#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obx n THR 11 N 0.00 1.16 -3.78 6.31 -1.04 -1.26 -4.83 114.28 110.83 2obx n THR 11 Ca 0.00 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.05 61.58 2obx n THR 11 Cb 0.00 -1.16 -0.15 0.00 -1.82 0.00 0.00 70.33 67.20 2obx n THR 11 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2obx s VAL 12 N -0.33 -0.04 -0.15 12.58 1.01 0.59 -5.01 120.40 129.04 2obx s VAL 12 Ca 0.68 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 2obx s VAL 12 Cb -0.73 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2obx s VAL 12 CO 0.53 0.06 0.10 -0.13 0.00 0.00 0.00 175.10 175.66 2obx s ARG 13 N 0.82 3.71 -0.10 2.72 0.52 -1.26 -1.50 118.95 123.86 2obx s ARG 13 Ca -0.07 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 2obx s ARG 13 Cb -0.09 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.18 2obx s ARG 13 CO -0.03 0.52 -0.23 0.42 0.02 0.00 0.00 175.30 176.00 2obx s ILE 14 N -0.31 2.01 -0.11 1.52 1.09 -0.48 0.34 121.20 125.26 2obx s ILE 14 Ca 0.10 -0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 58.63 2obx s ILE 14 Cb -0.12 -1.75 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2obx s ILE 14 CO 0.01 0.55 0.03 0.00 -0.10 0.00 0.00 174.94 175.43 2obx s ALA 15 N 0.43 3.40 -0.15 9.38 0.00 -1.12 -1.64 121.76 132.06 2obx s ALA 15 Ca -0.17 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2obx s ALA 15 Cb -0.18 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2obx s ALA 15 CO 0.07 0.51 -0.09 0.08 0.00 0.00 0.00 175.76 176.33 2obx s VAL 16 N -0.65 3.35 -0.44 0.00 1.01 0.64 -1.44 120.40 122.86 2obx s VAL 16 Ca 0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2obx s VAL 16 Cb -0.12 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 33.94 2obx s VAL 16 CO 0.02 0.50 0.26 -0.69 0.00 0.00 0.00 175.10 175.20 2obx s VAL 17 N 0.50 3.60 -0.14 2.92 1.01 0.02 -0.28 120.40 128.03 2obx s VAL 17 Ca -0.07 -2.03 -0.04 0.00 0.00 0.00 0.00 61.98 59.85 2obx s VAL 17 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2obx s VAL 17 CO 0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 175.10 174.40 2obx s ARG 18 N 1.14 3.51 0.90 2.72 1.70 -0.75 -1.46 118.95 126.69 2obx s ARG 18 Ca 0.08 -0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 54.77 2obx s ARG 18 Cb -0.24 -2.93 0.13 0.00 -0.57 0.00 0.00 34.95 31.34 2obx s ARG 18 CO -0.03 0.40 1.12 0.00 -1.08 0.00 0.00 175.30 175.71 2obx s ALA 19 N -0.06 1.77 -0.83 7.88 0.00 -0.90 -1.93 121.76 127.69 2obx s ALA 19 Ca 0.03 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.67 2obx s ALA 19 Cb -0.13 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2obx s ALA 19 CO 0.02 -2.23 0.59 0.54 0.00 0.00 0.00 175.76 174.68 2obx n ARG 20 N -3.75 2.40 -2.28 0.00 5.12 -0.58 -4.68 116.66 112.89 2obx n ARG 20 Ca 0.06 -0.50 -0.41 0.00 -1.93 0.00 0.00 57.85 55.07 2obx n ARG 20 Cb 0.58 -1.06 -0.03 0.00 -1.16 0.00 0.00 32.46 30.79 2obx n ARG 20 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2obx s TRP 21 N -1.45 3.33 -1.49 -1.55 0.52 -1.20 -1.76 118.94 115.35 2obx s TRP 21 Ca 0.07 1.25 -0.04 0.00 0.02 0.00 0.00 56.10 57.40 2obx s TRP 21 Cb 0.08 -3.54 0.02 0.00 -1.15 0.00 0.00 33.47 28.88 2obx s TRP 21 CO 0.28 -1.68 0.40 0.72 0.02 0.00 0.00 176.95 176.68 2obx n HIS 22 N 2.96 -1.69 -0.33 -1.98 8.25 -1.26 -4.57 115.22 116.60 2obx n HIS 22 Ca 0.07 0.35 0.06 0.00 -0.26 0.00 0.00 57.72 57.93 2obx n HIS 22 Cb 0.44 -3.89 0.13 0.00 1.12 0.00 0.00 29.99 27.79 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 -3.10 0.23 -0.06 -1.41 0.00 -0.72 -0.82 120.51 114.64 2obx n ALA 23 Ca -0.12 1.02 -0.01 0.00 0.00 0.00 0.00 53.44 54.32 2obx n ALA 23 Cb 0.62 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2obx n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2obx n ASP 24 N -5.50 -0.14 -0.11 0.00 -0.08 -1.26 0.71 116.55 110.16 2obx n ASP 24 Ca 0.15 0.87 -0.10 0.00 -1.51 0.00 0.00 54.79 54.20 2obx n ASP 24 Cb 0.47 -0.35 -0.02 0.00 2.34 0.00 0.00 41.12 43.56 2obx n ASP 24 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2obx h ILE 25 N 0.00 1.23 -0.27 5.18 2.04 -1.34 -3.19 117.51 121.16 2obx h ILE 25 Ca 0.02 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.14 2obx h ILE 25 Cb 0.05 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2obx h ILE 25 CO -0.12 0.26 -0.06 0.58 0.00 0.00 0.00 178.15 178.81 2obx h VAL 26 N 0.38 0.73 -0.30 1.67 2.07 0.18 -1.72 116.25 119.25 2obx h VAL 26 Ca 0.10 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 2obx h VAL 26 Cb 0.33 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2obx h VAL 26 CO 0.00 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.29 2obx h ASP 27 N 0.01 0.00 -0.32 0.57 3.45 0.29 0.94 116.42 121.34 2obx h ASP 27 Ca 0.13 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 2obx h ASP 27 Cb 0.20 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 2obx h ASP 27 CO -0.28 0.00 0.08 1.56 -1.57 0.00 0.00 179.24 179.03 2obx h GLN 28 N 0.00 