#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 5.02 -0.13 6.31 2.01 -1.26 -4.72 115.64 122.86 2obx s THR 11 Ca 0.00 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 2obx s THR 11 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2obx s THR 11 CO 0.00 -0.35 0.62 -0.69 -0.69 0.00 0.00 174.62 173.50 2obx s VAL 12 N 2.34 5.07 -0.11 3.82 1.01 -0.05 -4.95 120.40 127.54 2obx s VAL 12 Ca 0.16 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 63.18 2obx s VAL 12 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2obx s VAL 12 CO 0.14 0.21 0.48 -0.13 0.00 0.00 0.00 175.10 175.81 2obx s ARG 13 N 1.23 4.32 -0.08 2.72 1.81 -1.26 -1.04 118.95 126.65 2obx s ARG 13 Ca 0.31 0.47 0.05 0.00 -1.72 0.00 0.00 55.73 54.84 2obx s ARG 13 Cb -0.16 -3.42 -0.00 0.00 -0.45 0.00 0.00 34.95 30.91 2obx s ARG 13 CO 0.13 0.19 -0.23 0.42 -0.68 0.00 0.00 175.30 175.13 2obx s ILE 14 N 0.52 1.95 -0.10 1.52 1.09 0.95 0.16 121.20 127.28 2obx s ILE 14 Ca 0.26 -0.98 -0.03 0.00 -1.10 0.00 0.00 60.65 58.80 2obx s ILE 14 Cb -0.15 -1.67 -0.03 0.00 -1.06 0.00 0.00 42.46 39.54 2obx s ILE 14 CO 0.11 0.54 0.02 0.00 -0.10 0.00 0.00 174.94 175.51 2obx s ALA 15 N 0.17 3.36 -0.16 9.38 0.00 -0.59 -1.53 121.76 132.39 2obx s ALA 15 Ca -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2obx s ALA 15 Cb -0.16 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 2obx s ALA 15 CO 0.06 0.53 -0.07 0.08 0.00 0.00 0.00 175.76 176.36 2obx s VAL 16 N -0.69 3.49 -0.33 0.00 1.01 -0.07 0.76 120.40 124.58 2obx s VAL 16 Ca 0.11 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2obx s VAL 16 Cb -0.12 -2.52 0.08 0.00 0.00 0.00 0.00 36.38 33.83 2obx s VAL 16 CO 0.02 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 2obx s VAL 17 N 0.56 2.59 -0.04 2.92 1.01 0.18 -0.98 120.40 126.65 2obx s VAL 17 Ca -0.05 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 59.99 2obx s VAL 17 Cb -0.15 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2obx s VAL 17 CO 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 175.10 174.68 2obx s ARG 18 N 1.06 2.70 0.62 2.72 1.70 -1.03 -0.84 118.95 125.89 2obx s ARG 18 Ca 0.03 -0.61 -0.11 0.00 -0.47 0.00 0.00 55.73 54.57 2obx s ARG 18 Cb -0.20 -2.58 -0.04 0.00 -0.57 0.00 0.00 34.95 31.56 2obx s ARG 18 CO -0.05 0.64 1.03 0.00 -1.08 0.00 0.00 175.30 175.84 2obx s ALA 19 N -0.91 3.04 -2.67 7.88 0.00 -0.21 -1.20 121.76 127.68 2obx s ALA 19 Ca 0.15 -0.04 0.22 0.00 0.00 0.00 0.00 51.96 52.28 2obx s ALA 19 Cb -0.11 -3.10 0.18 0.00 0.00 0.00 0.00 23.12 20.09 2obx s ALA 19 CO 0.05 -0.73 1.19 0.54 0.00 0.00 0.00 175.76 176.80 2obx n ARG 20 N -2.71 2.01 -2.55 0.00 5.12 0.96 -4.69 116.66 114.80 2obx n ARG 20 Ca 0.06 -1.80 -0.42 0.00 -1.93 0.00 0.00 57.85 53.76 2obx n ARG 20 Cb 0.54 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.39 2obx n ARG 20 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2obx s TRP 21 N -1.77 3.58 -1.59 -1.55 0.52 -1.18 -2.67 118.94 114.27 2obx s TRP 21 Ca 0.26 1.55 -0.04 0.00 0.02 0.00 0.00 56.10 57.88 2obx s TRP 21 Cb 0.18 -3.27 0.01 0.00 -1.15 0.00 0.00 33.47 29.24 2obx s TRP 21 CO 0.27 -0.61 0.50 0.72 0.02 0.00 0.00 176.95 177.85 2obx n HIS 22 N 3.20 -1.80 -0.35 -1.98 8.25 -1.26 -4.57 115.22 116.71 2obx n HIS 22 Ca 0.05 0.43 0.11 0.00 -0.26 0.00 0.00 57.72 58.05 2obx n HIS 22 Cb 0.47 -4.37 0.22 0.00 1.12 0.00 0.00 29.99 27.44 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 -3.29 0.38 -0.39 -1.41 0.00 -1.09 -1.28 120.51 113.43 2obx n ALA 23 Ca -0.14 1.08 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 2obx n ALA 23 Cb 0.63 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 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 -5.55 -0.85 0.07 0.00 -0.08 -1.26 -0.01 116.55 108.87 2obx n ASP 24 Ca 0.20 1.72 -0.18 0.00 -1.51 0.00 0.00 54.79 55.02 2obx n ASP 24 Cb 0.64 -0.30 -0.10 0.00 2.34 0.00 0.00 41.12 43.70 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 1.33 -0.50 5.18 2.04 -1.56 -3.29 117.51 120.72 2obx h ILE 25 Ca 0.24 -2.44 -0.01 0.00 1.00 0.00 0.00 64.86 63.65 2obx h ILE 25 Cb 0.48 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 2obx h ILE 25 CO -0.94 0.74 0.29 0.58 0.00 0.00 0.00 178.15 178.81 2obx h VAL 26 N 0.28 1.16 -0.09 1.67 2.07 -0.87 -2.41 116.25 118.07 2obx h VAL 26 Ca -0.13 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2obx h VAL 26 Cb 1.75 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2obx h