#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 2.98 -0.12 6.31 2.01 -1.26 -5.00 115.64 120.55 2obx s THR 11 Ca 0.00 0.80 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2obx s THR 11 Cb 0.00 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2obx s THR 11 CO 0.00 0.12 0.39 -0.69 -0.69 0.00 0.00 174.62 173.74 2obx s VAL 12 N 0.18 5.22 -0.20 3.82 1.01 -0.24 -4.93 120.40 125.26 2obx s VAL 12 Ca 0.59 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.24 2obx s VAL 12 Cb -0.39 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2obx s VAL 12 CO 0.39 0.39 0.10 -0.13 0.00 0.00 0.00 175.10 175.85 2obx s ARG 13 N 0.33 4.06 -0.13 2.72 0.52 -1.26 -0.59 118.95 124.60 2obx s ARG 13 Ca 0.22 -0.29 -0.03 0.00 -0.52 0.00 0.00 55.73 55.11 2obx s ARG 13 Cb -0.14 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2obx s ARG 13 CO 0.08 0.24 -0.03 0.42 0.02 0.00 0.00 175.30 176.03 2obx s ILE 14 N 0.50 3.99 -0.12 1.52 1.09 0.15 -0.80 121.20 127.52 2obx s ILE 14 Ca 0.06 -0.34 -0.05 0.00 -1.10 0.00 0.00 60.65 59.22 2obx s ILE 14 Cb -0.12 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 2obx s ILE 14 CO 0.00 0.52 0.06 0.00 -0.10 0.00 0.00 174.94 175.42 2obx s ALA 15 N -0.00 3.50 -0.17 9.38 0.00 -0.79 -0.44 121.76 133.24 2obx s ALA 15 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2obx s ALA 15 Cb -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.26 2obx s ALA 15 CO 0.02 0.50 -0.16 0.08 0.00 0.00 0.00 175.76 176.21 2obx s VAL 16 N -0.64 2.50 -0.45 0.00 1.01 0.01 0.05 120.40 122.89 2obx s VAL 16 Ca 0.11 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 2obx s VAL 16 Cb -0.12 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.30 2obx s VAL 16 CO 0.02 0.51 0.31 -0.69 0.00 0.00 0.00 175.10 175.25 2obx s VAL 17 N 1.07 4.13 -0.10 2.92 1.01 0.89 -0.66 120.40 129.67 2obx s VAL 17 Ca -0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.26 2obx s VAL 17 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2obx s VAL 17 CO -0.05 -0.68 0.01 0.00 0.00 0.00 0.00 175.10 174.37 2obx s ARG 18 N 1.36 3.08 0.51 2.72 1.70 -0.91 -1.82 118.95 125.59 2obx s ARG 18 Ca 0.05 -0.40 -0.09 0.00 -0.47 0.00 0.00 55.73 54.82 2obx s ARG 18 Cb -0.25 -2.83 -0.05 0.00 -0.57 0.00 0.00 34.95 31.26 2obx s ARG 18 CO -0.00 0.66 0.87 0.00 -1.08 0.00 0.00 175.30 175.75 2obx s ALA 19 N -0.75 3.28 -2.79 7.88 0.00 -0.81 -1.35 121.76 127.22 2obx s ALA 19 Ca 0.12 -0.28 0.25 0.00 0.00 0.00 0.00 51.96 52.05 2obx s ALA 19 Cb -0.12 -2.80 0.35 0.00 0.00 0.00 0.00 23.12 20.56 2obx s ALA 19 CO 0.02 -0.39 1.35 0.54 0.00 0.00 0.00 175.76 177.28 2obx n ARG 20 N -2.20 2.06 -2.49 0.00 5.12 -0.10 -4.64 116.66 114.40 2obx n ARG 20 Ca 0.03 -1.62 -0.42 0.00 -1.93 0.00 0.00 57.85 53.91 2obx n ARG 20 Cb 0.54 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 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 -2.06 3.52 -1.46 -1.55 0.52 -1.19 -2.38 118.94 114.35 2obx s TRP 21 Ca 0.29 1.47 -0.09 0.00 0.02 0.00 0.00 56.10 57.79 2obx s TRP 21 Cb 0.20 -3.33 0.04 0.00 -1.15 0.00 0.00 33.47 29.23 2obx s TRP 21 CO 0.34 -0.86 0.86 0.72 0.02 0.00 0.00 176.95 178.02 2obx n HIS 22 N 3.32 -2.31 -0.27 -1.98 8.25 -1.26 -4.56 115.22 116.41 2obx n HIS 22 Ca 0.06 0.76 0.06 0.00 -0.26 0.00 0.00 57.72 58.34 2obx n HIS 22 Cb 0.47 -4.34 0.18 0.00 1.12 0.00 0.00 29.99 27.42 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 1.00 0.85 -0.67 -1.41 0.00 -1.73 -0.04 119.26 117.25 2obx h ALA 23 Ca -0.54 0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2obx h ALA 23 Cb 1.36 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 2obx h ALA 23 CO 0.59 -0.44 -0.28 0.22 0.00 0.00 0.00 179.25 179.34 2obx h ASP 24 N 0.10 -1.00 -0.08 0.00 1.82 -1.88 0.16 116.42 115.54 2obx h ASP 24 Ca 0.44 0.23 -0.14 0.00 -0.39 0.00 0.00 57.03 57.17 2obx h ASP 24 Cb 0.79 0.54 0.01 0.00 0.68 0.00 0.00 39.33 41.35 2obx h ASP 24 CO -0.70 -0.28 -0.49 0.40 -1.61 0.00 0.00 179.24 176.56 2obx h ILE 25 N -0.09 1.39 -0.79 2.25 2.04 -1.43 -3.25 117.51 117.63 2obx h ILE 25 Ca 0.28 -1.85 0.05 0.00 1.00 0.00 0.00 64.86 64.34 2obx h ILE 25 Cb 0.55 2.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.86 2obx h ILE 25 CO -0.73 0.55 0.49 0.58 0.00 0.00 0.00 178.15 179.04 2obx h VAL 26 N 0.03 1.05 0.00 1.67 2.07 -0.73 -1.82 116.25 118.52 2obx h VAL 26 Ca -0.04 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2obx h VAL 26 Cb 1.15 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2obx h VAL 26 CO 0.10 0.16 -0.05 0.44 0.02 0.00 0.00 177.57 178.25 2obx h ASP 27 N 0.90 0.00 -0.36 0.57 3.45 -0.75 -1.18 116.42 119.05 2obx h ASP 27 Ca 0.34 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.74 2obx h ASP 27 Cb 0.13 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2obx h ASP 27 CO -0.16 0.05 0.02 1.56 -1.57 0.00 0.00 179.24 179.13 2obx h GLN 28 N 0.00 0.72 -0.17 3.56 1.08 -1.36 -0.71 115.11 118.23 2obx h GLN 28 Ca -0.00 -0.18 -0.20 0.00 -1.45 0.00 0.00 58.65 56.82 2obx h GLN 28 Cb 0.14 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2obx h GLN 28 CO 0.01 0.72 -0.69 0.00 -0.95 0.00 0.00 178.83 177.92 2obx h VAL 30 N 0.50 0.98 -0.32 0.00 2.07 -1.13 0.45 116.25 118.80 2obx h VAL 30 Ca -0.04 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2obx h VAL 30 Cb 1.31 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2obx h VAL 30 CO 0.14 0.08 0.08 0.77 0.02 0.00 0.00 177.57 178.67 2obx h SER 31 N -0.31 0.48 -0.83 0.57 4.64 -1.23 0.70 113.55 117.57 2obx h SER 31 Ca -0.02 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 2obx h SER 31 Cb 0.26 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 2obx h SER 31 CO 0.03 0.58 0.54 0.00 -0.87 0.00 0.00 176.83 177.11 2obx h ALA 32 N 0.92 1.53 0.80 5.18 0.00 -1.37 0.32 119.26 126.63 2obx h ALA 32 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2obx h ALA 32 Cb 0.29 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2obx h ALA 32 CO 0.00 0.37 -0.38 0.35 0.00 0.00 0.00 179.25 179.59 2obx h PHE 33 N 0.98 -0.99 -0.43 0.00 3.57 -0.32 -1.86 116.94 117.88 2obx h PHE 33 Ca 0.34 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.90 2obx h PHE 33 Cb 0.11 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 2obx h PHE 33 CO -0.00 -0.60 -0.07 0.93 -2.23 0.00 0.00 178.31 176.33 2obx h GLU 34 N -1.16 0.03 -0.26 1.11 5.08 -0.39 0.29 114.58 119.28 2obx h GLU 34 Ca -0.11 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2obx h GLU 34 Cb 0.83 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2obx h GLU 34 CO 0.18 0.02 0.13 0.00 -1.00 0.00 0.00 179.01 178.35 2obx h ALA 35 N 1.42 1.75 0.06 3.43 0.00 -0.93 -1.28 119.26 123.72 2obx h ALA 35 Ca 0.21 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 2obx h ALA 35 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2obx h ALA 35 CO -0.42 0.21 -1.23 0.93 0.00 0.00 0.00 179.25 178.74 2obx h GLU 36 N 0.35 0.13 0.00 0.00 4.39 -0.36 -2.17 114.58 116.92 2obx h GLU 36 Ca 0.09 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 2obx h GLU 36 Cb 0.02 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2obx h GLU 36 CO -0.01 1.04 -0.34 1.98 -1.16 0.00 0.00 179.01 180.52 2obx h MET 37 N 0.04 0.00 0.06 2.33 4.05 0.14 -1.93 114.93 119.62 2obx h MET 37 Ca -0.11 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.00 2obx h MET 37 Cb 1.90 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.67 2obx h MET 37 CO 0.15 0.34 -1.66 0.00 0.23 0.00 0.00 176.91 175.97 2obx h ALA 38 N 1.66 0.52 -0.44 0.39 0.00 -1.29 -3.37 119.26 116.72 2obx h ALA 38 Ca -0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 54.91 53.49 2obx h ALA 38 Cb 0.66 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2obx h ALA 38 CO 0.04 1.37 -0.20 0.22 0.00 0.00 0.00 179.25 180.69 2obx h ASP 39 N 0.04 0.89 -2.04 0.00 1.82 -1.17 -0.92 116.42 115.04 2obx h ASP 39 Ca -0.28 -0.32 -0.73 0.00 -0.39 0.00 0.00 57.03 55.31 2obx h ASP 39 Cb 2.00 -0.24 -0.31 0.00 0.68 0.00 0.00 39.33 41.46 2obx h ASP 39 CO 0.11 1.06 0.58 2.30 -1.61 0.00 0.00 179.24 181.68 2obx n ILE 40 N -4.12 4.14 0.00 2.25 -5.35 -0.75 -4.60 119.36 110.94 2obx n ILE 40 Ca 0.00 -5.07 0.00 0.00 -0.27 0.00 0.00 62.75 57.41 2obx n ILE 40 Cb 0.43 -1.36 0.00 0.00 -1.74 0.00 0.00 39.64 36.97 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 -0.35 0.43 3.05 3.28 0.00 -1.24 -4.98 105.19 105.38 2obx n GLY 41 Ca 0.47 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.30 4.34 -0.02 0.00 -0.35 -1.92 105.19 103.94 2obx n GLY 42 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.54 0.00 0.20 1.61 5.68 -1.26 -4.62 116.55 120.71 2obx n ASP 43 Ca 0.06 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.42 2obx n ASP 43 Cb 0.46 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.86 2obx n ASP 43 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2obx h ARG 44 N 0.00 0.00 -5.64 0.11 -0.00 -1.77 -3.44 114.38 103.64 2obx h ARG 44 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.45 2obx h ARG 44 Cb 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 29.97 29.69 2obx h ARG 44 CO 0.00 0.32 -0.83 -0.06 -0.00 0.00 0.00 179.97 179.41 2obx s PHE 45 N -3.81 1.51 -0.06 4.08 0.40 -1.25 -1.07 117.98 117.78 2obx s PHE 45 Ca -0.01 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2obx s PHE 45 Cb 0.12 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.70 2obx s PHE 45 CO 0.67 0.01 -0.20 0.00 0.70 0.00 0.00 175.22 176.40 2obx s ALA 46 N -0.56 1.83 -0.23 5.36 0.00 0.24 -4.94 121.76 123.46 2obx s ALA 46 Ca 0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2obx s ALA 46 Cb -0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2obx s ALA 46 CO 0.00 0.31 -0.00 0.08 0.00 0.00 0.00 175.76 176.15 2obx s VAL 47 N 0.11 3.72 -0.23 0.00 1.01 -1.26 0.29 120.40 124.04 2obx s VAL 47 Ca -0.08 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2obx s VAL 