0.61 -0.04 3.56 1.08 -1.30 -0.31 115.11 118.71 2obx h GLN 28 Ca 0.14 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2obx h GLN 28 Cb 0.66 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2obx h GLN 28 CO -0.00 0.58 -0.23 0.00 -0.95 0.00 0.00 178.83 178.23 2obx h VAL 30 N -0.32 1.02 -0.18 0.00 2.07 -1.05 0.46 116.25 118.25 2obx h VAL 30 Ca -0.02 -0.27 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 2obx h VAL 30 Cb 0.89 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2obx h VAL 30 CO 0.05 0.15 -0.53 0.77 0.02 0.00 0.00 177.57 178.02 2obx h SER 31 N 0.80 0.78 -0.42 0.57 4.64 -1.13 -1.42 113.55 117.36 2obx h SER 31 Ca 0.31 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2obx h SER 31 Cb 0.13 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2obx h SER 31 CO -0.16 1.23 0.27 0.00 -0.87 0.00 0.00 176.83 177.30 2obx h ALA 32 N 0.57 1.67 0.06 5.18 0.00 -1.01 -0.86 119.26 124.87 2obx h ALA 32 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2obx h ALA 32 Cb 1.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2obx h ALA 32 CO 0.11 0.30 -0.03 0.35 0.00 0.00 0.00 179.25 179.98 2obx h PHE 33 N 0.58 -0.07 -0.74 0.00 3.57 0.21 -1.85 116.94 118.63 2obx h PHE 33 Ca 0.16 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2obx h PHE 33 Cb -0.04 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2obx h PHE 33 CO 0.00 0.10 0.31 0.93 -2.23 0.00 0.00 178.31 177.42 2obx h GLU 34 N -0.23 1.10 0.57 1.11 5.08 -0.65 -0.37 114.58 121.19 2obx h GLU 34 Ca -0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2obx h GLU 34 Cb 0.20 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2obx h GLU 34 CO 0.01 0.89 -0.27 0.00 -1.00 0.00 0.00 179.01 178.64 2obx h ALA 35 N 1.16 -0.76 -0.43 3.43 0.00 -1.15 0.44 119.26 121.95 2obx h ALA 35 Ca 0.25 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2obx h ALA 35 Cb 0.19 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2obx h ALA 35 CO -0.02 -0.88 0.02 0.93 0.00 0.00 0.00 179.25 179.30 2obx h GLU 36 N -0.86 0.13 -0.90 0.00 4.39 -1.31 0.11 114.58 116.14 2obx h GLU 36 Ca -0.08 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.78 2obx h GLU 36 Cb 0.62 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 2obx h GLU 36 CO 0.13 0.09 0.49 1.98 -1.16 0.00 0.00 179.01 180.53 2obx h MET 37 N 0.13 0.65 -0.09 2.33 4.05 -0.93 -1.10 114.93 119.98 2obx h MET 37 Ca 0.21 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2obx h MET 37 Cb 0.30 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2obx h MET 37 CO -0.33 0.43 0.01 0.00 0.23 0.00 0.00 176.91 177.24 2obx h ALA 38 N 1.59 0.12 0.78 0.39 0.00 0.15 -1.71 119.26 120.58 2obx h ALA 38 Ca 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2obx h ALA 38 Cb 0.74 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2obx h ALA 38 CO -0.37 -0.21 -0.37 -0.44 0.00 0.00 0.00 179.25 177.85 2obx h ASP 39 N -0.10 -0.89 -0.02 0.00 3.32 -0.25 -3.13 116.42 115.36 2obx h ASP 39 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2obx h ASP 39 Cb 0.32 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2obx h ASP 39 CO 0.00 -0.61 0.00 2.30 -1.72 0.00 0.00 179.24 179.21 2obx n ILE 40 N -4.94 0.02 0.02 0.35 -5.35 -0.51 -4.09 119.36 104.87 2obx n ILE 40 Ca -0.13 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2obx n ILE 40 Cb 0.41 -0.12 -0.09 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.68 -1.18 2.18 3.28 0.00 -0.64 -4.98 105.19 104.54 2obx n GLY 41 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 1.40 0.40 2.80 -0.02 0.00 -1.25 -2.66 105.19 105.86 2obx n GLY 42 Ca -0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 0.55 -5.63 0.20 1.61 8.00 -1.26 -4.85 116.55 115.17 2obx n ASP 43 Ca -0.09 0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.68 2obx n ASP 43 Cb 0.46 -3.77 0.27 0.00 -0.02 0.00 0.00 41.12 38.06 2obx n ASP 43 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2obx h ARG 44 N 0.04 0.00 -6.03 -1.24 3.08 -1.84 -3.46 114.38 104.93 2obx h ARG 44 Ca -0.15 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.23 2obx h ARG 44 Cb 1.06 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.96 2obx h ARG 44 CO 0.22 0.23 -0.63 -0.06 -1.07 0.00 0.00 179.97 178.66 2obx s PHE 45 N -3.33 3.14 -0.04 3.04 0.40 -1.26 -0.30 117.98 119.63 2obx s PHE 45 Ca 0.03 0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.57 2obx s PHE 45 Cb 0.08 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 2obx s PHE 45 CO 0.67 0.47 -0.19 0.00 0.70 0.00 0.00 175.22 176.87 2obx s ALA 46 N -0.96 2.46 -0.11 5.36 0.00 -0.56 -4.96 121.76 123.00 2obx s ALA 46 Ca 0.16 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2obx s ALA 46 Cb -0.11 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.21 2obx s ALA 46 CO 0.05 0.54 -0.17 0.08 0.00 0.00 0.00 175.76 176.26 2obx s VAL 47 N -0.67 1.64 -0.12 0.00 1.01 -1.26 -1.38 120.40 119.62 2obx s VAL 47 Ca 0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2obx