0.82 0.00 2.07 -1.29 0.61 116.25 116.72 2obx h VAL 30 Ca -0.03 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2obx h VAL 30 Cb 0.51 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2obx h VAL 30 CO 0.04 0.03 0.39 0.77 0.02 0.00 0.00 177.57 178.83 2obx h SER 31 N 0.18 1.08 0.03 0.57 4.64 -0.26 -1.39 113.55 118.40 2obx h SER 31 Ca 0.18 -0.13 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 2obx h SER 31 Cb 0.21 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2obx h SER 31 CO -0.24 0.91 -0.72 0.00 -0.87 0.00 0.00 176.83 175.91 2obx h ALA 32 N 1.25 0.47 -0.59 5.18 0.00 -0.45 -2.73 119.26 122.39 2obx h ALA 32 Ca 0.28 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2obx h ALA 32 Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2obx h ALA 32 CO -0.04 0.72 0.37 0.35 0.00 0.00 0.00 179.25 180.65 2obx h PHE 33 N 0.43 0.70 -0.51 0.00 3.57 0.55 -0.95 116.94 120.74 2obx h PHE 33 Ca -0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2obx h PHE 33 Cb 1.32 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2obx h PHE 33 CO 0.06 0.42 -0.08 0.93 -2.23 0.00 0.00 178.31 177.41 2obx h GLU 34 N 0.75 0.92 0.73 1.11 5.08 -1.25 -0.87 114.58 121.05 2obx h GLU 34 Ca 0.23 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2obx h GLU 34 Cb -0.02 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.16 2obx h GLU 34 CO -0.08 0.96 -0.35 0.00 -1.00 0.00 0.00 179.01 178.53 2obx h ALA 35 N 1.08 -0.99 -0.78 3.43 0.00 -1.12 -2.28 119.26 118.60 2obx h ALA 35 Ca 0.14 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2obx h ALA 35 Cb 0.60 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2obx h ALA 35 CO 0.04 -0.99 0.51 0.93 0.00 0.00 0.00 179.25 179.74 2obx h GLU 36 N -1.11 0.90 -0.17 0.00 4.39 -1.20 0.16 114.58 117.54 2obx h GLU 36 Ca -0.10 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.57 2obx h GLU 36 Cb 0.78 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2obx h GLU 36 CO 0.17 0.59 0.01 1.98 -1.16 0.00 0.00 179.01 180.60 2obx h MET 37 N 0.92 0.07 0.00 2.33 4.05 -1.07 0.15 114.93 121.39 2obx h MET 37 Ca 0.32 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.62 2obx h MET 37 Cb 0.10 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2obx h MET 37 CO -0.10 0.05 -0.55 0.00 0.23 0.00 0.00 176.91 176.54 2obx h ALA 38 N 1.13 0.94 -0.30 0.39 0.00 -0.86 -2.32 119.26 118.24 2obx h ALA 38 Ca 0.08 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2obx h ALA 38 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2obx h ALA 38 CO -0.12 0.69 -0.24 0.22 0.00 0.00 0.00 179.25 179.80 2obx h ASP 39 N 0.00 0.58 -0.12 0.00 1.82 0.06 -2.47 116.42 116.28 2obx h ASP 39 Ca -0.01 -0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 56.41 2obx h ASP 39 Cb 1.08 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.91 2obx h ASP 39 CO 0.07 0.81 -0.08 2.30 -1.61 0.00 0.00 179.24 180.74 2obx n ILE 40 N -4.12 2.14 -1.44 2.25 -5.35 -0.03 -4.65 119.36 108.16 2obx n ILE 40 Ca -0.00 -2.35 0.00 0.00 -0.27 0.00 0.00 62.75 60.13 2obx n ILE 40 Cb 0.42 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -1.08 1.00 7.00 3.28 0.00 -0.88 -5.04 105.19 109.47 2obx n GLY 41 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.95 1.19 -0.02 0.00 -0.93 0.98 105.19 108.35 2obx n GLY 42 Ca 0.00 0.49 0.12 0.00 0.00 0.00 0.00 46.02 46.63 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 5.68 3.54 0.23 1.61 3.85 -1.26 -4.35 116.55 125.84 2obx n ASP 43 Ca 0.00 -2.00 0.10 0.00 -0.71 0.00 0.00 54.79 52.18 2obx n ASP 43 Cb 0.00 -0.27 0.52 0.00 -1.35 0.00 0.00 41.12 40.02 2obx n ASP 43 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 2obx h ARG 44 N 4.51 0.00 -4.78 0.11 0.11 0.24 -3.42 114.38 111.16 2obx h ARG 44 Ca 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 2obx h ARG 44 Cb 1.00 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.93 2obx h ARG 44 CO 0.00 0.23 -0.70 -0.06 0.10 0.00 0.00 179.97 179.54 2obx s PHE 45 N -3.87 1.00 0.05 4.08 0.40 -1.25 -0.34 117.98 118.05 2obx s PHE 45 Ca -0.01 -0.86 0.03 0.00 -0.60 0.00 0.00 56.93 55.49 2obx s PHE 45 Cb 0.12 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 43.07 2obx s PHE 45 CO 0.63 -0.08 -0.09 0.00 0.70 0.00 0.00 175.22 176.39 2obx s ALA 46 N -3.47 0.73 -0.13 5.36 0.00 -0.34 -4.88 121.76 119.02 2obx s ALA 46 Ca 0.13 