47 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2obx s VAL 47 CO 0.04 0.38 0.07 -1.81 0.00 0.00 0.00 175.10 173.79 2obx s ASP 48 N 1.53 5.35 -0.21 3.32 1.01 0.41 -4.97 116.67 123.11 2obx s ASP 48 Ca 0.06 -0.09 -0.11 0.00 0.71 0.00 0.00 52.55 53.11 2obx s ASP 48 Cb -0.15 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 2obx s ASP 48 CO -0.01 0.04 0.18 -0.69 0.21 0.00 0.00 175.17 174.91 2obx s VAL 49 N 1.17 5.36 0.02 -1.27 1.01 -1.26 -0.81 120.40 124.62 2obx s VAL 49 Ca 0.05 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.38 2obx s VAL 49 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2obx s VAL 49 CO 0.03 0.38 -0.25 -0.36 0.00 0.00 0.00 175.10 174.90 2obx s PHE 50 N 0.74 2.21 -0.02 5.22 0.40 0.17 -4.96 117.98 121.74 2obx s PHE 50 Ca 0.10 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2obx s PHE 50 Cb -0.13 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2obx s PHE 50 CO 0.02 0.06 0.21 -0.51 0.70 0.00 0.00 175.22 175.70 2obx s ASP 51 N -0.97 6.43 0.04 1.36 1.01 -1.26 -2.15 116.67 121.13 2obx s ASP 51 Ca 0.10 0.45 0.02 0.00 0.71 0.00 0.00 52.55 53.84 2obx s ASP 51 Cb -0.10 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 2obx s ASP 51 CO 0.01 0.28 -0.07 -0.69 0.21 0.00 0.00 175.17 174.90 2obx s VAL 52 N -1.28 0.50 0.01 -1.27 1.01 -0.45 -4.93 120.40 113.99 2obx s VAL 52 Ca 0.26 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2obx s VAL 52 Cb -0.13 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 2obx s VAL 52 CO 0.16 -0.42 1.03 -0.65 0.00 0.00 0.00 175.10 175.22 2obx h PRO 53 N 4.44 -0.39 -5.35 2.72 0.11 -1.94 -0.39 132.00 131.20 2obx h PRO 53 Ca -0.35 0.03 -0.44 0.00 0.11 0.00 0.00 66.00 65.35 2obx h PRO 53 Cb 1.20 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 2obx h PRO 53 CO 0.42 -0.26 -0.68 0.20 -0.21 0.00 0.00 178.00 177.47 2obx s GLY 54 N -1.51 1.61 0.41 -0.55 0.00 -1.26 -0.93 107.32 105.10 2obx s GLY 54 Ca -0.06 -1.79 0.22 0.00 0.00 0.00 0.00 44.72 43.09 2obx s GLY 54 CO 0.18 -1.75 1.74 0.00 0.00 0.00 0.00 173.10 173.27 2obx h ALA 55 N 2.43 2.37 0.00 3.20 0.00 -1.93 0.39 119.26 125.72 2obx h ALA 55 Ca -0.39 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2obx h ALA 55 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2obx h ALA 55 CO 0.65 -0.82 0.00 -0.92 0.00 0.00 0.00 179.25 178.16 2obx h TYR 56 N 0.31 0.00 0.00 0.00 3.20 -1.96 -1.11 116.97 117.42 2obx h TYR 56 Ca 0.64 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.51 2obx h TYR 56 Cb 1.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.03 2obx h TYR 56 CO -0.00 0.00 -0.90 0.39 -1.64 0.00 0.00 178.16 176.01 2obx n GLU 57 N -2.37 0.45 -0.06 1.82 4.71 0.14 -4.53 120.64 120.80 2obx n GLU 57 Ca -0.01 0.08 -0.08 0.00 -0.01 0.00 0.00 57.16 57.15 2obx n GLU 57 Cb 0.10 -1.74 -0.02 0.00 -1.01 0.00 0.00 31.44 28.77 2obx n GLU 57 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2obx h ILE 58 N 0.00 0.71 -0.10 -3.67 2.04 -1.27 -3.05 117.51 112.16 2obx h ILE 58 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2obx h ILE 58 Cb 0.87 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 2obx h ILE 58 CO 0.00 0.00 -0.41 -0.65 0.00 0.00 0.00 178.15 177.09 2obx h PRO 59 N -0.03 -0.48 -1.00 2.37 0.11 -1.79 -0.09 132.00 131.08 2obx h PRO 59 Ca 0.12 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.30 2obx h PRO 59 Cb 0.22 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.38 2obx h PRO 59 CO -0.27 -0.32 0.66 1.25 -0.21 0.00 0.00 178.00 179.10 2obx h LEU 60 N -0.50 1.10 -0.14 2.35 5.85 -1.87 -0.31 115.31 121.79 2obx h LEU 60 Ca 0.07 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2obx h LEU 60 Cb 0.63 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2obx h LEU 60 CO -0.38 0.77 0.03 -0.74 -0.34 0.00 0.00 178.44 177.78 2obx h HIS 61 N 1.29 0.24 -0.88 1.25 2.76 -1.37 -1.47 115.15 116.97 2obx h HIS 61 Ca 0.39 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.56 2obx h HIS 61 Cb -0.04 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 2obx h HIS 61 CO -0.00 0.39 0.58 0.00 -1.30 0.00 0.00 177.93 177.60 2obx h ALA 62 N 0.83 1.43 0.19 5.26 0.00 -0.65 -0.35 119.26 125.95 2obx h ALA 62 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2obx h ALA 62 Cb 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2obx h ALA 62 CO 0.00 0.50 -0.09 -0.09 0.00 0.00 0.00 179.25 179.57 2obx h ARG 63 N 1.13 -0.24 -1.00 0.00 2.43 -0.77 0.33 114.38 116.26 2obx h ARG 63 Ca 0.34 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.55 2obx h ARG 63 Cb -0.02 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2obx h ARG 63 CO -0.10 -0.04 0.66 1.15 -1.51 0.00 0.00 179.97 180.13 2obx h THR 64 N -0.40 1.23 -0.20 0.20 2.02 -0.92 0.14 112.91 114.99 2obx h THR 64 Ca -0.03 -0.45 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 2obx h THR 64 Cb 0.31 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2obx h THR 64 CO 