s VAL 47 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2obx s VAL 47 CO 0.00 0.47 -0.04 -1.81 0.00 0.00 0.00 175.10 173.71 2obx s ASP 48 N 0.83 4.79 -0.07 3.32 1.01 -0.65 -5.00 116.67 120.89 2obx s ASP 48 Ca -0.09 -0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.09 2obx s ASP 48 Cb -0.16 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 2obx s ASP 48 CO 0.00 0.25 -0.04 -0.69 0.21 0.00 0.00 175.17 174.90 2obx s VAL 49 N -0.10 3.91 -0.04 -1.27 1.01 -1.26 -0.26 120.40 122.39 2obx s VAL 49 Ca 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2obx s VAL 49 Cb -0.13 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2obx s VAL 49 CO 0.03 0.60 -0.11 -0.36 0.00 0.00 0.00 175.10 175.25 2obx s PHE 50 N -0.84 1.24 -0.01 5.22 0.40 0.62 -4.92 117.98 119.69 2obx s PHE 50 Ca 0.13 -0.37 -0.20 0.00 -0.60 0.00 0.00 56.93 55.89 2obx s PHE 50 Cb -0.11 -0.89 -0.05 0.00 0.51 0.00 0.00 43.02 42.48 2obx s PHE 50 CO 0.02 -0.17 0.57 -0.51 0.70 0.00 0.00 175.22 175.82 2obx s ASP 51 N 0.35 6.94 -0.01 1.36 1.11 -1.26 -1.81 116.67 123.34 2obx s ASP 51 Ca -0.07 1.11 0.02 0.00 0.18 0.00 0.00 52.55 53.79 2obx s ASP 51 Cb -0.12 -2.35 -0.00 0.00 1.07 0.00 0.00 42.92 41.52 2obx s ASP 51 CO 0.02 0.12 -0.05 -0.69 1.18 0.00 0.00 175.17 175.75 2obx s VAL 52 N -0.24 0.43 0.06 -1.27 1.01 -0.81 -4.97 120.40 114.61 2obx s VAL 52 Ca 0.30 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2obx s VAL 52 Cb -0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 2obx s VAL 52 CO 0.16 0.13 1.26 -0.65 0.00 0.00 0.00 175.10 176.00 2obx h PRO 53 N 6.14 -0.26 0.00 2.72 0.11 -1.93 -1.54 132.00 137.24 2obx h PRO 53 Ca -0.29 0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.32 2obx h PRO 53 Cb 1.19 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 2obx h PRO 53 CO 0.50 -0.17 -0.42 0.41 -0.21 0.00 0.00 178.00 178.11 2obx n GLY 54 N -1.20 3.34 0.31 -0.55 0.00 -1.26 -1.84 105.19 103.99 2obx n GLY 54 Ca -0.03 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 2obx n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obx h ALA 55 N 1.58 1.13 -0.12 4.61 0.00 -1.94 -2.37 119.26 122.14 2obx h ALA 55 Ca -0.29 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2obx h ALA 55 Cb 1.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2obx h ALA 55 CO 0.47 0.58 0.22 -0.92 0.00 0.00 0.00 179.25 179.60 2obx h TYR 56 N 0.86 0.00 -0.38 0.00 3.20 -1.97 0.26 116.97 118.95 2obx h TYR 56 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2obx h TYR 56 Cb 0.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2obx h TYR 56 CO 0.02 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.93 2obx n GLU 57 N -3.43 1.95 0.02 1.82 4.71 -0.89 -4.35 120.64 120.45 2obx n GLU 57 Ca 0.00 -1.46 -0.18 0.00 -0.01 0.00 0.00 57.16 55.51 2obx n GLU 57 Cb 0.31 -1.34 -0.14 0.00 -1.01 0.00 0.00 31.44 29.26 2obx n GLU 57 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2obx h ILE 58 N 2.47 1.57 0.38 -3.67 2.04 -1.06 -3.25 117.51 115.99 2obx h ILE 58 Ca 0.00 -2.48 -0.01 0.00 1.00 0.00 0.00 64.86 63.37 2obx h ILE 58 Cb 0.56 3.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.86 2obx h ILE 58 CO 0.00 0.69 -0.31 -0.65 0.00 0.00 0.00 178.15 177.87 2obx h PRO 59 N -0.54 -0.67 -0.93 2.37 0.11 -1.76 0.23 132.00 130.80 2obx h PRO 59 Ca -0.11 0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.12 2obx h PRO 59 Cb 1.47 0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.67 2obx h PRO 59 CO 0.11 -0.45 0.60 1.25 -0.21 0.00 0.00 178.00 179.30 2obx h LEU 60 N -0.70 0.91 -0.29 2.35 5.85 -1.85 0.37 115.31 121.95 2obx h LEU 60 Ca -0.03 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 2obx h LEU 60 Cb 0.61 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2obx h LEU 60 CO -0.02 0.57 -0.32 -0.74 -0.34 0.00 0.00 178.44 177.59 2obx h HIS 61 N 1.03 0.89 -0.75 1.25 2.76 -1.54 -1.29 115.15 117.50 2obx h HIS 61 Ca 0.41 -0.28 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2obx h HIS 61 Cb 0.25 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 2obx h HIS 61 CO -0.00 1.04 0.39 0.00 -1.30 0.00 0.00 177.93 178.06 2obx h ALA 62 N 0.70 1.29 -0.08 5.26 0.00 0.16 -1.67 119.26 124.91 2obx h ALA 62 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2obx h ALA 62 Cb 0.90 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2obx h ALA 62 CO 0.08 0.57 -0.04 -0.09 0.00 0.00 0.00 179.25 179.77 2obx h ARG 63 N 1.05 0.18 -0.80 0.00 2.43 -0.80 -0.62 114.38 115.81 2obx h ARG 63 Ca 0.26 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 2obx h ARG 63 Cb 0.05 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 2obx h ARG 63 CO -0.04 0.54 0.46 1.15 -1.51 0.00 0.00 179.97 180.57 2obx h THR 64 N -0.19 0.94 -0.17 0.20 2.02 -1.01 0.20 112.91 114.91 2obx h THR 64 Ca 0.02 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2obx h THR 64 Cb 0.48 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2obx h THR 64 CO 0.01 0.15 -0.01 -0.07 0.37 0.00 0.00 175.52 