VAL 26 CO 0.20 0.17 0.12 0.44 0.02 0.00 0.00 177.57 178.53 2obx h ASP 27 N 0.66 0.00 0.82 0.57 3.45 -0.50 0.14 116.42 121.57 2obx h ASP 27 Ca 0.18 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.59 2obx h ASP 27 Cb 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 2obx h ASP 27 CO -0.03 0.00 -0.24 1.56 -1.57 0.00 0.00 179.24 178.96 2obx h GLN 28 N 0.00 0.00 0.17 3.56 1.08 -1.50 -0.81 115.11 117.61 2obx h GLN 28 Ca 0.04 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.89 2obx h GLN 28 Cb 0.29 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2obx h GLN 28 CO -0.00 0.24 -1.74 0.00 -0.95 0.00 0.00 178.83 176.38 2obx h VAL 30 N 0.10 1.27 -0.08 0.00 2.07 -1.19 -0.64 116.25 117.78 2obx h VAL 30 Ca -0.34 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 2obx h VAL 30 Cb 2.09 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2obx h VAL 30 CO 0.17 0.44 -0.19 0.77 0.02 0.00 0.00 177.57 178.78 2obx h SER 31 N 0.65 0.31 -0.61 0.57 4.64 -1.29 0.88 113.55 118.69 2obx h SER 31 Ca 0.09 -0.58 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 2obx h SER 31 Cb 0.72 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 2obx h SER 31 CO 0.06 0.83 0.36 0.00 -0.87 0.00 0.00 176.83 177.21 2obx h ALA 32 N 0.48 0.79 -0.43 5.18 0.00 -1.52 -0.92 119.26 122.83 2obx h ALA 32 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2obx h ALA 32 Cb 0.79 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2obx h ALA 32 CO 0.04 0.07 0.15 0.35 0.00 0.00 0.00 179.25 179.86 2obx h PHE 33 N 0.69 0.69 0.00 0.00 3.57 -1.06 -2.29 116.94 118.54 2obx h PHE 33 Ca 0.25 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2obx h PHE 33 Cb 0.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2obx h PHE 33 CO -0.07 0.62 0.00 1.49 -2.23 0.00 0.00 178.31 178.12 2obx h GLU 34 N 0.56 0.00 0.00 1.11 4.81 -0.21 -2.39 114.58 118.46 2obx h GLU 34 Ca 0.14 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2obx h GLU 34 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2obx h GLU 34 CO -0.01 0.00 -0.31 0.00 -0.73 0.00 0.00 179.01 177.96 2obx h ALA 35 N 2.08 0.06 -0.42 2.92 0.00 -0.65 -2.28 119.26 120.96 2obx h ALA 35 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2obx h ALA 35 Cb 0.31 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2obx h ALA 35 CO 0.00 0.20 0.29 0.93 0.00 0.00 0.00 179.25 180.67 2obx h GLU 36 N -1.00 0.15 0.10 0.00 4.39 -1.36 0.87 114.58 117.73 2obx h GLU 36 Ca -0.07 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 2obx h GLU 36 Cb 0.79 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2obx h GLU 36 CO -0.04 0.10 -0.62 1.98 -1.16 0.00 0.00 179.01 179.27 2obx h MET 37 N 0.16 0.21 0.15 2.33 4.05 -1.55 -3.32 114.93 116.96 2obx h MET 37 Ca 0.20 -0.36 -0.20 0.00 -0.28 0.00 0.00 59.70 59.06 2obx h MET 37 Cb 0.58 0.13 0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2obx h MET 37 CO -0.03 1.17 -0.91 0.00 0.23 0.00 0.00 176.91 177.38 2obx h ALA 38 N 0.04 -0.09 -0.79 0.39 0.00 -1.07 -3.35 119.26 114.41 2obx h ALA 38 Ca -0.11 -0.73 0.21 0.00 0.00 0.00 0.00 54.91 54.27 2obx h ALA 38 Cb 1.46 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2obx h ALA 38 CO 0.10 0.43 0.55 0.38 0.00 0.00 0.00 179.25 180.71 2obx h ASP 39 N -0.32 0.14 0.00 0.00 -0.00 0.57 0.42 116.42 117.23 2obx h ASP 39 Ca -0.16 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 2obx h ASP 39 Cb 1.70 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 41.01 2obx h ASP 39 CO 0.16 0.06 0.00 2.30 -0.00 0.00 0.00 179.24 181.76 2obx n ILE 40 N -4.38 1.70 -1.47 4.15 -5.35 -1.25 -4.89 119.36 107.87 2obx n ILE 40 Ca 0.16 -0.37 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 2obx n ILE 40 Cb 0.76 -1.36 -0.00 0.00 -1.74 0.00 0.00 39.64 37.29 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 1.29 -1.32 0.00 3.28 0.00 0.15 -4.68 105.19 103.91 2obx n GLY 41 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.72 0.00 2.60 -0.02 0.00 -1.26 -4.84 105.19 103.39 2obx n GLY 42 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -4.90 0.41 1.61 5.68 -1.26 -4.89 116.55 113.21 2obx n ASP 43 Ca 0.00 0.07 -0.17 0.00 -0.50 0.00 0.00 54.79 54.19 2obx n ASP 43 Cb 0.00 -2.65 -0.08 0.00 -1.14 0.00 0.00 41.12 37.25 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 0.27 -1.05 -6.09 0.11 -0.00 -1.84 -3.38 114.38 102.41 2obx h ARG 44 Ca -0.06 0.07 -0.58 0.00 -0.00 0.00 0.00 59.98 59.41 2obx h ARG 