0.04 0.24 -0.46 -0.07 0.37 0.00 0.00 175.52 175.65 2obx h LEU 65 N 1.32 0.54 -0.28 2.58 3.38 -0.91 -3.17 115.31 118.77 2obx h LEU 65 Ca 0.37 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2obx h LEU 65 Cb -0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2obx h LEU 65 CO -0.09 0.92 -0.05 0.00 0.09 0.00 0.00 178.44 179.31 2obx h ALA 66 N 1.10 0.39 0.00 1.53 0.00 0.56 -3.14 119.26 119.70 2obx h ALA 66 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2obx h ALA 66 Cb 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2obx h ALA 66 CO 0.08 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.91 2obx n GLU 67 N -4.52 0.36 0.00 0.00 1.02 0.41 -2.29 120.64 115.61 2obx n GLU 67 Ca -0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 2obx n GLU 67 Cb 0.30 -1.39 0.14 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.89 0.00 -0.70 2.62 -2.24 -1.19 -4.92 114.28 106.97 2obx n THR 68 Ca 0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2obx n THR 68 Cb 0.03 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.46 0.39 0.22 3.38 0.00 -0.97 -4.82 105.19 104.84 2obx n GLY 69 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 1.17 0.00 -6.54 1.61 3.08 -1.82 -3.45 114.38 108.42 2obx h ARG 70 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2obx h ARG 70 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 2obx h ARG 70 CO 0.00 0.18 -0.81 0.71 -1.07 0.00 0.00 179.97 178.97 2obx s TYR 71 N -3.43 2.54 -1.02 3.04 1.51 -1.26 -4.44 117.35 114.28 2obx s TYR 71 Ca 0.03 -0.27 0.29 0.00 -1.01 0.00 0.00 57.07 56.11 2obx s TYR 71 Cb 0.08 -1.49 1.25 0.00 -0.11 0.00 0.00 41.96 41.69 2obx s TYR 71 CO 0.64 0.20 1.94 0.41 -1.11 0.00 0.00 175.55 177.63 2obx n GLY 72 N 1.81 -1.49 0.00 0.71 0.00 0.02 -4.92 105.19 101.32 2obx n GLY 72 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2obx n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obx n ALA 73 N -1.49 0.00 -2.76 4.61 0.00 -1.26 -4.40 120.51 115.22 2obx n ALA 73 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 2obx n ALA 73 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.64 2obx n ALA 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2obx s VAL 74 N -2.00 0.43 -0.21 0.00 1.01 -0.33 -1.88 120.40 117.43 2obx s VAL 74 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 2obx s VAL 74 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2obx s VAL 74 CO 0.00 0.10 -0.08 -0.22 0.00 0.00 0.00 175.10 174.90 2obx s LEU 75 N -0.19 2.73 -0.20 3.92 2.96 0.11 -0.41 118.68 127.60 2obx s LEU 75 Ca 0.02 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 2obx s LEU 75 Cb -0.02 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 2obx s LEU 75 CO -0.00 -0.00 0.12 -0.83 -1.32 0.00 0.00 176.35 174.31 2obx s GLY 76 N 1.36 2.00 -0.01 7.98 0.00 -0.82 -0.07 107.32 117.77 2obx s GLY 76 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2obx s GLY 76 CO -0.05 0.15 0.01 -1.08 0.00 0.00 0.00 173.10 172.13 2obx s THR 77 N 0.43 0.00 0.19 0.90 -1.32 -0.76 0.11 115.64 115.20 2obx s THR 77 Ca 0.07 0.08 -0.24 0.00 -1.21 0.00 0.00 61.69 60.40 2obx s THR 77 Cb -0.12 -0.07 0.05 0.00 -1.51 0.00 0.00 72.50 70.86 2obx s THR 77 CO -0.01 0.05 0.89 0.00 -2.21 0.00 0.00 174.62 173.34 2obx s ALA 78 N 0.49 -1.52 -0.24 11.08 0.00 -1.07 -1.92 121.76 128.58 2obx s ALA 78 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2obx s ALA 78 Cb -0.06 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.83 2obx s ALA 78 CO -0.01 -1.04 -0.02 0.12 0.00 0.00 0.00 175.76 174.81 2obx s PHE 79 N -3.42 2.20 -0.37 0.00 5.99 -1.26 -1.36 117.98 119.75 2obx s PHE 79 Ca 0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 56.93 55.30 2obx s PHE 79 Cb -0.03 -1.60 0.07 0.00 0.00 0.00 0.00 43.02 41.47 2obx s PHE 79 CO 0.04 -0.77 0.16 0.08 -0.00 0.00 0.00 175.22 174.72 2obx s VAL 80 N 1.46 3.59 0.35 3.12 1.01 0.25 -4.87 120.40 125.31 2obx s VAL 80 Ca -0.02 -1.54 0.09 0.00 0.00 0.00 0.00 61.98 60.51 2obx s VAL 80 Cb -0.18 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2obx s VAL 80 CO -0.09 -0.41 -0.02 0.68 0.00 0.00 0.00 175.10 175.27 2obx s VAL 81 N 1.30 2.47 -0.39 2.92 -7.23 -1.26 -4.07 120.40 114.14 2obx s VAL 81 Ca 0.02 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 2obx s VAL 81 Cb -0.22 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 33.97 2obx s VAL 81 CO -0.00 -0.19 0.74 0.21 -0.31 0.00 0.00 175.10 175.55 2obx s ASN 82 N -3.69 6.48 0.00 4.85 2.47 -1.26 -4.73 114.94 119.05 2obx s ASN 82 Ca 0.34 0.16 0.14 0.00 0.42 0.00 0.00 52.86 53.92 2obx s ASN 82 Cb 0.01 -2.37 0.49 0.00 -1.45 0.00 0.00 41.25 37.93 2obx s ASN 82 CO 0.18 -0.75 1.37 0.61 -3.72 0.00 0.00 177.10 174.80 2obx n GLY 83 N 4.70 0.33 2.29 1.21 0.00 -1.26 -4.75 105.19 107.71 2obx n GLY 83 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2obx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obx n GLY 84 N 1.04 0.94 0.98 -0.02 