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2obx s ALA 46 Cb 0.04 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.22 2obx s ALA 46 CO -0.03 -0.02 -0.14 0.08 0.00 0.00 0.00 175.76 175.65 2obx s VAL 47 N -1.65 1.54 -0.32 0.00 1.01 -1.26 -1.69 120.40 118.02 2obx s VAL 47 Ca -0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2obx s VAL 47 Cb -0.08 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.89 2obx s VAL 47 CO 0.00 0.45 0.09 -1.81 0.00 0.00 0.00 175.10 173.83 2obx s ASP 48 N 1.33 5.19 -0.15 3.32 1.01 -0.76 -5.01 116.67 121.61 2obx s ASP 48 Ca 0.01 -0.95 -0.20 0.00 0.71 0.00 0.00 52.55 52.12 2obx s ASP 48 Cb -0.13 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 2obx s ASP 48 CO -0.08 -0.26 0.58 -0.69 0.21 0.00 0.00 175.17 174.93 2obx s VAL 49 N 1.44 5.09 -0.05 -1.27 1.01 -1.26 -1.36 120.40 124.00 2obx s VAL 49 Ca 0.00 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.17 2obx s VAL 49 Cb -0.18 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2obx s VAL 49 CO 0.02 0.22 -0.25 -0.36 0.00 0.00 0.00 175.10 174.73 2obx s PHE 50 N 1.25 2.35 0.08 5.22 0.40 -0.08 -4.97 117.98 122.22 2obx s PHE 50 Ca 0.29 -0.63 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 2obx s PHE 50 Cb -0.16 -1.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.77 2obx s PHE 50 CO 0.12 -0.16 0.48 -0.51 0.70 0.00 0.00 175.22 175.84 2obx s ASP 51 N -0.28 6.80 0.01 1.36 1.01 -1.26 -2.13 116.67 122.18 2obx s ASP 51 Ca 0.00 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.26 2obx s ASP 51 Cb -0.12 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 2obx s ASP 51 CO 0.02 0.20 -0.01 -0.69 0.21 0.00 0.00 175.17 174.90 2obx s VAL 52 N -1.31 0.04 0.05 -1.27 1.01 -0.71 -4.96 120.40 113.25 2obx s VAL 52 Ca 0.32 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2obx s VAL 52 Cb -0.16 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2obx s VAL 52 CO 0.17 -0.15 1.23 -0.65 0.00 0.00 0.00 175.10 175.70 2obx h PRO 53 N 5.69 -0.24 -4.75 2.72 0.11 -1.95 -0.22 132.00 133.37 2obx h PRO 53 Ca -0.27 0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.55 2obx h PRO 53 Cb 1.21 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 2obx h PRO 53 CO 0.48 -0.16 -0.61 0.20 -0.21 0.00 0.00 178.00 177.70 2obx s GLY 54 N -1.53 1.65 0.41 -0.55 0.00 -1.26 -2.13 107.32 103.92 2obx s GLY 54 Ca -0.06 -1.78 0.20 0.00 0.00 0.00 0.00 44.72 43.08 2obx s GLY 54 CO 0.25 -1.50 1.78 0.00 0.00 0.00 0.00 173.10 173.63 2obx h ALA 55 N 2.47 2.32 0.00 3.20 0.00 -1.93 -0.23 119.26 125.09 2obx h ALA 55 Ca -0.36 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2obx h ALA 55 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2obx h ALA 55 CO 0.55 -0.72 0.00 -0.92 0.00 0.00 0.00 179.25 178.17 2obx h TYR 56 N 0.35 0.00 -0.01 0.00 3.20 -1.96 -1.79 116.97 116.76 2obx h TYR 56 Ca 0.58 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 2obx h TYR 56 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2obx h TYR 56 CO -0.00 0.00 -0.36 0.39 -1.64 0.00 0.00 178.16 176.54 2obx n GLU 57 N -2.96 0.55 -0.03 1.82 4.71 -0.10 -4.40 120.64 120.23 2obx n GLU 57 Ca -0.01 -0.33 -0.12 0.00 -0.01 0.00 0.00 57.16 56.69 2obx n GLU 57 Cb 0.17 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.05 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 0.82 1.18 -0.45 -3.67 2.04 -1.40 -3.04 117.51 113.00 2obx h ILE 58 Ca 0.00 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.38 2obx h ILE 58 Cb 0.51 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 2obx h ILE 58 CO 0.00 0.17 -0.02 -0.65 0.00 0.00 0.00 178.15 177.65 2obx h PRO 59 N -0.00 0.09 -0.28 2.37 0.11 -1.77 0.44 132.00 132.96 2obx h PRO 59 Ca 0.04 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 2obx h PRO 59 Cb 0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2obx h PRO 59 CO -0.00 0.06 -0.18 1.25 -0.21 0.00 0.00 178.00 178.92 2obx h LEU 60 N 0.09 0.64 -0.37 2.35 5.85 -1.86 -1.08 115.31 120.93 2obx h LEU 60 Ca 0.22 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.53 2obx h LEU 60 Cb 0.33 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2obx h LEU 60 CO -0.38 0.94 0.19 -0.74 -0.34 0.00 0.00 178.44 178.10 2obx h HIS 61 N 0.35 0.36 -0.10 1.25 2.76 -1.38 0.10 115.15 118.49 2obx h HIS 61 Ca 0.06 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2obx h HIS 61 Cb 0.72 