44 Cb 0.70 0.24 -0.11 0.00 -0.00 0.00 0.00 29.97 30.80 2obx h ARG 44 CO 0.09 -0.70 -0.64 -0.06 -0.00 0.00 0.00 179.97 178.65 2obx s PHE 45 N -5.46 2.54 -0.05 4.08 0.40 -1.26 -0.87 117.98 117.36 2obx s PHE 45 Ca -0.16 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.77 2obx s PHE 45 Cb 0.02 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.24 2obx s PHE 45 CO 0.50 0.55 0.10 0.00 0.70 0.00 0.00 175.22 177.06 2obx s ALA 46 N -2.48 -0.09 -0.27 5.36 0.00 -0.21 -4.85 121.76 119.22 2obx s ALA 46 Ca 0.33 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 2obx s ALA 46 Cb -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 2obx s ALA 46 CO 0.19 -0.19 0.06 0.08 0.00 0.00 0.00 175.76 175.90 2obx s VAL 47 N 1.30 3.99 -0.19 0.00 1.01 -1.26 -0.03 120.40 125.22 2obx s VAL 47 Ca -0.07 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2obx s VAL 47 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2obx s VAL 47 CO -0.05 0.19 0.05 -1.81 0.00 0.00 0.00 175.10 173.48 2obx s ASP 48 N 1.53 5.46 -0.17 3.32 1.01 -0.58 -5.00 116.67 122.24 2obx s ASP 48 Ca 0.04 0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.27 2obx s ASP 48 Cb -0.16 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 2obx s ASP 48 CO 0.02 0.15 0.00 -0.69 0.21 0.00 0.00 175.17 174.86 2obx s VAL 49 N 0.50 4.25 -0.08 -1.27 1.01 -1.26 -0.89 120.40 122.67 2obx s VAL 49 Ca 0.02 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2obx s VAL 49 Cb -0.13 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2obx s VAL 49 CO 0.01 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 175.02 2obx s PHE 50 N 0.35 2.19 0.17 5.22 0.40 -0.15 -4.97 117.98 121.19 2obx s PHE 50 Ca -0.01 -0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 55.22 2obx s PHE 50 Cb -0.13 -1.48 -0.07 0.00 0.51 0.00 0.00 43.02 41.84 2obx s PHE 50 CO 0.02 -0.32 0.90 -0.51 0.70 0.00 0.00 175.22 176.01 2obx s ASP 51 N 0.28 7.51 -0.02 1.36 1.11 -1.26 -2.45 116.67 123.19 2obx s ASP 51 Ca -0.13 1.80 0.00 0.00 0.18 0.00 0.00 52.55 54.40 2obx s ASP 51 Cb -0.16 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.29 2obx s ASP 51 CO 0.06 0.09 0.01 -0.69 1.18 0.00 0.00 175.17 175.82 2obx s VAL 52 N -0.71 0.08 0.17 -1.27 1.01 -0.34 -4.93 120.40 114.41 2obx s VAL 52 Ca 0.42 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2obx s VAL 52 Cb -0.24 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.04 2obx s VAL 52 CO 0.29 0.11 1.59 -0.65 0.00 0.00 0.00 175.10 176.45 2obx h PRO 53 N 7.17 -0.21 -4.27 2.72 0.11 -1.93 0.27 132.00 135.87 2obx h PRO 53 Ca -0.43 0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 2obx h PRO 53 Cb 1.13 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 2obx h PRO 53 CO 0.48 -0.14 -0.40 0.20 -0.21 0.00 0.00 178.00 177.93 2obx s GLY 54 N -2.99 1.24 0.23 -0.55 0.00 -1.26 -2.04 107.32 101.95 2obx s GLY 54 Ca -0.15 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.07 2obx s GLY 54 CO 0.68 -1.12 1.80 0.00 0.00 0.00 0.00 173.10 174.47 2obx h ALA 55 N 2.40 1.07 -0.67 3.20 0.00 -1.93 -0.70 119.26 122.64 2obx h ALA 55 Ca -0.31 0.04 0.19 0.00 0.00 0.00 0.00 54.91 54.83 2obx h ALA 55 Cb 1.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2obx h ALA 55 CO 0.44 0.04 0.52 -0.92 0.00 0.00 0.00 179.25 179.34 2obx h TYR 56 N 0.71 0.00 -0.16 0.00 3.20 -1.97 0.47 116.97 119.22 2obx h TYR 56 Ca 0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 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 -0.08 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.83 2obx n GLU 57 N -4.15 1.49 0.00 1.82 4.71 -0.27 -4.32 120.64 119.92 2obx n GLU 57 Ca 0.13 -0.74 -0.18 0.00 -0.01 0.00 0.00 57.16 56.36 2obx n GLU 57 Cb 0.78 -1.27 -0.14 0.00 -1.01 0.00 0.00 31.44 29.81 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 1.35 1.60 0.10 -3.67 2.04 -0.12 -3.32 117.51 115.48 2obx h ILE 58 Ca 0.00 -2.40 0.02 0.00 1.00 0.00 0.00 64.86 63.48 2obx h ILE 58 Cb 0.30 3.19 -0.05 0.00 -0.74 0.00 0.00 36.82 39.52 2obx h ILE 58 CO 0.00 0.66 -0.45 -0.65 0.00 0.00 0.00 178.15 177.71 2obx h PRO 59 N -0.56 -0.65 -0.24 2.37 0.11 -1.75 -0.96 132.00 130.31 2obx h PRO 59 Ca -0.08 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.10 2obx h PRO 59 Cb 1.36 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 2obx h PRO 59 CO 0.09 -0.43 0.17 1.25 -0.21 0.00 0.00 178.00 178.87 2obx h LEU 60 N -0.67 0.16 -0.19 2.35 5.85 -1.86 -0.77 115.31 120.18 