0.00 -1.26 -4.85 105.19 102.02 2obx n GLY 84 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 0.50 -4.19 -0.61 5.41 -1.26 -5.08 119.36 112.13 2obx n ILE 85 Ca 0.00 0.14 -0.23 0.00 1.00 0.00 0.00 62.75 63.66 2obx n ILE 85 Cb 0.00 -1.55 -0.06 0.00 -0.71 0.00 0.00 39.64 37.31 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 -2.03 2.82 0.06 1.39 1.51 -1.26 -5.10 117.35 114.75 2obx s TYR 86 Ca -0.01 -0.22 -0.24 0.00 -1.01 0.00 0.00 57.07 55.58 2obx s TYR 86 Cb 0.00 -1.36 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 2obx s TYR 86 CO 0.02 0.53 0.75 1.03 -1.11 0.00 0.00 175.55 176.76 2obx s ARG 87 N -3.76 4.48 0.00 -0.62 0.52 -1.26 -4.40 118.95 113.91 2obx s ARG 87 Ca 0.33 1.04 0.20 0.00 -0.52 0.00 0.00 55.73 56.78 2obx s ARG 87 Cb -0.06 -3.34 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 2obx s ARG 87 CO 0.22 0.36 0.93 -2.39 0.02 0.00 0.00 175.30 174.44 2obx n HIS 88 N 2.53 0.00 -0.30 -0.53 1.44 -1.26 -4.56 115.22 112.55 2obx n HIS 88 Ca -0.04 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.69 2obx n HIS 88 Cb 0.50 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.82 2obx n HIS 88 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2obx h GLU 89 N 1.31 1.07 -0.73 -1.40 3.07 -1.95 -2.28 114.58 113.67 2obx h GLU 89 Ca 0.00 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 2obx h GLU 89 Cb 0.59 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 2obx h GLU 89 CO 0.00 0.71 0.25 0.74 -1.40 0.00 0.00 179.01 179.31 2obx h PHE 90 N 1.10 1.15 0.09 4.33 -1.00 -2.00 -1.58 116.94 119.03 2obx h PHE 90 Ca 0.36 -0.10 -0.21 0.00 2.81 0.00 0.00 57.97 60.83 2obx h PHE 90 Cb 0.05 -0.34 0.02 0.00 3.61 0.00 0.00 35.95 39.29 2obx h PHE 90 CO -0.00 0.90 -0.88 0.28 -1.61 0.00 0.00 178.31 177.00 2obx h VAL 91 N 1.08 1.41 -0.13 -0.55 2.07 -1.83 -2.38 116.25 115.91 2obx h VAL 91 Ca 0.24 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.45 2obx h VAL 91 Cb 0.27 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 2obx h VAL 91 CO -0.01 0.69 -0.11 0.00 0.02 0.00 0.00 177.57 178.15 2obx h ALA 92 N 0.23 -0.01 -0.39 1.67 0.00 -1.39 -0.46 119.26 118.91 2obx h ALA 92 Ca -0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2obx h ALA 92 Cb 1.61 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2obx h ALA 92 CO 0.17 -0.56 0.21 1.03 0.00 0.00 0.00 179.25 180.10 2obx h SER 93 N -0.13 0.48 0.90 0.00 0.87 -1.38 -0.33 113.55 113.96 2obx h SER 93 Ca 0.09 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2obx h SER 93 Cb 0.25 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2obx h SER 93 CO -0.21 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 176.52 2obx h ALA 94 N 1.07 1.00 0.08 6.23 0.00 -1.17 0.56 119.26 127.03 2obx h ALA 94 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 2obx h ALA 94 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2obx h ALA 94 CO -0.02 0.00 -1.89 0.28 0.00 0.00 0.00 179.25 177.62 2obx n VAL 95 N -2.73 1.73 0.05 0.00 0.31 -0.20 -1.97 118.33 115.51 2obx n VAL 95 Ca 0.01 -0.71 -0.15 0.00 -0.01 0.00 0.00 64.34 63.49 2obx n VAL 95 Cb 0.27 -1.49 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 2obx n VAL 95 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2obx h ILE 96 N 0.05 1.36 -0.29 2.52 5.03 -0.90 -2.28 117.51 122.99 2obx h ILE 96 Ca -0.37 -2.31 -0.17 0.00 -0.12 0.00 0.00 64.86 61.89 2obx h ILE 96 Cb 2.03 2.32 -0.00 0.00 -3.03 0.00 0.00 36.82 38.13 2obx h ILE 96 CO 0.09 0.70 -0.50 0.44 -0.68 0.00 0.00 178.15 178.20 2obx h ASP 97 N 0.31 0.88 -0.18 1.72 3.32 -1.04 -3.13 116.42 118.30 2obx h ASP 97 Ca -0.08 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.54 2obx h ASP 97 Cb 1.55 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 2obx h ASP 97 CO 0.17 1.22 0.04 1.23 -1.72 0.00 0.00 179.24 180.18 2obx h GLY 98 N 0.82 0.20 1.87 2.75 0.00 -1.34 0.81 103.07 108.18 2obx h GLY 98 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2obx h GLY 98 CO 0.11 0.00 -0.06 -0.33 0.00 0.00 0.00 176.54 176.26 2obx h MET 99 N 0.12 0.17 -0.24 4.80 2.86 -1.46 0.17 114.93 121.34 2obx h MET 99 Ca 0.08 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 2obx h MET 99 Cb 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2obx h MET 99 CO -0.10 0.25 -0.45 1.98 1.06 0.00 0.00 176.91 179.65 2obx h MET 100 N 0.17 0.73 -0.75 1.72 -1.53 -1.36 -1.55 114.93 112.36 2obx h MET 100 Ca 0.04 -0.46 -0.02 0.00 -3.44 0.00 0.00 59.70 55.82 2obx h MET 100 Cb 0.23 0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.30 2obx h MET 100 CO 0.01 1.09 0.40 -0.97 0.14 0.00 0.00 176.91 177.57 2obx h ASN 101 N 0.46 0.95 -0.26 1.39 -0.73 -0.00 -2.04 115.58 115.35 2obx h ASN 101 Ca 0.01 -0.09 -0.08 0.00 1.87 0.00 0.00 56.30 58.02 2obx h ASN 101 Cb 1.05 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 2obx h ASN 101 CO 0.10 0.77 -0.15 0.58 -0.37 0.00 0.00 177.43 178.36 2obx h VAL 102 N 1.06 1.30 0.00 2.57 