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 2obx h HIS 61 CO 0.07 0.19 0.04 0.00 -1.30 0.00 0.00 177.93 176.93 2obx h ALA 62 N 1.19 0.11 -0.45 5.26 0.00 -0.83 0.30 119.26 124.84 2obx h ALA 62 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2obx h ALA 62 Cb 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2obx h ALA 62 CO -0.10 -0.42 0.30 -0.09 0.00 0.00 0.00 179.25 178.94 2obx h ARG 63 N 0.09 0.55 -0.04 0.00 2.43 -0.78 0.35 114.38 116.98 2obx h ARG 63 Ca 0.04 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2obx h ARG 63 Cb 0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2obx h ARG 63 CO -0.04 0.36 -0.18 1.15 -1.51 0.00 0.00 179.97 179.75 2obx h THR 64 N 0.56 1.47 -0.40 0.20 2.02 0.07 -2.15 112.91 114.68 2obx h THR 64 Ca 0.17 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 2obx h THR 64 Cb 0.00 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2obx h THR 64 CO -0.04 0.45 0.22 -0.07 0.37 0.00 0.00 175.52 176.46 2obx h LEU 65 N -0.37 0.49 -1.00 2.58 3.38 -0.01 -2.58 115.31 117.80 2obx h LEU 65 Ca -0.01 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2obx h LEU 65 Cb 0.83 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2obx h LEU 65 CO 0.04 0.42 0.64 0.00 0.09 0.00 0.00 178.44 179.63 2obx h ALA 66 N 1.08 1.41 0.00 1.53 0.00 -0.35 -2.41 119.26 120.52 2obx h ALA 66 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2obx h ALA 66 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2obx h ALA 66 CO -0.02 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.01 2obx n GLU 67 N -4.53 0.31 0.00 0.00 1.02 -0.81 -2.35 120.64 114.28 2obx n GLU 67 Ca 0.16 0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.53 2obx n GLU 67 Cb 0.22 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.21 0.00 -0.99 2.62 -2.24 -0.91 -4.90 114.28 106.66 2obx n THR 68 Ca 0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2obx n THR 68 Cb 0.11 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.35 0.10 0.14 3.38 0.00 -0.99 -4.80 105.19 104.36 2obx n GLY 69 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2obx n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2obx h ARG 70 N 0.21 0.00 -6.32 1.61 3.08 -1.81 -3.47 114.38 107.68 2obx h ARG 70 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2obx h ARG 70 Cb 0.78 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.65 2obx h ARG 70 CO 0.00 0.29 -0.71 0.71 -1.07 0.00 0.00 179.97 179.19 2obx s TYR 71 N -3.05 2.86 -0.32 3.04 1.51 -1.26 -4.43 117.35 115.70 2obx s TYR 71 Ca 0.02 -0.06 0.22 0.00 -1.01 0.00 0.00 57.07 56.24 2obx s TYR 71 Cb 0.08 -1.59 0.16 0.00 -0.11 0.00 0.00 41.96 40.49 2obx s TYR 71 CO 0.76 0.37 1.32 0.78 -1.11 0.00 0.00 175.55 177.67 2obx h GLY 72 N 4.47 0.00 -3.58 0.71 0.00 0.39 -3.48 103.07 101.58 2obx h GLY 72 Ca -0.48 0.00 0.15 0.00 0.00 0.00 0.00 47.33 46.99 2obx h GLY 72 CO 0.53 0.00 0.59 0.00 0.00 0.00 0.00 176.54 177.66 2obx s ALA 73 N -3.25 -1.90 -0.08 3.60 0.00 -1.23 -4.30 121.76 114.60 2obx s ALA 73 Ca 0.03 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2obx s ALA 73 Cb 0.07 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2obx s ALA 73 CO 0.73 -0.62 -0.16 0.08 0.00 0.00 0.00 175.76 175.79 2obx s VAL 74 N -2.72 1.42 -0.26 0.00 1.01 -0.52 -1.08 120.40 118.24 2obx s VAL 74 Ca 0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2obx s VAL 74 Cb -0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2obx s VAL 74 CO -0.07 0.42 0.10 -0.22 0.00 0.00 0.00 175.10 175.33 2obx s LEU 75 N 0.56 3.63 -0.21 3.92 2.96 0.82 -1.34 118.68 129.03 2obx s LEU 75 Ca -0.16 -0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 2obx s LEU 75 Cb -0.16 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2obx s LEU 75 CO 0.05 -0.06 0.20 -0.83 -1.32 0.00 0.00 176.35 174.39 2obx s GLY 76 N 1.64 2.05 -0.01 7.98 0.00 -0.46 -0.38 107.32 118.14 2obx s GLY 76 Ca 0.06 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.09 2obx s GLY 76 CO 0.05 0.36 -0.03 -1.08 0.00 0.00 0.00 173.10 172.41 2obx s THR 77 N 0.74 0.27 -0.08 0.90 -1.32 -0.86 0.11 115.64 115.40 2obx s THR 77 Ca 0.11 -0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 2obx s THR 77 Cb -0.13 -0.27 0.11 0.00 -1.51 0.00 0.00 72.50 70.71 2obx s THR 77 CO 0.02 0.11 0.97 0.00 -2.21 0.00 0.00 174.62 173.51 2obx s ALA 78 N 0.28 -1.89 -0.48 11.08 0.00 -0.77 -1.83 121.76 128.16 2obx s ALA 78 Ca -0.03 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2obx s ALA 78 Cb -0.06 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.19 2obx s ALA 78 CO -0.01 -0.56 0.26 0.12 0.00 0.00 0.00 175.76 175.57 2obx s PHE 79 N -2.42 3.52 -0.86 0.00 5.99 -1.26 -1.53 117.98 121.41 2obx s PHE 79 Ca 0.04 -2.67 -0.14 0.00 0.00 0.00 0.00 56.93 54.16 2obx s PHE 79 Cb -0.01 -3.14 0.21 0.00 0.00 0.00 0.00 43.02 40.09 2obx s PHE 79 CO -0.05 -0.91 0.83 0.08 -0.00 0.00 0.00 175.22 175.18 2obx s VAL 80 N 0.60 5.55 0.61 3.12 1.01 -0.90 -4.85 120.40 125.54 2obx s VAL 80 Ca 0.12 -2.46 0.02 0.00 0.00 0.00 0.00 61.98 59.67 2obx s VAL 80 Cb -0.22 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.73 2obx s VAL 80 CO -0.04 -1.09 0.85 0.68 0.00 0.00 0.00 175.10 175.50 2obx s VAL 81 N 0.32 2.39 -0.45 2.92 -7.23 -1.26 -4.42 120.40 112.67 2obx s VAL 81 Ca 0.21 -0.72 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 2obx s VAL 81 Cb -0.09 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.23 2obx s VAL 81 CO -0.09 0.00 0.37 0.21 -0.31 0.00 0.00 175.10 175.29 2obx s ASN 82 N -4.59 6.14 0.00 4.85 2.47 -1.26 -4.77 114.94 117.78 2obx s ASN 82 Ca 0.62 -1.12 0.14 0.00 0.42 0.00 0.00 52.86 52.92 2obx s ASN 82 Cb -0.07 -2.18 0.65 0.00 -1.45 0.00 0.00 41.25 38.20 2obx s ASN 82 CO 0.40 -0.58 1.40 0.61 -3.72 0.00 0.00 177.10 175.21 2obx n GLY 83 N 5.18 -0.84 1.91 1.21 0.00 -1.26 -4.75 105.19 106.64 2obx n GLY 83 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.10 0.47 1.29 -0.02 0.00 -1.26 -4.86 105.19 100.71 2obx n GLY 84 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.95 0.44 -3.95 -0.61 5.41 -1.26 -5.11 119.36 111.33 2obx n ILE 85 Ca 0.00 0.15 -0.24 0.00 1.00 0.00 0.00 62.75 63.66 2obx n ILE 85 Cb 0.00 -1.26 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 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 2.57 -0.13 1.39 1.51 -1.26 -5.10 117.35 114.33 2obx s TYR 86 Ca 0.00 -0.58 -0.21 0.00 -1.01 0.00 0.00 57.07 55.28 2obx s TYR 86 Cb 0.00 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2obx s TYR 86 CO 0.00 0.06 0.60 1.03 -1.11 0.00 0.00 175.55 176.12 2obx s ARG 87 N -3.99 4.33 0.17 -0.62 0.52 -1.26 -4.59 118.95 113.51 2obx s ARG 87 Ca 0.42 0.64 0.23 0.00 -0.52 0.00 0.00 55.73 56.50 2obx s ARG 87 Cb 0.01 -3.49 0.03 0.00 0.52 0.00 0.00 34.95 32.03 2obx s ARG 87 CO 0.24 -0.00 1.05 -2.39 0.02 0.00 0.00 175.30 174.22 2obx n HIS 88 N 4.15 0.84 -0.09 -0.53 1.44 -1.26 -4.55 115.22 115.21 2obx n HIS 88 Ca -0.03 0.24 -0.06 0.00 -2.01 0.00 0.00 57.72 55.86 2obx n HIS 88 Cb 0.51 -0.87 -0.00 0.00 0.12 0.00 0.00 29.99 29.75 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 0.01 -0.63 -1.40 3.07 -1.95 -1.72 114.58 111.97 2obx h GLU 89 Ca 0.00 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 2obx h GLU 89 Cb 0.95 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.82 2obx h GLU 89 CO 0.00 0.01 0.42 0.74 -1.40 0.00 0.00 179.01 178.78 2obx h PHE 90 N 0.01 0.43 0.09 4.33 -1.00 -1.99 0.18 116.94 118.99 2obx h PHE 90 Ca 0.16 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 2obx h PHE 90 Cb 0.23 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2obx h PHE 90 CO -0.29 0.20 -0.05 0.28 -1.61 0.00 0.00 178.31 176.84 2obx h VAL 91 N 0.40 0.77 -0.70 -0.55 2.07 -1.73 -1.84 116.25 114.65 2obx h VAL 91 Ca 0.30 -1.35 0.15 0.00 0.82 0.00 0.00 66.70 66.62 2obx h VAL 91 Cb 0.62 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 2obx h VAL 91 CO -0.08 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.81 2obx h ALA 92 N -0.49 0.80 -0.35 1.67 0.00 -1.01 -1.68 119.26 118.20 2obx h ALA 92 Ca -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2obx h ALA 92 Cb 0.48 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2obx h ALA 92 CO 0.02 -0.38 0.09 1.03 0.00 0.00 0.00 179.25 180.01 2obx h SER 93 N 0.17 0.53 0.83 0.00 0.87 -0.73 -2.08 113.55 113.13 2obx h SER 93 Ca 0.39 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2obx h SER 93 Cb 0.66 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2obx h SER 93 CO -0.56 0.62 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 2obx h ALA 94 N 0.93 1.00 0.13 6.23 0.00 -0.65 -2.01 119.26 124.89 2obx h ALA 94 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 2obx h ALA 94 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2obx