2obx h LEU 60 Ca 0.02 -0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.51 2obx h LEU 60 Cb 0.70 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.70 2obx h LEU 60 CO -0.27 0.11 -0.89 -0.74 -0.34 0.00 0.00 178.44 176.31 2obx h HIS 61 N 0.19 0.75 -0.50 1.25 2.76 -1.55 -1.90 115.15 116.15 2obx h HIS 61 Ca 0.10 -0.38 -0.10 0.00 -2.20 0.00 0.00 60.37 57.79 2obx h HIS 61 Cb 0.18 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2obx h HIS 61 CO -0.00 1.19 -0.09 0.00 -1.30 0.00 0.00 177.93 177.73 2obx h ALA 62 N 0.69 0.88 0.42 5.26 0.00 -0.31 -1.22 119.26 124.98 2obx h ALA 62 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2obx h ALA 62 Cb 1.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2obx h ALA 62 CO 0.16 0.64 -0.20 -0.09 0.00 0.00 0.00 179.25 179.76 2obx h ARG 63 N 0.83 -0.54 -0.54 0.00 2.43 -1.12 0.41 114.38 115.84 2obx h ARG 63 Ca 0.14 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2obx h ARG 63 Cb 0.62 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 2obx h ARG 63 CO 0.04 -0.27 0.23 1.15 -1.51 0.00 0.00 179.97 179.61 2obx h THR 64 N -0.73 0.86 0.42 0.20 2.02 -1.31 0.31 112.91 114.67 2obx h THR 64 Ca -0.06 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2obx h THR 64 Cb 0.52 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2obx h THR 64 CO 0.09 0.08 -0.20 -0.07 0.37 0.00 0.00 175.52 175.79 2obx h LEU 65 N 0.43 -0.48 -1.51 2.58 3.38 -1.14 -2.86 115.31 115.71 2obx h LEU 65 Ca 0.26 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.37 2obx h LEU 65 Cb 0.25 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2obx h LEU 65 CO -0.23 -0.29 0.54 0.00 0.09 0.00 0.00 178.44 178.55 2obx h ALA 66 N -0.08 2.10 0.00 1.53 0.00 0.53 -1.21 119.26 122.13 2obx h ALA 66 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2obx h ALA 66 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2obx h ALA 66 CO 0.09 -0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.41 2obx n GLU 67 N -4.50 0.95 0.09 0.00 1.02 0.10 -2.44 120.64 115.87 2obx n GLU 67 Ca 0.16 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 2obx n GLU 67 Cb 0.57 -1.08 0.01 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.58 0.55 -0.92 2.62 -2.24 -0.46 -4.93 114.28 108.33 2obx n THR 68 Ca 0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2obx n THR 68 Cb 0.02 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 1.21 0.70 0.67 3.38 0.00 -1.02 -4.86 105.19 105.26 2obx n GLY 69 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2obx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2obx n ARG 70 N -2.03 1.86 -4.44 1.61 1.74 -1.26 -4.88 116.66 109.25 2obx n ARG 70 Ca 0.00 -1.32 -0.20 0.00 -0.77 0.00 0.00 57.85 55.57 2obx n ARG 70 Cb 0.02 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 2obx n ARG 70 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2obx s TYR 71 N -1.64 0.95 -0.56 -1.55 1.51 -1.26 -4.35 117.35 110.45 2obx s TYR 71 Ca 0.30 -0.19 0.24 0.00 -1.01 0.00 0.00 57.07 56.41 2obx s TYR 71 Cb 0.16 -0.62 0.21 0.00 -0.11 0.00 0.00 41.96 41.60 2obx s TYR 71 CO 0.23 -0.03 1.20 0.41 -1.11 0.00 0.00 175.55 176.25 2obx n GLY 72 N 2.91 -1.37 3.47 0.71 0.00 0.12 -4.94 105.19 106.09 2obx n GLY 72 Ca -0.14 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 2obx n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obx s ALA 73 N -3.21 -1.72 -0.05 4.61 0.00 -1.23 -4.29 121.76 115.88 2obx s ALA 73 Ca 0.04 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2obx s ALA 73 Cb 0.13 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2obx s ALA 73 CO 0.75 -0.65 -0.07 0.08 0.00 0.00 0.00 175.76 175.87 2obx s VAL 74 N -3.00 0.74 -0.17 0.00 1.01 -0.31 -1.55 120.40 117.12 2obx s VAL 74 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2obx s VAL 74 Cb -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2obx s VAL 74 CO -0.07 0.27 0.01 -0.22 0.00 0.00 0.00 175.10 175.08 2obx s LEU 75 N 0.76 3.52 -0.18 3.92 2.96 0.23 -0.22 118.68 129.67 2obx s LEU 75 Ca -0.12 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2obx s LEU 75 Cb -0.14 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2obx s LEU 75 CO 0.01 0.16 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.33 2obx s GLY 76 N 0.42 1.64 -0.01 7.98 0.00 -0.45 0.52 107.32 117.42 2obx s GLY 76 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2obx s GLY 76 CO 0.02 0.14 -0.01 -1.08 0.00 0.00 0.00 173.10 