2.07 -0.52 -2.70 116.25 120.03 2obx h VAL 102 Ca 0.26 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 2obx h VAL 102 Cb 0.05 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2obx h VAL 102 CO -0.04 0.39 -0.23 0.06 0.02 0.00 0.00 177.57 177.77 2obx h GLN 103 N 0.28 0.00 0.13 1.57 3.07 -1.10 -1.92 115.11 117.14 2obx h GLN 103 Ca 0.05 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.52 2obx h GLN 103 Cb 0.67 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.24 2obx h GLN 103 CO 0.04 0.23 -1.25 -0.07 0.09 0.00 0.00 178.83 177.88 2obx h LEU 104 N 0.00 0.45 0.04 0.06 3.38 -1.36 -0.54 115.31 117.34 2obx h LEU 104 Ca -0.00 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 2obx h LEU 104 Cb 0.78 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2obx h LEU 104 CO 0.03 1.37 -0.48 0.77 0.09 0.00 0.00 178.44 180.22 2obx h SER 105 N 0.08 0.35 1.49 -0.43 4.64 -1.41 -3.34 113.55 114.93 2obx h SER 105 Ca -0.14 -0.85 -0.10 0.00 -0.47 0.00 0.00 61.79 60.23 2obx h SER 105 Cb 1.97 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 2obx h SER 105 CO 0.21 1.17 -0.52 0.71 -0.87 0.00 0.00 176.83 177.53 2obx h THR 106 N -0.42 0.75 0.00 2.95 1.35 -1.48 -3.47 112.91 112.59 2obx h THR 106 Ca -0.07 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 2obx h THR 106 Cb 1.28 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 2obx h THR 106 CO 0.09 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2obx n GLY 107 N 1.22 2.45 3.69 5.82 0.00 -0.21 -4.99 105.19 113.17 2obx n GLY 107 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.04 4.90 0.37 1.61 1.01 -1.24 -4.98 120.40 119.02 2obx s VAL 108 Ca 0.00 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.47 2obx s VAL 108 Cb 0.00 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 2obx s VAL 108 CO 0.00 0.10 1.39 -2.65 0.00 0.00 0.00 175.10 173.95 2obx n PRO 109 N 4.55 2.39 -3.70 2.72 -0.02 -1.26 -4.31 135.00 135.36 2obx n PRO 109 Ca 0.04 0.84 -0.28 0.00 -2.02 0.00 0.00 63.50 62.08 2obx n PRO 109 Cb 0.50 -2.51 -0.16 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.48 0.51 -1.45 1.01 -1.26 -1.19 120.40 117.39 2obx s VAL 110 Ca 0.55 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2obx s VAL 110 Cb -0.52 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2obx s VAL 110 CO 0.63 -0.38 0.88 -0.76 0.00 0.00 0.00 175.10 175.47 2obx s LEU 111 N 1.86 3.54 -0.14 3.92 1.02 0.45 -4.92 118.68 124.41 2obx s LEU 111 Ca 0.03 1.20 0.00 0.00 0.02 0.00 0.00 54.13 55.38 2obx s LEU 111 Cb -0.17 -4.16 -0.01 0.00 0.02 0.00 0.00 46.19 41.87 2obx s LEU 111 CO -0.15 -0.63 -0.15 -0.55 0.02 0.00 0.00 176.35 174.88 2obx s SER 112 N -3.82 3.71 -0.06 2.29 0.15 -1.26 -1.94 113.70 112.78 2obx s SER 112 Ca 0.52 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.81 2obx s SER 112 Cb -0.10 -1.56 0.12 0.00 -1.71 0.00 0.00 66.02 62.77 2obx s SER 112 CO 0.43 0.11 1.06 0.00 1.20 0.00 0.00 173.24 176.04 2obx n ALA 113 N 3.87 2.10 -2.75 5.45 0.00 0.30 -4.95 120.51 124.52 2obx n ALA 113 Ca -0.19 -1.69 -0.42 0.00 0.00 0.00 0.00 53.44 51.14 2obx n ALA 113 Cb 0.52 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 2obx n ALA 113 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2obx s VAL 114 N -1.24 4.14 0.10 0.00 1.01 -1.14 -2.59 120.40 120.68 2obx s VAL 114 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2obx s VAL 114 Cb 0.12 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 2obx s VAL 114 CO 0.01 -1.61 0.20 -0.76 0.00 0.00 0.00 175.10 172.95 2obx s LEU 115 N 4.54 4.22 -0.15 3.92 2.01 -0.47 -4.87 118.68 127.88 2obx s LEU 115 Ca 0.28 0.16 -0.01 0.00 0.01 0.00 0.00 54.13 54.57 2obx s LEU 115 Cb -0.13 -2.82 0.04 0.00 0.01 0.00 0.00 46.19 43.29 2obx s LEU 115 CO 0.09 0.13 -0.01 -0.89 1.01 0.00 0.00 176.35 176.68 2obx s THR 116 N -1.57 0.75 0.66 5.49 2.01 -1.26 -0.58 115.64 121.14 2obx s THR 116 Ca 0.34 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 2obx s THR 116 Cb -0.12 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.40 2obx s THR 116 CO 0.27 0.07 0.99 -2.16 -0.69 0.00 0.00 174.62 173.09 2obx s PRO 117 N 1.79 2.64 -0.05 4.92 0.04 -1.26 -5.00 135.00 138.08 2obx s PRO 117 Ca 0.01 0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.81 2obx s PRO 117 Cb -0.15 -2.17 -0.21 0.00 0.04 0.00 0.00 34.50 32.01 2obx s PRO 117 CO -0.07 -0.98 1.11 0.45 0.04 0.00 0.00 177.00 177.55 2obx h HIS 118 N -0.45 -0.03 -3.38 0.56 3.86 -2.01 -3.45 115.15 110.25 2obx h HIS 118 Ca -0.45 -0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.37 2obx h HIS 118 Cb 1.28 0.01 -0.36 0.00 1.06 0.00 0.00 27.41 29.40 2obx h HIS 118 CO 0.43 0.55 -0.76 -0.80 0.86 0.00 0.00 177.93 178.21 2obx s ASN 119 N -5.76 1.02 -0.12 2.45 -0.87 -1.26 -4.94 114.94 105.46 2obx s ASN 119 Ca -0.16 -0.04 -0.04 0.00 -1.57 0.00 0.00 52.86 51.05 2obx s ASN 119 Cb 0.01 -0.31 0.06 0.00 -0.02 0.00 0.00 41.25 40.98 2obx s ASN 119 CO 