h ALA 94 CO 0.00 0.00 -1.68 0.28 0.00 0.00 0.00 179.25 177.85 2obx h VAL 95 N 0.00 0.87 -0.22 0.00 2.07 -1.09 -1.75 116.25 116.14 2obx h VAL 95 Ca 0.00 -2.39 -0.13 0.00 0.82 0.00 0.00 66.70 65.00 2obx h VAL 95 Cb 0.42 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2obx h VAL 95 CO 0.00 0.78 -0.42 0.40 0.02 0.00 0.00 177.57 178.35 2obx h ILE 96 N -0.13 1.30 -0.24 4.57 5.03 -1.35 -0.90 117.51 125.79 2obx h ILE 96 Ca -0.36 -1.59 -0.16 0.00 -0.12 0.00 0.00 64.86 62.64 2obx h ILE 96 Cb 1.90 1.59 -0.01 0.00 -3.03 0.00 0.00 36.82 37.28 2obx h ILE 96 CO 0.08 0.50 -0.48 0.44 -0.68 0.00 0.00 178.15 178.00 2obx h ASP 97 N 0.43 0.72 0.16 1.72 5.19 -1.50 -2.86 116.42 120.28 2obx h ASP 97 Ca 0.03 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.08 2obx h ASP 97 Cb 0.91 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.22 2obx h ASP 97 CO 0.08 1.08 -0.08 1.23 -3.12 0.00 0.00 179.24 178.43 2obx h GLY 98 N 0.97 -0.23 1.72 2.75 0.00 -0.96 -0.11 103.07 107.22 2obx h GLY 98 Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2obx h GLY 98 CO 0.10 -0.08 0.10 -0.33 0.00 0.00 0.00 176.54 176.33 2obx h MET 99 N -0.34 0.00 0.09 4.80 2.86 -1.19 0.12 114.93 121.27 2obx h MET 99 Ca -0.02 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.36 2obx h MET 99 Cb 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.93 2obx h MET 99 CO 0.04 0.00 -1.15 1.98 1.06 0.00 0.00 176.91 178.84 2obx h MET 100 N 0.00 0.35 -0.47 1.72 -1.53 -1.23 -2.62 114.93 111.15 2obx h MET 100 Ca 0.06 -0.50 -0.07 0.00 -3.44 0.00 0.00 59.70 55.74 2obx h MET 100 Cb 0.27 0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.47 2obx h MET 100 CO -0.00 1.20 0.01 -0.97 0.14 0.00 0.00 176.91 177.29 2obx h ASN 101 N 0.14 0.81 -0.09 1.39 -0.73 0.64 -2.47 115.58 115.28 2obx h ASN 101 Ca -0.12 -0.30 -0.02 0.00 1.87 0.00 0.00 56.30 57.72 2obx h ASN 101 Cb 1.84 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 40.21 2obx h ASN 101 CO 0.20 0.91 -0.02 0.58 -0.37 0.00 0.00 177.43 178.73 2obx h VAL 102 N 0.68 1.29 -0.68 2.57 2.07 -0.89 -2.21 116.25 119.08 2obx h VAL 102 Ca 0.13 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2obx h VAL 102 Cb 0.49 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2obx h VAL 102 CO 0.02 0.26 0.31 0.06 0.02 0.00 0.00 177.57 178.25 2obx h GLN 103 N -0.15 0.98 -0.22 1.57 3.07 -1.49 0.77 115.11 119.64 2obx h GLN 103 Ca 0.02 -0.15 -0.09 0.00 0.09 0.00 0.00 58.65 58.53 2obx h GLN 103 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2obx h GLN 103 CO 0.01 0.78 -0.24 -0.07 0.09 0.00 0.00 178.83 179.40 2obx h LEU 104 N 0.94 0.41 0.18 0.06 3.38 -1.46 0.61 115.31 119.43 2obx h LEU 104 Ca 0.23 -0.13 -0.30 0.00 0.09 0.00 0.00 57.88 57.77 2obx h LEU 104 Cb 0.14 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.80 2obx h LEU 104 CO -0.03 0.65 -1.34 0.77 0.09 0.00 0.00 178.44 178.58 2obx h SER 105 N 0.37 0.63 0.35 -0.43 4.64 -0.97 -3.35 113.55 114.79 2obx h SER 105 Ca 0.06 -0.66 -0.32 0.00 -0.47 0.00 0.00 61.79 60.39 2obx h SER 105 Cb 0.62 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2obx h SER 105 CO 0.04 1.52 -1.71 0.71 -0.87 0.00 0.00 176.83 176.52 2obx h THR 106 N 0.12 0.93 0.00 2.95 1.35 -0.83 -3.48 112.91 113.94 2obx h THR 106 Ca -0.19 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 2obx h THR 106 Cb 2.05 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 71.10 2obx h THR 106 CO 0.24 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 2obx n GLY 107 N 1.75 0.77 3.77 5.82 0.00 0.21 -5.07 105.19 112.44 2obx n GLY 107 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.11 5.40 0.36 1.61 1.01 -1.18 -4.99 120.40 120.49 2obx s VAL 108 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 2obx s VAL 108 Cb 0.00 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 2obx s VAL 108 CO 0.00 0.48 1.30 -2.65 0.00 0.00 0.00 175.10 174.23 2obx n PRO 109 N 3.12 2.13 -3.64 2.72 -0.02 -1.26 -4.38 135.00 133.67 2obx n PRO 109 Ca -0.16 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 2obx n PRO 109 Cb 0.53 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 2obx n PRO 109 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2obx s VAL 110 N -1.11 0.36 0.39 -1.45 1.01 -1.26 -1.44 120.40 116.91 2obx s VAL 110 Ca 0.56 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2obx s VAL 110 Cb -0.55 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 2obx s VAL 110 CO 0.62 -0.60 0.85 -0.76 0.00 0.00 0.00 175.10 175.21 2obx s LEU 111 N 1.89 3.96 -0.20 3.92 1.02 -0.45 -4.91 118.68 123.91 2obx s LEU 111 Ca 0.07 1.48 -0.06 0.00 0.02 0.00 0.00 54.13 55.64 2obx s LEU 111 Cb -0.17 -4.32 -0.03 0.00 0.02 0.00 0.00 46.19 41.70 2obx s LEU 111 CO -0.26 -0.32 0.02 -0.55 0.02 0.00 0.00 176.35 175.25 2obx s SER 112 N -2.36 5.01 -0.10 2.29 0.15 -1.26 -1.36 113.70 116.08 2obx s SER 112 Ca 0.58 -0.15 0.17 0.00 0.70 0.00 0.00 55.95 57.25 2obx s SER 112 Cb -0.10 -1.86 0.38 0.00 -1.71 0.00 0.00 66.02 62.74 2obx s SER 112 CO 0.17 0.08 1.18 0.00 1.20 0.00 0.00 173.24 175.87 2obx n ALA 113 N 4.16 2.89 -3.21 5.45 0.00 0.30 -4.93 120.51 125.16 2obx n ALA 113 Ca -0.17 -2.68 -0.46 0.00 0.00 0.00 0.00 53.44 50.13 2obx n ALA 113 Cb 0.52 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.59 5.43 0.07 0.00 1.01 -1.19 -1.84 120.40 122.29 2obx s VAL 114 Ca 0.33 -2.41 -0.11 0.00 0.00 0.00 0.00 61.98 59.79 2obx s VAL 114 Cb 0.35 -4.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2obx s VAL 114 CO -0.10 -1.20 0.42 -0.76 0.00 0.00 0.00 175.10 173.46 2obx s LEU 115 N 0.64 4.37 -0.20 3.92 2.01 -0.58 -4.88 118.68 123.96 2obx s LEU 115 Ca 0.25 0.86 0.01 0.00 0.01 0.00 0.00 54.13 55.26 2obx s LEU 115 Cb -0.08 -2.94 0.05 0.00 0.01 0.00 0.00 46.19 43.22 2obx s LEU 115 CO -0.08 0.19 -0.09 -0.89 1.01 0.00 0.00 176.35 176.49 2obx s THR 116 N -1.35 1.57 0.75 5.49 2.01 -1.26 -2.11 115.64 120.74 2obx s THR 116 Ca 0.32 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2obx s THR 116 Cb -0.15 -1.69 0.04 0.00 0.01 0.00 0.00 72.50 70.71 2obx s THR 116 CO 0.17 0.10 1.09 -2.16 -0.69 0.00 0.00 174.62 173.14 2obx s PRO 117 N 1.42 2.46 0.11 4.92 0.04 -1.26 -4.96 135.00 137.74 2obx s PRO 117 Ca -0.02 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.52 2obx s PRO 117 Cb -0.17 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2obx s PRO 117 CO -0.08 -1.35 1.41 0.45 0.04 0.00 0.00 177.00 177.47 2obx h HIS 118 N -0.89 0.99 -3.27 0.56 3.86 -2.00 -3.45 115.15 110.93 2obx h HIS 118 Ca -0.46 -0.33 -0.22 0.00 -1.16 0.00 0.00 60.37 58.21 2obx h HIS 118 Cb 1.25 -0.20 -0.29 0.00 1.06 0.00 0.00 27.41 29.24 2obx h HIS 118 CO 0.50 1.12 -0.56 -0.80 0.86 0.00 0.00 177.93 179.05 2obx s ASN 119 N -6.76 -0.15 -0.24 2.45 -0.87 -1.26 -4.96 114.94 103.16 2obx s ASN 119 Ca -0.12 0.33 -0.03 0.00 -1.57 0.00 0.00 52.86 51.47 2obx s ASN 119 Cb 0.09 0.26 0.13 0.00 -0.02 0.00 0.00 41.25 41.71 2obx s ASN 119 CO 0.86 -0.11 0.39 -0.47 -2.57 0.00 0.00 177.10 175.20 2obx s TYR 120 N 0.74 -0.86 -0.89 2.20 5.04 -1.26 -5.04 117.35 117.28 2obx s TYR 120 Ca -0.05 0.99 0.10 0.00 -2.44 0.00 0.00 57.07 55.66 2obx s TYR 120 Cb -0.07 0.09 0.30 0.00 0.35 0.00 0.00 41.96 42.63 2obx s TYR 120 CO -0.04 -0.69 1.25 0.72 -1.34 0.00 0.00 175.55 175.45 2obx n HIS 121 N 5.37 0.45 -1.08 4.97 8.25 -1.26 -4.70 115.22 127.23 2obx n HIS 121 Ca -0.04 -0.50 -0.03 0.00 -0.26 0.00 0.00 57.72 56.89 2obx n HIS 121 Cb 0.50 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 2obx n HIS 121 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2obx n ASP 122 N 0.47 -3.75 -4.79 0.41 8.00 -1.26 -5.01 116.55 110.63 2obx n ASP 122 Ca 0.11 0.07 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 2obx n ASP 122 Cb 0.43 -1.49 0.01 0.00 -0.02 0.00 0.00 41.12 40.05 2obx n ASP 122 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2obx s SER 123 N -2.46 5.73 0.18 -2.24 1.04 -1.26 -4.85 113.70 109.84 2obx s SER 123 Ca 0.00 1.90 -0.14 0.00 0.48 0.00 0.00 55.95 58.19 2obx s SER 123 Cb 0.00 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.73 2obx s SER 123 CO 0.00 -1.20 1.69 0.00 0.98 0.00 0.00 173.24 174.71 2obx h ALA 124 N 0.60 0.43 -0.48 5.32 0.00 -2.00 -1.15 119.26 121.99 2obx h ALA 124 Ca -0.48 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.64 2obx h ALA 124 Cb 1.23 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2obx h ALA 124 CO 0.57 -0.38 0.15 0.93 0.00 0.00 0.00 179.25 180.52 2obx h GLU 125 N 0.12 0.30 -0.82 0.00 3.07 -1.99 -0.25 114.58 115.01 2obx h GLU 125 Ca 0.23 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 2obx h GLU 125 Cb 0.34 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 2obx h GLU 125 CO -0.38 0.20 0.45 0.45 -1.40 0.00 0.00 179.01 178.33 2obx h HIS 