172.17 2obx s THR 77 N 0.87 0.12 0.16 0.90 -1.32 -0.02 0.17 115.64 116.53 2obx s THR 77 Ca -0.01 -0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.22 2obx s THR 77 Cb -0.15 -0.15 0.06 0.00 -1.51 0.00 0.00 72.50 70.75 2obx s THR 77 CO 0.01 0.07 0.96 0.00 -2.21 0.00 0.00 174.62 173.45 2obx s ALA 78 N 0.34 -1.64 -0.22 11.08 0.00 -0.72 -1.04 121.76 129.56 2obx s ALA 78 Ca -0.03 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2obx s ALA 78 Cb -0.05 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.77 2obx s ALA 78 CO -0.01 -1.05 -0.08 0.12 0.00 0.00 0.00 175.76 174.75 2obx s PHE 79 N -3.25 2.40 -0.38 0.00 5.99 -1.26 -0.85 117.98 120.63 2obx s PHE 79 Ca 0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 56.93 55.34 2obx s PHE 79 Cb -0.01 -1.60 0.09 0.00 0.00 0.00 0.00 43.02 41.49 2obx s PHE 79 CO 0.03 -0.76 0.16 0.08 -0.00 0.00 0.00 175.22 174.73 2obx s VAL 80 N 1.40 3.38 0.46 3.12 1.01 0.76 -4.86 120.40 125.66 2obx s VAL 80 Ca -0.04 -1.77 0.05 0.00 0.00 0.00 0.00 61.98 60.21 2obx s VAL 80 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2obx s VAL 80 CO -0.07 -0.52 0.04 0.68 0.00 0.00 0.00 175.10 175.24 2obx s VAL 81 N 1.22 1.68 -0.50 2.92 -7.23 -1.26 -4.19 120.40 113.03 2obx s VAL 81 Ca 0.04 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 2obx s VAL 81 Cb -0.22 -2.62 0.07 0.00 0.56 0.00 0.00 36.38 34.16 2obx s VAL 81 CO -0.02 0.00 0.55 0.21 -0.31 0.00 0.00 175.10 175.53 2obx s ASN 82 N -3.82 6.20 0.00 4.85 2.47 -1.26 -4.68 114.94 118.70 2obx s ASN 82 Ca 0.24 -1.08 0.17 0.00 0.42 0.00 0.00 52.86 52.61 2obx s ASN 82 Cb 0.05 -2.25 1.01 0.00 -1.45 0.00 0.00 41.25 38.61 2obx s ASN 82 CO 0.13 -0.82 1.62 0.61 -3.72 0.00 0.00 177.10 174.91 2obx n GLY 83 N 5.19 -0.95 1.31 1.21 0.00 -1.26 -4.72 105.19 105.97 2obx n GLY 83 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.70 3.29 0.07 -0.02 0.00 -1.26 -4.88 105.19 103.10 2obx n GLY 84 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2obx n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2obx n ILE 85 N -2.00 0.64 -3.67 -0.61 5.41 -1.26 -5.03 119.36 112.84 2obx n ILE 85 Ca 0.00 0.34 -0.23 0.00 1.00 0.00 0.00 62.75 63.86 2obx n ILE 85 Cb 0.00 -1.85 -0.02 0.00 -0.71 0.00 0.00 39.64 37.07 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 -1.81 3.48 0.16 1.39 1.51 -1.26 -5.09 117.35 115.73 2obx s TYR 86 Ca -0.12 0.17 -0.24 0.00 -1.01 0.00 0.00 57.07 55.87 2obx s TYR 86 Cb 0.02 -1.74 -0.08 0.00 -0.11 0.00 0.00 41.96 40.05 2obx s TYR 86 CO 0.18 0.28 0.75 1.03 -1.11 0.00 0.00 175.55 176.68 2obx s ARG 87 N -4.13 4.52 -0.01 -0.62 0.52 -1.26 -4.46 118.95 113.50 2obx s ARG 87 Ca 0.37 1.10 0.18 0.00 -0.52 0.00 0.00 55.73 56.86 2obx s ARG 87 Cb -0.09 -3.25 -0.23 0.00 0.52 0.00 0.00 34.95 31.90 2obx s ARG 87 CO 0.32 0.58 0.62 -2.39 0.02 0.00 0.00 175.30 174.45 2obx n HIS 88 N 1.58 0.00 -0.26 -0.53 1.44 -1.26 -4.62 115.22 111.56 2obx n HIS 88 Ca -0.06 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.64 2obx n HIS 88 Cb 0.49 -0.17 0.20 0.00 0.12 0.00 0.00 29.99 30.64 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 1.09 -0.16 -1.40 3.07 -1.94 -1.65 114.58 113.59 2obx h GLU 89 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2obx h GLU 89 Cb 0.58 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2obx h GLU 89 CO 0.00 0.73 0.10 0.74 -1.40 0.00 0.00 179.01 179.18 2obx h PHE 90 N 1.12 0.20 -0.38 4.33 -1.00 -1.99 0.16 116.94 119.37 2obx h PHE 90 Ca 0.30 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.01 2obx h PHE 90 Cb -0.11 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 2obx h PHE 90 CO 0.00 0.14 -0.04 0.28 -1.61 0.00 0.00 178.31 177.08 2obx h VAL 91 N 0.21 1.27 0.01 -0.55 2.07 -1.84 -1.15 116.25 116.26 2obx h VAL 91 Ca 0.06 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2obx h VAL 91 Cb -0.01 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2obx h VAL 91 CO -0.01 0.36 -0.17 0.00 0.02 0.00 0.00 177.57 177.77 2obx h ALA 92 N 0.86 -0.21 -0.32 1.67 0.00 -1.06 -1.05 119.26 119.15 2obx h ALA 92 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2obx h ALA 92 Cb 0.53 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2obx h ALA 92 CO 0.03 -0.66 -0.04 1.03 0.00 0.00 0.00 179.25 179.60 2obx h SER 93 N -0.28 -0.21 -0.43 0.00 0.87 -0.62 -1.73 113.55 111.14 2obx h SER 93 Ca 0.05 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2obx h SER 93 Cb 0.35 