175.97 2obx h LEU 65 N 0.80 0.29 -1.03 2.58 3.38 -1.24 -2.96 115.31 117.12 2obx h LEU 65 Ca 0.38 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 58.14 2obx h LEU 65 Cb 0.31 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2obx h LEU 65 CO -0.23 0.54 0.63 0.00 0.09 0.00 0.00 178.44 179.47 2obx h ALA 66 N 0.76 1.53 0.00 1.53 0.00 -0.39 -1.39 119.26 121.30 2obx h ALA 66 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2obx h ALA 66 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2obx h ALA 66 CO 0.01 0.24 -0.01 0.93 0.00 0.00 0.00 179.25 180.42 2obx h GLU 67 N 1.00 0.00 0.00 0.00 5.08 -0.82 -2.10 114.58 117.74 2obx h GLU 67 Ca 0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 2obx h GLU 67 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2obx h GLU 67 CO -0.25 0.01 -0.14 1.79 -1.00 0.00 0.00 179.01 179.42 2obx h THR 68 N 0.00 0.61 0.00 1.13 1.35 -1.17 -3.45 112.91 111.37 2obx h THR 68 Ca -0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2obx h THR 68 Cb 0.39 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2obx h THR 68 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 2obx n GLY 69 N -0.62 0.80 0.15 5.82 0.00 -0.79 -4.89 105.19 105.66 2obx n GLY 69 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 2.27 0.00 -6.43 1.61 3.08 -1.81 -3.47 114.38 109.62 2obx h ARG 70 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2obx h ARG 70 Cb 0.02 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.94 2obx h ARG 70 CO 0.00 0.00 -0.70 0.71 -1.07 0.00 0.00 179.97 178.91 2obx s TYR 71 N -3.20 2.80 -0.01 3.04 1.51 -1.26 -4.42 117.35 115.81 2obx s TYR 71 Ca 0.07 -0.14 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 2obx s TYR 71 Cb 0.09 -1.41 -0.26 0.00 -0.11 0.00 0.00 41.96 40.27 2obx s TYR 71 CO 0.68 0.48 0.81 0.78 -1.11 0.00 0.00 175.55 177.19 2obx h GLY 72 N 3.17 0.22 -1.80 0.71 0.00 -0.47 -3.48 103.07 101.42 2obx h GLY 72 Ca -0.48 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.28 2obx h GLY 72 CO 0.56 0.49 0.11 0.00 0.00 0.00 0.00 176.54 177.69 2obx s ALA 73 N -2.62 -0.65 0.03 3.60 0.00 -1.25 -4.16 121.76 116.72 2obx s ALA 73 Ca -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2obx s ALA 73 Cb 0.07 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.07 2obx s ALA 73 CO 0.84 -0.95 -0.08 0.08 0.00 0.00 0.00 175.76 175.64 2obx s VAL 74 N -3.44 0.60 -0.25 0.00 1.01 0.14 -2.79 120.40 115.66 2obx s VAL 74 Ca 0.17 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2obx s VAL 74 Cb -0.04 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.80 2obx s VAL 74 CO 0.10 -0.21 -0.07 -0.22 0.00 0.00 0.00 175.10 174.70 2obx s LEU 75 N -1.18 3.02 -0.08 3.92 2.96 -0.52 -0.26 118.68 126.53 2obx s LEU 75 Ca -0.05 -1.32 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 2obx s LEU 75 Cb -0.08 -1.34 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 2obx s LEU 75 CO 0.00 -0.23 0.49 -0.83 -1.32 0.00 0.00 176.35 174.47 2obx s GLY 76 N 1.26 2.45 -0.02 7.98 0.00 -0.47 -0.80 107.32 117.71 2obx s GLY 76 Ca -0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.51 2obx s GLY 76 CO -0.06 0.70 0.03 -1.08 0.00 0.00 0.00 173.10 172.69 2obx s THR 77 N 0.29 -0.05 0.22 0.90 -1.32 -0.54 -0.19 115.64 114.95 2obx s THR 77 Ca 0.27 0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.72 2obx s THR 77 Cb -0.16 -0.08 0.04 0.00 -1.51 0.00 0.00 72.50 70.79 2obx s THR 77 CO 0.12 0.08 0.64 0.00 -2.21 0.00 0.00 174.62 173.25 2obx s ALA 78 N 0.94 -1.33 -0.32 11.08 0.00 -0.79 -2.11 121.76 129.23 2obx s ALA 78 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2obx s ALA 78 Cb -0.11 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.97 2obx s ALA 78 CO -0.03 -0.90 0.02 0.12 0.00 0.00 0.00 175.76 174.97 2obx s PHE 79 N -3.85 3.66 -0.33 0.00 5.99 -1.26 -0.93 117.98 121.27 2obx s PHE 79 Ca 0.07 -2.87 -0.09 0.00 0.00 0.00 0.00 56.93 54.04 2obx s PHE 79 Cb -0.03 -2.73 0.02 0.00 0.00 0.00 0.00 43.02 40.27 2obx s PHE 79 CO -0.02 -0.94 0.14 0.08 -0.00 0.00 0.00 175.22 174.48 2obx s VAL 80 N 0.94 4.25 0.36 3.12 1.01 -0.57 -4.86 120.40 124.65 2obx s VAL 80 Ca 0.07 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2obx s VAL 80 Cb -0.19 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 2obx s VAL 80 CO -0.07 -0.06 -0.04 0.68 0.00 0.00 0.00 175.10 175.60 2obx s VAL 81 N 1.52 2.02 -0.74 2.92 -7.23 -1.26 -4.02 120.40 113.61 2obx s VAL 81 Ca 0.02 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 2obx s VAL 81 Cb -0.18 -2.76 0.08 0.00 0.56 0.00 0.00 36.38 34.09 2obx s VAL 81 CO 0.05 -0.13 1.03 0.21 -0.31 0.00 0.00 175.10 175.95 2obx s ASN 82 N -3.62 6.30 0.00 4.85 2.47 -1.26 -4.71 114.94 118.97 2obx s ASN 82 Ca 0.33 -1.26 0.13 0.00 0.42 0.00 0.00 52.86 52.48 2obx s ASN 82 Cb 0.06 -2.42 0.59 0.00 -1.45 0.00 0.00 41.25 38.03 2obx s ASN 82 CO 0.16 -1.36 1.37 0.61 -3.72 0.00 0.00 177.10 174.17 2obx n GLY 83 N 5.44 -0.84 1.91 1.21 0.00 -1.26 -4.74 105.19 106.91 2obx n GLY 83 