126 N 0.31 1.13 0.01 4.33 3.86 -1.72 -1.50 115.15 121.58 2obx h HIS 126 Ca 0.23 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2obx h HIS 126 Cb 0.27 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2obx h HIS 126 CO -0.18 0.79 -0.01 1.25 0.86 0.00 0.00 177.93 180.64 2obx h HIS 127 N 1.14 -0.02 -0.40 2.45 6.17 -0.68 -2.81 115.15 121.01 2obx h HIS 127 Ca 0.29 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.44 2obx h HIS 127 Cb 0.03 0.01 -0.06 0.00 2.52 0.00 0.00 27.41 29.90 2obx h HIS 127 CO 0.00 0.32 0.03 -0.09 0.71 0.00 0.00 177.93 178.90 2obx h ARG 128 N -0.35 0.13 -0.02 5.26 2.43 -0.92 0.28 114.38 121.19 2obx h ARG 128 Ca -0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2obx h ARG 128 Cb 0.34 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2obx h ARG 128 CO 0.00 0.09 -0.20 0.35 -1.51 0.00 0.00 179.97 178.70 2obx h PHE 129 N 0.14 -0.54 0.00 2.20 3.57 -1.26 -2.00 116.94 119.05 2obx h PHE 129 Ca 0.20 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 2obx h PHE 129 Cb 0.27 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2obx h PHE 129 CO -0.25 -0.29 -0.41 0.74 -2.23 0.00 0.00 178.31 175.87 2obx h PHE 130 N -0.32 0.00 -0.90 0.41 -1.00 -1.24 0.61 116.94 114.51 2obx h PHE 130 Ca 0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 2obx h PHE 130 Cb 0.40 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.92 2obx h PHE 130 CO -0.26 0.41 0.49 0.35 -1.61 0.00 0.00 178.31 177.70 2obx h PHE 131 N 0.00 1.23 0.00 -0.55 3.57 -0.11 -1.52 116.94 119.57 2obx h PHE 131 Ca -0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2obx h PHE 131 Cb 1.02 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2obx h PHE 131 CO 0.00 0.85 -0.14 0.93 -2.23 0.00 0.00 178.31 177.73 2obx h GLU 132 N 1.26 0.09 0.00 1.11 5.08 -1.09 -3.36 114.58 117.66 2obx h GLU 132 Ca 0.32 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2obx h GLU 132 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2obx h GLU 132 CO -0.05 0.88 -0.25 1.25 -1.00 0.00 0.00 179.01 179.84 2obx h HIS 133 N -0.67 0.00 0.00 4.33 2.76 -0.78 -2.25 115.15 118.54 2obx h HIS 133 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2obx h HIS 133 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2obx h HIS 133 CO 0.20 0.25 0.00 0.74 -1.30 0.00 0.00 177.93 177.82 2obx h PHE 134 N 0.00 0.00 -0.28 5.26 -1.00 -1.42 -0.23 116.94 119.27 2obx h PHE 134 Ca -0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.63 2obx h PHE 134 Cb 0.47 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 2obx h PHE 134 CO 0.00 0.00 -0.39 1.15 -1.61 0.00 0.00 178.31 177.46 2obx h THR 135 N 0.00 1.30 -0.31 -1.55 2.02 -1.56 0.78 112.91 113.59 2obx h THR 135 Ca 0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2obx h THR 135 Cb 0.23 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2obx h THR 135 CO 0.00 0.51 0.20 0.58 0.37 0.00 0.00 175.52 177.18 2obx h VAL 136 N 0.51 1.08 -0.23 3.16 2.07 -1.14 -1.76 116.25 119.94 2obx h VAL 136 Ca 0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2obx h VAL 136 Cb 0.98 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2obx h VAL 136 CO 0.09 0.08 0.11 0.11 0.02 0.00 0.00 177.57 177.98 2obx h LYS 137 N 0.41 0.34 -0.67 1.57 1.79 -1.29 -1.89 116.57 116.83 2obx h LYS 137 Ca 0.11 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.66 2obx h LYS 137 Cb -0.05 -0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 30.45 2obx h LYS 137 CO -0.02 0.35 0.17 0.78 -1.08 0.00 0.00 179.45 179.65 2obx h GLY 138 N 0.24 0.91 1.01 3.86 0.00 -0.53 0.27 103.07 108.83 2obx h GLY 138 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2obx h GLY 138 CO -0.01 -0.14 0.35 0.50 0.00 0.00 0.00 176.54 177.24 2obx h LYS 139 N 0.29 1.04 -0.52 4.80 1.57 -1.06 -2.09 116.57 120.60 2obx h LYS 139 Ca 0.36 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2obx h LYS 139 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2obx h LYS 139 CO -0.44 0.82 0.14 0.93 -0.57 0.00 0.00 179.45 180.33 2obx h GLU 140 N 1.01 0.78 -0.05 3.15 5.08 -0.24 -2.34 114.58 121.97 2obx h GLU 140 Ca 0.25 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2obx h GLU 140 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2obx h GLU 140 CO -0.03 0.69 -0.30 0.00 -1.00 0.00 0.00 179.01 178.37 2obx h ALA 141 N 1.40 1.40 0.08 3.43 0.00 0.11 -1.47 119.26 