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2obx h SER 93 CO -0.16 -0.07 0.24 0.00 -0.53 0.00 0.00 176.83 176.31 2obx h ALA 94 N 1.30 1.55 -0.02 6.23 0.00 -0.81 -1.14 119.26 126.37 2obx h ALA 94 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2obx h ALA 94 Cb 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2obx h ALA 94 CO -0.29 0.37 -0.55 0.28 0.00 0.00 0.00 179.25 179.05 2obx h VAL 95 N 0.64 1.42 -0.44 0.00 2.07 -0.72 0.06 116.25 119.29 2obx h VAL 95 Ca 0.16 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 2obx h VAL 95 Cb 0.04 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 2obx h VAL 95 CO -0.03 0.59 0.11 0.40 0.02 0.00 0.00 177.57 178.67 2obx h ILE 96 N -0.09 1.23 -0.13 4.57 1.08 -1.19 -0.27 117.51 122.72 2obx h ILE 96 Ca -0.06 -0.79 -0.09 0.00 -0.39 0.00 0.00 64.86 63.52 2obx h ILE 96 Cb 1.25 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 2obx h ILE 96 CO 0.11 0.28 -0.32 0.44 -0.69 0.00 0.00 178.15 177.97 2obx h ASP 97 N 0.58 0.26 0.07 1.72 3.32 -1.29 -2.73 116.42 118.34 2obx h ASP 97 Ca 0.14 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2obx h ASP 97 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2obx h ASP 97 CO 0.00 0.58 -0.03 1.23 -1.72 0.00 0.00 179.24 179.29 2obx h GLY 98 N 1.08 -0.10 1.87 2.75 0.00 -0.28 -0.94 103.07 107.45 2obx h GLY 98 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2obx h GLY 98 CO 0.05 -0.03 -0.01 -0.33 0.00 0.00 0.00 176.54 176.22 2obx h MET 99 N -0.31 0.17 -0.32 4.80 2.86 -1.02 0.01 114.93 121.12 2obx h MET 99 Ca -0.01 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2obx h MET 99 Cb 0.27 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2obx h MET 99 CO 0.02 0.20 -0.16 1.98 1.06 0.00 0.00 176.91 180.01 2obx h MET 100 N 0.17 0.68 -0.72 1.72 -1.53 -1.25 -2.23 114.93 111.77 2obx h MET 100 Ca 0.04 -0.30 -0.04 0.00 -3.44 0.00 0.00 59.70 55.96 2obx h MET 100 Cb 0.14 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.14 2obx h MET 100 CO 0.00 0.89 0.29 -0.97 0.14 0.00 0.00 176.91 177.27 2obx h ASN 101 N 0.44 0.99 0.37 1.39 -0.73 -0.43 -2.03 115.58 115.58 2obx h ASN 101 Ca 0.07 -0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.05 2obx h ASN 101 Cb 0.70 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2obx h ASN 101 CO 0.05 0.89 -0.18 0.58 -0.37 0.00 0.00 177.43 178.40 2obx h VAL 102 N 1.03 0.65 -0.68 2.57 2.07 -0.93 -0.69 116.25 120.27 2obx h VAL 102 Ca 0.24 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2obx h VAL 102 Cb 0.20 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2obx h VAL 102 CO -0.02 0.06 0.33 0.06 0.02 0.00 0.00 177.57 178.01 2obx h GLN 103 N -0.66 0.96 -0.41 1.57 3.07 -1.39 0.45 115.11 118.70 2obx h GLN 103 Ca -0.05 -0.13 -0.08 0.00 0.09 0.00 0.00 58.65 58.48 2obx h GLN 103 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 2obx h GLN 103 CO 0.08 0.74 -0.08 -0.07 0.09 0.00 0.00 178.83 179.60 2obx h LEU 104 N 0.96 0.69 0.49 0.06 3.38 -1.33 0.63 115.31 120.19 2obx h LEU 104 Ca 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2obx h LEU 104 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2obx h LEU 104 CO -0.03 0.81 -0.23 -1.28 0.09 0.00 0.00 178.44 177.80 2obx h SER 105 N 0.66 -0.55 1.63 -0.43 0.87 0.17 -3.32 113.55 112.57 2obx h SER 105 Ca 0.12 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2obx h SER 105 Cb 0.52 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2obx h SER 105 CO 0.03 -0.18 -0.21 0.71 -0.53 0.00 0.00 176.83 176.66 2obx h THR 106 N -1.00 0.00 0.00 2.23 1.35 -0.16 -3.47 112.91 111.86 2obx h THR 106 Ca -0.07 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2obx h THR 106 Cb 0.59 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2obx h THR 106 CO 0.11 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2obx n GLY 107 N 1.18 0.44 3.66 5.82 0.00 0.22 -4.98 105.19 111.53 2obx n GLY 107 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.05 5.34 0.56 1.61 1.01 -1.21 -5.02 120.40 120.63 2obx s VAL 108 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 2obx s VAL 108 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2obx s VAL 108 CO 0.00 0.34 1.32 -2.65 0.00 0.00 0.00 175.10 174.11 2obx n PRO 109 N 4.29 1.59 -3.65 2.72 -0.02 -1.26 -4.32 135.00 134.34 2obx n PRO 109 Ca -0.14 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 2obx n PRO 109 Cb 0.52 -2.53 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 