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.19 0.77 0.88 -0.02 0.00 -1.26 -4.87 105.19 100.51 2obx n GLY 84 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2obx n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2obx n ILE 85 N -2.29 0.57 -4.33 -0.61 5.41 -1.26 -5.07 119.36 111.78 2obx n ILE 85 Ca 0.00 0.08 -0.24 0.00 1.00 0.00 0.00 62.75 63.59 2obx n ILE 85 Cb 0.00 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.24 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 -2.10 2.60 0.21 1.39 1.51 -1.26 -5.11 117.35 114.60 2obx s TYR 86 Ca -0.05 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 2obx s TYR 86 Cb 0.02 -1.18 -0.08 0.00 -0.11 0.00 0.00 41.96 40.60 2obx s TYR 86 CO 0.07 0.61 0.93 1.03 -1.11 0.00 0.00 175.55 177.09 2obx s ARG 87 N -3.42 4.81 -0.00 -0.62 0.52 -1.26 -4.44 118.95 114.53 2obx s ARG 87 Ca 0.29 1.46 0.15 0.00 -0.52 0.00 0.00 55.73 57.12 2obx s ARG 87 Cb -0.07 -3.30 -0.18 0.00 0.52 0.00 0.00 34.95 31.92 2obx s ARG 87 CO 0.18 0.47 0.59 -2.39 0.02 0.00 0.00 175.30 174.17 2obx n HIS 88 N 1.72 0.00 -0.06 -0.53 1.44 -1.26 -4.66 115.22 111.87 2obx n HIS 88 Ca -0.01 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.62 2obx n HIS 88 Cb 0.47 -0.07 -0.01 0.00 0.12 0.00 0.00 29.99 30.50 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 0.07 0.06 -1.40 3.07 -1.94 0.28 114.58 114.71 2obx h GLU 89 Ca 0.00 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2obx h GLU 89 Cb 0.44 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 2obx h GLU 89 CO 0.00 0.05 -0.50 0.74 -1.40 0.00 0.00 179.01 177.90 2obx h PHE 90 N 0.07 -1.43 -0.37 4.33 0.05 -1.99 1.01 116.94 118.60 2obx h PHE 90 Ca 0.12 0.04 0.03 0.00 3.82 0.00 0.00 57.97 61.98 2obx h PHE 90 Cb 0.16 0.62 -0.03 0.00 2.00 0.00 0.00 35.95 38.70 2obx h PHE 90 CO -0.21 -0.56 0.17 0.28 -0.18 0.00 0.00 178.31 177.81 2obx h VAL 91 N -0.68 0.96 -0.18 -0.55 2.07 -1.83 0.24 116.25 116.27 2obx h VAL 91 Ca 0.02 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2obx h VAL 91 Cb 0.72 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2obx h VAL 91 CO -0.31 0.07 0.01 0.00 0.02 0.00 0.00 177.57 177.35 2obx h ALA 92 N 1.21 0.16 -0.25 1.67 0.00 -0.21 -0.14 119.26 121.70 2obx h ALA 92 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2obx h ALA 92 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2obx h ALA 92 CO -0.12 -0.43 0.11 1.03 0.00 0.00 0.00 179.25 179.83 2obx h SER 93 N 0.07 0.33 -0.88 0.00 0.87 0.14 -1.58 113.55 112.50 2obx h SER 93 Ca 0.08 -0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.55 2obx h SER 93 Cb 0.10 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 2obx h SER 93 CO -0.13 0.39 0.58 0.00 -0.53 0.00 0.00 176.83 177.13 2obx h ALA 94 N 0.96 1.52 -0.07 6.23 0.00 -0.18 0.60 119.26 128.31 2obx h ALA 94 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2obx h ALA 94 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2obx h ALA 94 CO -0.01 0.36 -0.10 0.28 0.00 0.00 0.00 179.25 179.78 2obx h VAL 95 N 1.02 1.39 -0.35 0.00 2.07 -0.84 0.62 116.25 120.15 2obx h VAL 95 Ca 0.37 -1.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 2obx h VAL 95 Cb 0.17 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2obx h VAL 95 CO -0.13 0.37 -0.23 0.40 0.02 0.00 0.00 177.57 177.99 2obx h ILE 96 N -0.27 1.27 -0.31 4.57 5.03 -0.92 -0.71 117.51 126.17 2obx h ILE 96 Ca 0.01 -1.32 -0.09 0.00 -0.12 0.00 0.00 64.86 63.33 2obx h ILE 96 Cb 0.64 1.25 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 2obx h ILE 96 CO 0.02 0.44 -0.16 0.44 -0.68 0.00 0.00 178.15 178.21 2obx h ASP 97 N 0.61 0.67 -0.95 1.72 3.32 0.21 -2.77 116.42 119.23 2obx h ASP 97 Ca 0.09 -0.41 0.03 0.00 0.02 0.00 0.00 57.03 56.75 2obx h ASP 97 Cb 0.72 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 2obx h ASP 97 CO 0.06 0.94 0.62 1.23 -1.72 0.00 0.00 179.24 180.37 2obx h GLY 98 N 0.41 1.38 1.31 2.75 0.00 0.57 -0.43 103.07 109.05 2obx h GLY 98 Ca 0.07 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 2obx h GLY 98 CO 0.05 0.42 -0.35 -0.33 0.00 0.00 0.00 176.54 176.32 2obx h MET 99 N 1.21 0.77 -0.00 4.80 2.86 -1.10 0.26 114.93 123.72 2obx h MET 99 Ca 0.37 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2obx h MET 99 Cb -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2obx h MET 99 CO -0.12 1.00 0.00 1.98 1.06 0.00 0.00 176.91 180.83 2obx h MET 100 N 0.64 0.01 -0.71 1.72 -1.53 -1.17 -1.71 114.93 112.17 2obx h MET 100 Ca 0.06 -0.00 0.14 0.00 -3.44 0.00 0.00 59.70 56.46 2obx h MET 100 Cb 0.89 -0.00 -0.10 0.00 -0.55 0.00 0.00 31.60 31.84 2obx h MET 100 CO 0.08 0.03 0.21 -0.97 0.14 0.00 0.00 176.91 176.40 2obx h ASN 101 N -0.02 0.12 -0.41 1.39 -0.73 -0.89 -2.24 115.58 112.80 2obx h ASN 101 Ca 0.00 0.12 -0.06 0.00 1.87 0.00 0.00 56.30 58.23 2obx h ASN 101 Cb 0.03 0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 2obx h ASN 101 CO -0.00 0.03 0.03 0.58 -0.37 0.00 0.00 177.43 177.70 2obx h VAL 102 N 0.34 1.25 0.00 2.57 2.07 -0.43 -2.67 116.25 119.38 2obx h VAL 102 Ca 0.39 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 2obx h VAL 102 Cb 0.61 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2obx h VAL 102 CO -0.44 0.33 -0.43 0.06 0.02 0.00 0.00 177.57 177.11 2obx h GLN 103 N 0.55 0.00 -0.05 1.57 3.07 -0.89 -2.05 115.11 117.31 2obx h GLN 103 Ca 0.12 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.66 2obx h GLN 103 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.00 2obx h GLN 103 CO 0.02 0.43 -0.82 -0.07 0.09 0.00 0.00 178.83 178.47 2obx h LEU 104 N 0.00 0.54 0.00 0.06 3.38 -1.37 0.21 115.31 118.13 2obx h LEU 104 Ca -0.00 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 2obx h LEU 104 Cb 0.