124.20 2obx h ALA 141 Ca 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2obx h ALA 141 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2obx h ALA 141 CO -0.01 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.64 2obx h ALA 142 N 1.61 -0.10 -0.38 0.00 0.00 -0.95 -0.22 119.26 119.22 2obx h ALA 142 Ca 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2obx h ALA 142 Cb 0.59 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2obx h ALA 142 CO 0.04 -0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.04 2obx h ARG 143 N -0.52 0.23 -0.02 0.00 3.08 -1.37 0.11 114.38 115.88 2obx h ARG 143 Ca -0.01 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2obx h ARG 143 Cb 0.44 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2obx h ARG 143 CO 0.02 0.15 -0.19 0.00 -1.07 0.00 0.00 179.97 178.88 2obx h ALA 144 N 1.27 -0.21 -0.38 0.04 0.00 -1.22 0.15 119.26 118.90 2obx h ALA 144 Ca 0.18 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2obx h ALA 144 Cb 0.19 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2obx h ALA 144 CO -0.21 -0.67 0.15 0.00 0.00 0.00 0.00 179.25 178.51 2obx h VAL 146 N 0.31 1.07 -0.08 0.00 2.07 -0.41 -3.05 116.25 116.16 2obx h VAL 146 Ca 0.17 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2obx h VAL 146 Cb 0.13 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2obx h VAL 146 CO -0.16 0.06 0.03 -0.33 0.02 0.00 0.00 177.57 177.19 2obx h GLU 147 N -0.05 0.12 -0.47 1.57 5.08 -0.50 -2.07 114.58 118.26 2obx h GLU 147 Ca 0.01 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2obx h GLU 147 Cb 0.08 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2obx h GLU 147 CO -0.00 0.25 0.06 0.97 -1.00 0.00 0.00 179.01 179.29 2obx h ILE 148 N -0.03 0.71 -0.82 3.13 6.09 -0.77 0.37 117.51 126.18 2obx h ILE 148 Ca 0.03 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.44 2obx h ILE 148 Cb 0.18 0.50 -0.04 0.00 0.47 0.00 0.00 36.82 37.93 2obx h ILE 148 CO -0.00 0.03 0.45 -0.07 -3.07 0.00 0.00 178.15 175.50 2obx h LEU 149 N 0.19 1.02 -0.79 2.19 3.38 -1.50 -1.10 115.31 118.70 2obx h LEU 149 Ca 0.23 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2obx h LEU 149 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2obx h LEU 149 CO -0.33 0.82 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 2obx h ALA 150 N 1.35 0.99 -0.51 1.53 0.00 -0.44 -2.98 119.26 119.20 2obx h ALA 150 Ca 0.29 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2obx h ALA 150 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2obx h ALA 150 CO -0.05 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.86 2obx h ALA 151 N 1.15 1.14 -0.08 0.00 0.00 0.75 -2.80 119.26 119.42 2obx h ALA 151 Ca 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2obx h ALA 151 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2obx h ALA 151 CO 0.03 0.56 -0.43 0.00 0.00 0.00 0.00 179.25 179.41 2obx h ARG 152 N 0.77 0.18 -0.56 0.00 3.08 -1.10 -2.80 114.38 113.95 2obx h ARG 152 Ca 0.16 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.13 2obx h ARG 152 Cb 0.40 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2obx h ARG 152 CO 0.01 0.58 0.37 0.93 -1.07 0.00 0.00 179.97 180.79 2obx h GLU 153 N 0.15 0.73 0.00 0.04 5.08 -1.38 -1.13 114.58 118.07 2obx h GLU 153 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2obx h GLU 153 Cb 0.82 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2obx h GLU 153 CO 0.06 0.48 0.00 0.87 -1.00 0.00 0.00 179.01 179.43 2obx h LYS 154 N 0.75 0.00 -6.58 2.33 1.57 -1.47 -3.41 116.57 109.76 2obx h LYS 154 Ca 0.20 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.41 2obx h LYS 154 Cb -0.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.15 2obx h LYS 154 CO -0.04 0.00 0.85 0.42 -0.57 0.00 0.00 179.45 180.11 2obx s ILE 155 N -3.74 4.27 -0.96 1.86 1.01 -0.43 -4.91 121.20 118.30 2obx s ILE 155 Ca -0.00 1.14 -0.21 0.00 0.00 0.00 0.00 60.65 61.58 2obx s ILE 155 Cb 0.10 -4.56 -0.11 0.00 0.01 0.00 0.00 42.46 37.89 2obx s ILE 155 CO 0.48 -0.95 1.94 0.00 0.00 0.00 0.00 174.94 176.41 2obx n ALA 156 N 7.66 3.16 0.00 9.38 0.00 -1.26 -5.03 120.51 134.42 2obx n ALA 156 Ca 0.11 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.22 2obx n ALA 156 Cb 0.49 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.35 2obx n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50