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 -1.31 -0.00 0.11 -1.45 1.01 -1.26 -1.16 120.40 116.34 2obx s VAL 110 Ca 0.73 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 2obx s VAL 110 Cb -0.42 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 2obx s VAL 110 CO 0.48 -0.08 0.45 -0.76 0.00 0.00 0.00 175.10 175.20 2obx s LEU 111 N 2.11 4.34 -0.32 3.92 1.02 0.69 -4.95 118.68 125.49 2obx s LEU 111 Ca 0.03 0.88 -0.11 0.00 0.02 0.00 0.00 54.13 54.95 2obx s LEU 111 Cb -0.14 -3.10 -0.01 0.00 0.02 0.00 0.00 46.19 42.95 2obx s LEU 111 CO -0.07 0.14 0.18 -0.55 0.02 0.00 0.00 176.35 176.08 2obx s SER 112 N -1.78 5.74 -0.27 2.29 0.15 -1.26 -1.34 113.70 117.22 2obx s SER 112 Ca 0.35 -0.49 0.08 0.00 0.70 0.00 0.00 55.95 56.59 2obx s SER 112 Cb -0.14 -2.05 0.45 0.00 -1.71 0.00 0.00 66.02 62.57 2obx s SER 112 CO 0.19 -0.21 1.20 0.00 1.20 0.00 0.00 173.24 175.61 2obx n ALA 113 N 5.03 4.73 -3.19 5.45 0.00 0.13 -4.95 120.51 127.71 2obx n ALA 113 Ca -0.13 -3.69 -0.46 0.00 0.00 0.00 0.00 53.44 49.17 2obx n ALA 113 Cb 0.49 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 -4.31 5.17 -0.01 0.00 1.01 -1.22 -1.75 120.40 119.29 2obx s VAL 114 Ca 0.48 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2obx s VAL 114 Cb 0.40 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2obx s VAL 114 CO 0.02 -0.83 0.11 -0.76 0.00 0.00 0.00 175.10 173.63 2obx s LEU 115 N 1.73 4.03 -0.19 3.92 2.01 -0.03 -4.91 118.68 125.24 2obx s LEU 115 Ca 0.04 0.21 -0.02 0.00 0.01 0.00 0.00 54.13 54.38 2obx s LEU 115 Cb -0.28 -2.34 0.06 0.00 0.01 0.00 0.00 46.19 43.64 2obx s LEU 115 CO 0.04 0.28 0.01 -0.89 1.01 0.00 0.00 176.35 176.80 2obx s THR 116 N -1.21 0.76 0.54 5.49 2.01 -1.26 -0.17 115.64 121.80 2obx s THR 116 Ca 0.23 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 2obx s THR 116 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2obx s THR 116 CO 0.14 -0.12 0.87 -2.16 -0.69 0.00 0.00 174.62 172.66 2obx s PRO 117 N 1.76 3.42 0.22 4.92 0.04 -1.26 -4.98 135.00 139.11 2obx s PRO 117 Ca -0.01 0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.26 2obx s PRO 117 Cb -0.17 -2.29 0.19 0.00 0.04 0.00 0.00 34.50 32.27 2obx s PRO 117 CO -0.07 -0.40 1.67 0.45 0.04 0.00 0.00 177.00 178.68 2obx h HIS 118 N 0.01 0.97 -3.53 0.56 3.86 -2.00 -3.44 115.15 111.57 2obx h HIS 118 Ca -0.46 -0.18 -0.23 0.00 -1.16 0.00 0.00 60.37 58.34 2obx h HIS 118 Cb 1.21 -0.25 -0.29 0.00 1.06 0.00 0.00 27.41 29.15 2obx h HIS 118 CO 0.58 0.92 -0.65 -0.80 0.86 0.00 0.00 177.93 178.83 2obx s ASN 119 N -6.67 -0.05 -0.29 2.45 -0.87 -1.26 -5.01 114.94 103.24 2obx s ASN 119 Ca -0.10 0.13 0.04 0.00 -1.57 0.00 0.00 52.86 51.37 2obx s ASN 119 Cb 0.14 0.10 0.19 0.00 -0.02 0.00 0.00 41.25 41.66 2obx s ASN 119 CO 0.84 -0.05 0.57 -0.47 -2.57 0.00 0.00 177.10 175.42 2obx s TYR 120 N 0.35 -1.74 -0.27 2.20 5.04 -1.26 -5.01 117.35 116.65 2obx s TYR 120 Ca -0.03 1.13 0.12 0.00 -2.44 0.00 0.00 57.07 55.85 2obx s TYR 120 Cb -0.04 0.32 0.61 0.00 0.35 0.00 0.00 41.96 43.19 2obx s TYR 120 CO -0.01 -1.04 1.59 0.72 -1.34 0.00 0.00 175.55 175.46 2obx n HIS 121 N 5.42 1.59 -4.40 4.97 8.25 -1.26 -4.74 115.22 125.05 2obx n HIS 121 Ca 0.04 -1.23 -0.38 0.00 -0.26 0.00 0.00 57.72 55.89 2obx n HIS 121 Cb 0.53 -0.52 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 2obx n HIS 121 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2obx n ASP 122 N -0.59 -1.29 -4.92 0.41 -0.08 -1.26 -4.90 116.55 103.93 2obx n ASP 122 Ca 0.33 -1.20 -0.26 0.00 -1.51 0.00 0.00 54.79 52.15 2obx n ASP 122 Cb 1.14 -1.89 0.00 0.00 2.34 0.00 0.00 41.12 42.71 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 -3.61 6.12 0.20 1.67 1.04 -1.26 -4.80 113.70 113.05 2obx s SER 123 Ca 0.56 0.75 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 2obx s SER 123 Cb -0.32 -2.05 0.23 0.00 0.10 0.00 0.00 66.02 63.98 2obx s SER 123 CO 1.00 -0.63 1.65 0.00 0.98 0.00 0.00 173.24 176.24 2obx h ALA 124 N 0.26 0.46 0.03 5.32 0.00 -1.99 0.32 119.26 123.65 2obx h ALA 124 Ca -0.47 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2obx h ALA 124 Cb 1.22 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2obx h ALA 124 CO 0.61 -0.42 -0.01 0.93 0.00 0.00 0.00 179.25 180.36 2obx h GLU 125 N 0.04 -0.03 -0.66 0.00 3.07 -2.00 -2.15 114.58 112.85 2obx h GLU 125 Ca 0.29 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.24 2obx h GLU 125 Cb 0.46 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.31 