0.65 -0.15 0.13 -0.47 -2.57 0.00 0.00 177.10 174.69 2obx s TYR 120 N 1.53 -0.04 -0.31 2.20 5.04 -1.26 -5.05 117.35 119.45 2obx s TYR 120 Ca -0.02 0.20 0.07 0.00 -2.44 0.00 0.00 57.07 54.87 2obx s TYR 120 Cb -0.13 -0.45 0.46 0.00 0.35 0.00 0.00 41.96 42.19 2obx s TYR 120 CO -0.03 -0.38 1.19 0.72 -1.34 0.00 0.00 175.55 175.71 2obx n HIS 121 N 5.31 2.82 -1.88 4.97 8.25 -1.26 -4.82 115.22 128.60 2obx n HIS 121 Ca -0.05 -2.31 -0.13 0.00 -0.26 0.00 0.00 57.72 54.97 2obx n HIS 121 Cb 0.50 -0.33 0.01 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.69 -2.13 -4.02 0.41 8.00 -1.26 -4.94 116.55 111.92 2obx n ASP 122 Ca 0.44 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.80 2obx n ASP 122 Cb 0.94 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.52 0.07 0.16 -2.24 1.04 -1.26 -5.00 113.70 105.96 2obx s SER 123 Ca 0.12 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.20 2obx s SER 123 Cb -0.01 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.69 2obx s SER 123 CO 0.28 -1.05 1.61 0.00 0.98 0.00 0.00 173.24 175.06 2obx h ALA 124 N 2.37 -0.13 -0.18 5.32 0.00 -2.00 -2.19 119.26 122.45 2obx h ALA 124 Ca -0.30 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2obx h ALA 124 Cb 1.25 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2obx h ALA 124 CO 0.42 -0.69 -0.29 0.93 0.00 0.00 0.00 179.25 179.62 2obx h GLU 125 N -0.23 0.52 0.15 0.00 5.08 -1.99 -2.78 114.58 115.32 2obx h GLU 125 Ca 0.17 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2obx h GLU 125 Cb 0.52 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2obx h GLU 125 CO -0.52 0.91 -0.07 0.45 -1.00 0.00 0.00 179.01 178.79 2obx h HIS 126 N 0.17 -0.18 -0.98 4.33 3.86 -1.93 -0.61 115.15 119.80 2obx h HIS 126 Ca 0.02 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2obx h HIS 126 Cb 0.87 0.06 -0.06 0.00 1.06 0.00 0.00 27.41 29.34 2obx h HIS 126 CO 0.09 -0.01 0.64 1.25 0.86 0.00 0.00 177.93 180.76 2obx h HIS 127 N -0.32 1.20 0.43 2.45 -0.00 -1.52 -2.33 115.15 115.07 2obx h HIS 127 Ca -0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 2obx h HIS 127 Cb 0.25 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 2obx h HIS 127 CO -0.03 0.68 -0.21 -0.09 -0.00 0.00 0.00 177.93 178.28 2obx h ARG 128 N 1.23 -0.56 -0.02 5.26 2.43 -1.26 -0.52 114.38 120.93 2obx h ARG 128 Ca 0.39 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.63 2obx h ARG 128 Cb 0.02 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2obx h ARG 128 CO -0.13 -0.34 -0.47 0.35 -1.51 0.00 0.00 179.97 177.88 2obx h PHE 129 N -0.65 -1.34 -0.01 2.20 3.57 -0.77 -2.41 116.94 117.53 2obx h PHE 129 Ca -0.06 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2obx h PHE 129 Cb 0.48 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2obx h PHE 129 CO -0.03 -0.53 -0.43 0.74 -2.23 0.00 0.00 178.31 175.83 2obx h PHE 130 N -0.60 0.03 -0.29 0.41 -1.00 -1.47 -0.72 116.94 113.29 2obx h PHE 130 Ca 0.04 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.86 2obx h PHE 130 Cb 0.68 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 2obx h PHE 130 CO -0.47 0.45 0.04 0.35 -1.61 0.00 0.00 178.31 177.07 2obx h PHE 131 N 0.02 0.06 -0.07 -0.55 3.57 -0.67 -0.60 116.94 118.69 2obx h PHE 131 Ca -0.00 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 2obx h PHE 131 Cb 0.78 0.02 0.02 0.00 2.79 0.00 0.00 35.95 39.55 2obx h PHE 131 CO 0.00 -0.00 -0.85 0.93 -2.23 0.00 0.00 178.31 176.16 2obx h GLU 132 N 0.14 0.69 -0.47 1.11 5.08 -1.30 -3.29 114.58 116.53 2obx h GLU 132 Ca 0.14 -0.66 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2obx h GLU 132 Cb 0.16 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2obx h GLU 132 CO -0.20 1.25 0.28 1.25 -1.00 0.00 0.00 179.01 180.59 2obx h HIS 133 N 0.37 0.61 0.00 4.33 2.76 -0.86 -1.40 115.15 120.96 2obx h HIS 133 Ca -0.09 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2obx h HIS 133 Cb 1.50 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 30.25 2obx h HIS 133 CO 0.10 0.41 -0.00 0.74 -1.30 0.00 0.00 177.93 177.88 2obx h PHE 134 N 0.65 0.00 -0.20 5.26 -1.00 -1.18 0.60 116.94 121.07 2obx h PHE 134 Ca 0.17 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 2obx h PHE 134 Cb -0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2obx h PHE 134 CO 0.00 0.00 0.07 1.15 -1.61 0.00 0.00 178.31 177.92 2obx h THR 135 N 0.00 1.18 -0.88 -1.55 2.02 -1.40 0.51 112.91 112.79 2obx h THR 135 Ca -0.00 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.65 2obx h THR 135 Cb 0.02 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 2obx h THR 135 CO 0.00 0.18 0.58 0.58 0.37 0.00 0.00 175.52 177.23 2obx h VAL 136 N 0.15 1.15 0.00 3.16 2.07 -0.99 -1.39 116.25 120.41 2obx h VAL 136 Ca 0.06 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2obx h VAL 136 Cb 0.21 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2obx h VAL 136 CO -0.00 0.20 -0.35 0.11 0.02 0.00 0.00 177.57 