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2obx h LEU 104 CO 0.06 1.16 -0.57 0.77 0.09 0.00 0.00 178.44 179.94 2obx h SER 105 N 0.28 0.00 0.00 -0.43 4.64 -1.38 -3.34 113.55 113.32 2obx h SER 105 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2obx h SER 105 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2obx h SER 105 CO 0.14 0.44 -1.15 0.35 -0.87 0.00 0.00 176.83 175.74 2obx n THR 106 N -3.15 0.00 -0.97 2.95 -2.24 -0.78 -4.98 114.28 105.11 2obx n THR 106 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2obx n THR 106 Cb 0.72 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2obx n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2obx n GLY 107 N 1.55 0.48 3.58 3.38 0.00 0.73 -4.99 105.19 109.92 2obx n GLY 107 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2obx n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2obx s VAL 108 N -2.15 5.24 0.19 1.61 1.01 -1.20 -5.01 120.40 120.09 2obx s VAL 108 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 61.98 61.80 2obx s VAL 108 Cb 0.00 -3.49 -0.15 0.00 0.00 0.00 0.00 36.38 32.74 2obx s VAL 108 CO 0.00 0.26 1.25 -2.65 0.00 0.00 0.00 175.10 173.96 2obx n PRO 109 N 5.04 1.44 -3.82 2.72 -0.02 -1.26 -4.27 135.00 134.82 2obx n PRO 109 Ca -0.14 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 2obx n PRO 109 Cb 0.52 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.11 1.02 0.11 -1.45 1.01 -1.26 -0.69 120.40 119.03 2obx s VAL 110 Ca 0.72 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 2obx s VAL 110 Cb -0.79 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 2obx s VAL 110 CO 0.51 -0.24 0.59 -0.76 0.00 0.00 0.00 175.10 175.20 2obx s LEU 111 N 1.61 4.47 -0.16 3.92 1.02 0.64 -4.90 118.68 125.29 2obx s LEU 111 Ca -0.01 1.25 -0.14 0.00 0.02 0.00 0.00 54.13 55.26 2obx s LEU 111 Cb -0.18 -3.07 -0.05 0.00 0.02 0.00 0.00 46.19 42.91 2obx s LEU 111 CO -0.10 0.21 0.29 -0.55 0.02 0.00 0.00 176.35 176.22 2obx s SER 112 N -1.31 6.44 -0.04 2.29 0.15 -1.26 -1.37 113.70 118.60 2obx s SER 112 Ca 0.33 0.51 0.15 0.00 0.70 0.00 0.00 55.95 57.63 2obx s SER 112 Cb -0.18 -2.18 0.27 0.00 -1.71 0.00 0.00 66.02 62.22 2obx s SER 112 CO 0.20 0.11 1.12 0.00 1.20 0.00 0.00 173.24 175.86 2obx n ALA 113 N 3.49 2.38 -3.05 5.45 0.00 0.74 -4.96 120.51 124.56 2obx n ALA 113 Ca -0.12 -2.03 -0.44 0.00 0.00 0.00 0.00 53.44 50.85 2obx n ALA 113 Cb 0.52 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.66 4.70 -0.07 0.00 1.01 -1.23 -1.89 120.40 122.25 2obx s VAL 114 Ca 0.23 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2obx s VAL 114 Cb 0.24 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2obx s VAL 114 CO -0.08 -1.22 0.04 -0.76 0.00 0.00 0.00 175.10 173.08 2obx s LEU 115 N 3.03 3.78 -0.16 3.92 2.01 -0.10 -4.89 118.68 126.26 2obx s LEU 115 Ca 0.14 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.48 2obx s LEU 115 Cb -0.22 -1.95 0.03 0.00 0.01 0.00 0.00 46.19 44.06 2obx s LEU 115 CO 0.07 0.36 -0.12 -0.89 1.01 0.00 0.00 176.35 176.78 2obx s THR 116 N -0.97 1.54 0.58 5.49 2.01 -1.26 -1.51 115.64 121.51 2obx s THR 116 Ca 0.16 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 2obx s THR 116 Cb -0.12 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 70.91 2obx s THR 116 CO 0.05 0.35 0.85 -2.16 -0.69 0.00 0.00 174.62 173.02 2obx s PRO 117 N 1.48 2.70 0.13 4.92 0.04 -1.26 -4.98 135.00 138.03 2obx s PRO 117 Ca 0.03 -0.35 -0.14 0.00 0.04 0.00 0.00 61.00 60.59 2obx s PRO 117 Cb -0.14 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 2obx s PRO 117 CO -0.10 -0.73 1.55 0.45 0.04 0.00 0.00 177.00 178.21 2obx h HIS 118 N -0.09 0.87 -2.87 0.56 3.86 -2.00 -3.45 115.15 112.03 2obx h HIS 118 Ca -0.45 -0.18 -0.19 0.00 -1.16 0.00 0.00 60.37 58.40 2obx h HIS 118 Cb 1.28 -0.21 -0.30 0.00 1.06 0.00 0.00 27.41 29.23 2obx h HIS 118 CO 0.41 0.89 -0.48 -0.80 0.86 0.00 0.00 177.93 178.81 2obx s ASN 119 N -6.36 -0.01 -0.24 2.45 -0.87 -1.26 -4.99 114.94 103.67 2obx s ASN 119 Ca -0.13 0.63 -0.04 0.00 -1.57 0.00 0.00 52.86 51.76 2obx s ASN 119 Cb 0.10 0.66 0.09 0.00 -0.02 0.00 0.00 41.25 42.08 2obx s ASN 119 CO 0.81 -0.21 0.14 -0.47 -2.57 0.00 0.00 177.10 174.81 2obx s TYR 120 N 1.92 0.13 -0.33 2.20 5.04 -1.26 -5.03 117.35 120.02 2obx s TYR 120 Ca -0.04 -0.48 0.08 0.00 -2.44 0.00 0.00 57.07 54.18 2obx s TYR 120 Cb -0.11 -0.72 0.56 0.00 0.35 0.00 0.00 41.96 42.03 2obx s TYR 120 CO -0.09 -0.70 1.60 0.72 -1.34 0.00 0.00 175.55 175.74 2obx n HIS 121 N 5.27 1.65 -4.26 4.97 8.25 -1.26 -4.79 115.22 125.05 2obx n HIS 121 Ca -0.06 -1.64 -0.33 0.00 -0.26 0.00 0.00 57.72 55.43 2obx n HIS 121 Cb 0.46 -0.