177.55 2obx h LYS 137 N 1.11 0.00 -0.02 1.57 1.79 -1.01 -2.40 116.57 117.62 2obx h LYS 137 Ca 0.35 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.81 2obx h LYS 137 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2obx h LYS 137 CO -0.10 0.35 -0.02 0.78 -1.08 0.00 0.00 179.45 179.38 2obx h GLY 138 N 2.36 0.05 0.86 3.86 0.00 0.17 -2.34 103.07 108.03 2obx h GLY 138 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2obx h GLY 138 CO 0.05 0.05 0.40 0.07 0.00 0.00 0.00 176.54 177.10 2obx h LYS 139 N -0.47 0.75 -1.00 4.80 5.09 -1.35 -1.63 116.57 122.77 2obx h LYS 139 Ca 0.00 -0.05 0.06 0.00 0.09 0.00 0.00 60.65 60.75 2obx h LYS 139 Cb 0.55 -0.17 -0.06 0.00 0.10 0.00 0.00 32.23 32.65 2obx h LYS 139 CO 0.01 0.50 0.65 0.93 -2.09 0.00 0.00 179.45 179.44 2obx h GLU 140 N 0.77 1.16 -0.08 0.07 5.08 -1.45 -1.70 114.58 118.44 2obx h GLU 140 Ca 0.26 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2obx h GLU 140 Cb 0.03 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2obx h GLU 140 CO -0.11 0.77 -0.50 0.00 -1.00 0.00 0.00 179.01 178.17 2obx h ALA 141 N 1.44 1.00 0.55 3.43 0.00 -0.81 -2.30 119.26 122.57 2obx h ALA 141 Ca 0.42 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2obx h ALA 141 Cb 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2obx h ALA 141 CO -0.16 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.48 2obx h ALA 142 N 1.31 -0.73 -0.61 0.00 0.00 -0.46 -0.19 119.26 118.56 2obx h ALA 142 Ca 0.01 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.81 2obx h ALA 142 Cb 0.95 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2obx h ALA 142 CO 0.08 -0.81 0.25 0.00 0.00 0.00 0.00 179.25 178.77 2obx h ARG 143 N -0.94 0.43 -0.57 0.00 3.08 -1.37 -0.01 114.38 115.00 2obx h ARG 143 Ca -0.07 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.96 2obx h ARG 143 Cb 0.63 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2obx h ARG 143 CO 0.12 0.29 0.38 0.00 -1.07 0.00 0.00 179.97 179.69 2obx h ALA 144 N 1.41 1.60 0.48 0.04 0.00 -1.30 0.28 119.26 121.76 2obx h ALA 144 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2obx h ALA 144 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2obx h ALA 144 CO -0.29 0.36 -0.23 0.00 0.00 0.00 0.00 179.25 179.10 2obx h VAL 146 N -0.82 0.81 -0.83 0.00 2.07 -1.04 -2.62 116.25 113.82 2obx h VAL 146 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2obx h VAL 146 Cb 0.57 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2obx h VAL 146 CO 0.11 0.00 0.53 -0.33 0.02 0.00 0.00 177.57 177.90 2obx h GLU 147 N -0.11 1.02 -0.30 1.57 5.08 -0.95 -1.82 114.58 119.07 2obx h GLU 147 Ca 0.04 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2obx h GLU 147 Cb 0.16 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2obx h GLU 147 CO -0.09 0.68 -0.49 0.97 -1.00 0.00 0.00 179.01 179.07 2obx h ILE 148 N 1.06 1.28 -0.24 3.13 6.09 -1.11 0.17 117.51 127.88 2obx h ILE 148 Ca 0.32 -1.68 -0.09 0.00 -1.37 0.00 0.00 64.86 62.05 2obx h ILE 148 Cb -0.03 1.56 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 2obx h ILE 148 CO -0.10 0.55 -0.22 -0.07 -3.07 0.00 0.00 178.15 175.24 2obx h LEU 149 N 0.66 0.44 -0.16 2.19 3.38 -1.31 -0.84 115.31 119.68 2obx h LEU 149 Ca 0.03 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 2obx h LEU 149 Cb 1.08 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.72 2obx h LEU 149 CO 0.11 0.67 -0.73 0.00 0.09 0.00 0.00 178.44 178.58 2obx h ALA 150 N 1.37 0.30 -0.98 1.53 0.00 -1.19 -2.99 119.26 117.31 2obx h ALA 150 Ca 0.06 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2obx h ALA 150 Cb 0.60 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2obx h ALA 150 CO 0.04 0.64 0.63 0.00 0.00 0.00 0.00 179.25 180.56 2obx h ALA 151 N 0.55 1.36 -0.17 0.00 0.00 -0.25 -1.45 119.26 119.29 2obx h ALA 151 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2obx h ALA 151 Cb 1.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2obx h ALA 151 CO 0.15 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 2obx h ARG 152 N 1.15 0.30 -0.02 0.00 3.08 -1.08 -2.24 114.38 115.58 2obx h ARG 152 Ca 0.42 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 2obx h ARG 152 Cb 0.16 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2obx h ARG 152 CO -0.17 0.50 -0.13 0.93 -1.07 0.00 0.00 179.97 180.03 2obx h GLU 153 N 0.28 0.03 -0.32 0.04 5.08 -1.12 -2.44 114.58 116.12 2obx h GLU 153 Ca 0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2obx h GLU 153 Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2obx h GLU 153 CO 0.04 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 179.83 2obx n LYS 154 N -4.37 0.62 0.00 2.33 5.02 -0.84 -5.13 118.16 115.78 2obx n LYS 154 Ca -0.02 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 2obx n LYS 154 Cb 0.21 -1.16 0.04 0.00 -0.02 0.00 0.00 35.03 34.09 2obx n LYS 154 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99