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.09 0.20 -4.81 0.41 -0.08 -1.26 -4.96 116.55 104.96 2obx n ASP 122 Ca 0.40 -1.27 -0.22 0.00 -1.51 0.00 0.00 54.79 52.20 2obx n ASP 122 Cb 1.22 -1.70 -0.05 0.00 2.34 0.00 0.00 41.12 42.93 2obx n ASP 122 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2obx s SER 123 N -4.27 5.06 0.23 1.67 1.04 -1.26 -4.94 113.70 111.23 2obx s SER 123 Ca 0.07 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.82 2obx s SER 123 Cb -0.04 -0.87 0.31 0.00 0.10 0.00 0.00 66.02 65.53 2obx s SER 123 CO 0.99 -0.35 1.82 0.00 0.98 0.00 0.00 173.24 176.68 2obx h ALA 124 N 1.34 1.07 0.18 5.32 0.00 -1.99 -1.03 119.26 124.16 2obx h ALA 124 Ca -0.44 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2obx h ALA 124 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2obx h ALA 124 CO 0.60 0.15 -0.09 0.93 0.00 0.00 0.00 179.25 180.84 2obx h GLU 125 N 0.82 -0.23 0.44 0.00 3.07 -1.99 -0.80 114.58 115.89 2obx h GLU 125 Ca 0.35 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 2obx h GLU 125 Cb 0.23 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2obx h GLU 125 CO -0.20 -0.07 -0.22 0.45 -1.40 0.00 0.00 179.01 177.58 2obx h HIS 126 N -0.36 -0.56 -0.68 4.33 3.86 -1.92 -0.30 115.15 119.53 2obx h HIS 126 Ca -0.02 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.27 2obx h HIS 126 Cb 0.28 0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.86 2obx h HIS 126 CO -0.03 -0.35 0.30 1.25 0.86 0.00 0.00 177.93 179.96 2obx h HIS 127 N -0.60 0.53 -0.07 2.45 -0.00 -1.20 -2.04 115.15 114.22 2obx h HIS 127 Ca -0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 2obx h HIS 127 Cb 0.46 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2obx h HIS 127 CO -0.05 0.16 0.00 -0.09 -0.00 0.00 0.00 177.93 177.95 2obx h ARG 128 N 0.51 0.13 -0.03 5.26 2.43 -1.01 -1.01 114.38 120.66 2obx h ARG 128 Ca 0.34 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2obx h ARG 128 Cb 0.41 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 2obx h ARG 128 CO -0.30 0.39 -0.47 0.35 -1.51 0.00 0.00 179.97 178.42 2obx h PHE 129 N -0.15 -1.37 -0.05 2.20 3.57 -0.55 -0.86 116.94 119.72 2obx h PHE 129 Ca 0.02 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2obx h PHE 129 Cb 0.33 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2obx h PHE 129 CO 0.03 -0.53 -0.34 0.74 -2.23 0.00 0.00 178.31 175.98 2obx h PHE 130 N -0.61 0.12 -0.16 0.41 -1.00 -1.44 0.25 116.94 114.52 2obx h PHE 130 Ca 0.04 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.81 2obx h PHE 130 Cb 0.68 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 2obx h PHE 130 CO -0.48 0.44 0.11 0.35 -1.61 0.00 0.00 178.31 177.11 2obx h PHE 131 N 0.09 0.11 0.14 -0.55 3.57 -0.38 -0.51 116.94 119.41 2obx h PHE 131 Ca 0.01 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.23 2obx h PHE 131 Cb 0.65 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2obx h PHE 131 CO 0.00 0.07 -1.43 0.93 -2.23 0.00 0.00 178.31 175.65 2obx h GLU 132 N 0.12 0.30 -0.11 1.11 5.08 0.16 -3.38 114.58 117.85 2obx h GLU 132 Ca 0.07 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 2obx h GLU 132 Cb 0.12 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2obx h GLU 132 CO -0.01 1.24 -0.41 1.25 -1.00 0.00 0.00 179.01 180.08 2obx h HIS 133 N -0.20 0.29 -0.03 4.33 2.76 -0.11 -2.74 115.15 119.45 2obx h HIS 133 Ca -0.29 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 57.81 2obx h HIS 133 Cb 1.84 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.74 2obx h HIS 133 CO 0.13 0.62 0.10 0.74 -1.30 0.00 0.00 177.93 178.22 2obx h PHE 134 N 0.21 0.00 -0.26 5.26 -1.00 -1.28 0.57 116.94 120.43 2obx h PHE 134 Ca 0.02 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.65 2obx h PHE 134 Cb 0.81 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 2obx h PHE 134 CO 0.01 0.00 -0.44 1.15 -1.61 0.00 0.00 178.31 177.42 2obx h THR 135 N 0.00 1.30 -0.31 -1.55 2.02 -1.66 0.41 112.91 113.11 2obx h THR 135 Ca 0.02 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.52 2obx h THR 135 Cb 0.21 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2obx h THR 135 CO -0.00 0.52 0.02 0.58 0.37 0.00 0.00 175.52 177.01 2obx h VAL 136 N 0.54 1.25 -0.21 3.16 2.07 -0.03 -2.03 116.25 121.00 2obx h VAL 136 Ca 0.04 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 2obx h VAL 136 Cb 0.98 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2obx h VAL 136 CO 0.09 0.29 -0.09 0.11 0.02 0.00 0.00 177.57 177.99 2obx h LYS 137 N 0.34 0.43 -0.91 1.57 1.79 -1.19 -1.80 116.57 116.79 2obx h LYS 137 Ca 0.09 -0.18 0.19 0.00 -2.18 0.00 0.00 60.65 58.57 2obx h LYS 137 Cb 0.40 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.97 2obx h LYS 137 CO 0.01 0.71 0.59 0.78 -1.08 0.00 0.00 179.45 180.46 2obx h GLY 138 N 0.14 1.07 1.20 3.86 0.00 -0.10 0.30 103.07 109.53 2obx h GLY 138 Ca 0.05 -0.23 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 2obx h GLY 138 CO 0.03 0.00 -0.90 0.50 0.00 0.00 0.00 176.54 176.17 2obx h LYS 139 N 0.51 0.76 -0.82 4.80 1.57 -1.16 -2.92 116.57 119.30 2obx h LYS 139 Ca 0.48 -0.70 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2obx h LYS 139 Cb 1.04 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2obx h LYS 139 CO -0.21 1.29 0.53 0.93 -0.57 0.00 0.00 179.45 181.42 2obx h GLU 140 N 0.48 1.00 -0.78 3.15 5.08 0.18 -2.21 114.58 121.48 2obx h GLU 140 Ca -0.09 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2obx h GLU 140 Cb 1.54 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2obx h GLU 140 CO 0.18 0.66 0.41 0.00 -1.00 0.00 0.00 179.01 179.26 2obx h ALA 141 N 1.34 1.01 0.18 3.43 0.00 -0.57 -1.07 119.26 123.58 2obx h ALA 141 Ca 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2obx h ALA 141 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2obx h ALA 141 CO -0.11 0.54 -0.12 0.00 0.00 0.00 0.00 179.25 179.56 2obx h ALA 142 N 1.21 -0.28 -0.78 0.00 0.00 -1.22 -0.07 119.26 118.13 2obx h ALA 142 Ca 0.27 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2obx h ALA 142 Cb 0.07 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2obx h ALA 142 CO -0.04 -0.67 0.50 0.00 0.00 0.00 0.00 179.25 179.04 2obx h ARG 143 N -0.29 0.95 -0.38 0.00 3.08 -1.25 -1.17 114.38 115.31 2obx h ARG 143 Ca -0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2obx h ARG 143 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2obx h ARG 143 CO 0.01 0.63 0.22 0.00 -1.07 0.00 0.00 179.97 179.76 2obx h ALA 144 N 1.32 0.47 -0.51 0.04 0.00 -0.87 0.90 119.26 120.61 2obx h ALA 144 Ca 0.31 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2obx h ALA 144 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2obx h ALA 144 CO -0.11 -0.11 0.31 0.00 0.00 0.00 0.00 179.25 179.33 2obx h VAL 146 N 0.61 1.39 0.14 0.00 2.07 -0.96 -2.90 116.25 116.59 2obx h VAL 146 Ca 0.21 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2obx h VAL 146 Cb 0.03 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2obx h VAL 146 CO -0.10 0.58 -0.07 -0.33 0.02 0.00 0.00 177.57 177.68 2obx h GLU 147 N 0.15 -0.18 -0.68 1.57 5.08 -0.44 -2.94 114.58 117.14 2obx h GLU 147 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2obx h GLU 147 Cb 1.08 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2obx h GLU 147 CO 0.09 0.26 0.18 0.97 -1.00 0.00 0.00 179.01 179.50 2obx h ILE 148 N -0.71 1.26 -0.42 3.13 6.09 -1.20 0.23 117.51 125.88 2obx h ILE 148 Ca -0.02 -0.93 0.02 0.00 -1.37 0.00 0.00 64.86 62.56 2obx h ILE 148 Cb 0.52 0.54 -0.03 0.00 0.47 0.00 0.00 36.82 38.32 2obx h ILE 148 CO 0.03 0.36 0.24 -0.07 -3.07 0.00 0.00 178.15 175.64 2obx h LEU 149 N 1.03 0.38 -0.77 2.19 3.38 -1.61 0.03 115.31 119.93 2obx h LEU 149 Ca 0.22 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 2obx h LEU 149 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2obx h LEU 149 CO -0.00 0.27 -0.51 0.00 0.09 0.00 0.00 178.44 178.29 2obx h ALA 150 N 1.20 0.95 -0.65 1.53 0.00 -1.29 -2.77 119.26 118.24 2obx h ALA 150 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2obx h ALA 150 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2obx h ALA 150 CO -0.09 0.67 0.35 0.00 0.00 0.00 0.00 179.25 180.18 2obx h ALA 151 N 1.26 0.83 0.00 0.00 0.00 0.06 -1.69 119.26 119.73 2obx h ALA 151 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2obx h ALA 151 Cb 0.98 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2obx h ALA 151 CO 0.08 0.35 -0.11 0.00 0.00 0.00 0.00 179.25 179.57 2obx h ARG 152 N 0.89 0.00 0.00 0.00 3.08 -0.74 0.75 114.38 118.36 2obx h ARG 152 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2obx h ARG 152 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2obx h ARG 152 CO -0.04 0.11 0.00 0.93 -1.07 0.00 0.00 179.97 179.91 2obx h GLU 153 N 0.00 0.00 -0.01 0.04 5.08 -1.05 -2.56 114.58 116.09 2obx h GLU 153 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2obx h GLU 153 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2obx h GLU 153 CO 0.01 0.00 -0.08 0.36 -1.00 0.00 0.00 179.01 178.31 2obx n LYS 154 N -2.44 1.12 -3.54 2.33 0.00 0.26 -4.72 118.16 111.15 2obx n LYS 154 Ca 0.03 -0.50 -0.40 0.00 -0.00 0.00 0.00 58.31 57.44 2obx n LYS 154 Cb 0.31 -1.49 -0.11 0.00 -0.00 0.00 0.00 35.03 33.75 2obx n LYS 154 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2obx s ILE 155 N -2.23 5.17 -2.00 0.58 1.01 -0.97 -5.12 121.20 117.65 2obx s ILE 155 Ca 0.35 -0.32 0.28 0.00 0.00 0.00 0.00 60.65 60.95 2obx s ILE 155 Cb 0.21 -3.69 0.79 0.00 0.01 0.00 0.00 42.46 39.77 2obx s ILE 155 CO 0.41 -0.05 1.99 0.00 0.00 0.00 0.00 174.94 177.30