2obx h GLU 125 CO -0.57 0.23 0.31 0.45 -1.40 0.00 0.00 179.01 178.04 2obx h HIS 126 N -0.30 0.56 -0.37 4.33 3.86 -1.75 -1.67 115.15 119.81 2obx h HIS 126 Ca -0.00 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 2obx h HIS 126 Cb 0.28 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2obx h HIS 126 CO 0.02 0.20 0.05 1.25 0.86 0.00 0.00 177.93 180.31 2obx h HIS 127 N 0.54 0.65 0.16 2.45 -0.00 -0.36 -2.95 115.15 115.64 2obx h HIS 127 Ca 0.32 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.61 2obx h HIS 127 Cb 0.34 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 2obx h HIS 127 CO -0.12 0.67 -0.30 -0.09 -0.00 0.00 0.00 177.93 178.09 2obx h ARG 128 N 0.45 -0.52 0.00 5.26 2.43 -0.94 -2.13 114.38 118.93 2obx h ARG 128 Ca 0.11 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2obx h ARG 128 Cb 0.37 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2obx h ARG 128 CO 0.01 -0.35 -0.20 0.35 -1.51 0.00 0.00 179.97 178.27 2obx h PHE 129 N -0.54 -0.59 0.00 2.20 3.57 -1.26 -2.35 116.94 117.97 2obx h PHE 129 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2obx h PHE 129 Cb 0.55 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2obx h PHE 129 CO -0.25 -0.22 0.00 0.74 -2.23 0.00 0.00 178.31 176.36 2obx h PHE 130 N -0.25 0.00 -0.02 0.41 -1.00 -1.58 -0.21 116.94 114.30 2obx h PHE 130 Ca 0.00 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.67 2obx h PHE 130 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2obx h PHE 130 CO -0.41 0.00 -0.54 0.35 -1.61 0.00 0.00 178.31 176.10 2obx h PHE 131 N 0.00 0.05 0.01 -0.55 3.57 -0.87 -2.16 116.94 116.99 2obx h PHE 131 Ca 0.00 -0.02 -0.32 0.00 3.53 0.00 0.00 57.97 61.16 2obx h PHE 131 Cb 0.16 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2obx h PHE 131 CO 0.00 0.57 -1.93 0.39 -2.23 0.00 0.00 178.31 175.11 2obx n GLU 132 N -3.90 0.66 0.22 1.11 1.02 -0.41 -4.14 120.64 115.19 2obx n GLU 132 Ca -0.01 0.21 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2obx n GLU 132 Cb 0.55 -1.71 0.39 0.00 -0.02 0.00 0.00 31.44 30.65 2obx n GLU 132 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2obx h HIS 133 N 0.01 0.00 0.00 -0.32 2.76 -1.08 -2.94 115.15 113.58 2obx h HIS 133 Ca -0.38 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.70 2obx h HIS 133 Cb 2.07 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.02 2obx h HIS 133 CO 0.01 0.22 -0.43 0.74 -1.30 0.00 0.00 177.93 177.16 2obx h PHE 134 N 0.00 0.00 -0.40 5.26 -1.00 -1.55 -1.21 116.94 118.05 2obx h PHE 134 Ca -0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 2obx h PHE 134 Cb 0.85 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.39 2obx h PHE 134 CO 0.00 0.43 -0.19 1.79 -1.61 0.00 0.00 178.31 178.73 2obx h THR 135 N 0.00 1.27 -0.12 -1.55 1.35 -1.55 0.19 112.91 112.49 2obx h THR 135 Ca -0.00 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2obx h THR 135 Cb 0.80 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 2obx h THR 135 CO 0.06 0.43 0.08 0.58 -0.25 0.00 0.00 175.52 176.41 2obx h VAL 136 N 0.68 1.05 -0.32 6.82 2.07 -1.44 -1.24 116.25 123.86 2obx h VAL 136 Ca 0.10 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2obx h VAL 136 Cb 0.69 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2obx h VAL 136 CO 0.05 0.05 -0.04 0.11 0.02 0.00 0.00 177.57 177.76 2obx h LYS 137 N 0.14 0.51 -0.51 1.57 1.79 -0.94 -1.30 116.57 117.83 2obx h LYS 137 Ca 0.04 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 2obx h LYS 137 Cb 0.01 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2obx h LYS 137 CO -0.01 0.57 0.05 0.78 -1.08 0.00 0.00 179.45 179.76 2obx h GLY 138 N 0.86 0.88 1.00 3.86 0.00 -0.19 0.18 103.07 109.66 2obx h GLY 138 Ca 0.10 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.73 2obx h GLY 138 CO 0.02 0.52 -0.39 1.70 0.00 0.00 0.00 176.54 178.39 2obx h LYS 139 N 0.77 0.72 -0.07 4.80 3.64 -0.73 -2.73 116.57 122.96 2obx h LYS 139 Ca 0.16 -0.43 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2obx h LYS 139 Cb 0.40 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2obx h LYS 139 CO 0.01 1.05 -0.09 0.93 -2.27 0.00 0.00 179.45 179.08 2obx h GLU 140 N 0.45 -0.11 -0.67 1.90 5.08 -0.87 -2.38 114.58 117.97 2obx h GLU 140 Ca 0.02 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2obx h GLU 140 Cb 0.98 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2obx h GLU 140 CO 0.09 -0.07 0.39 0.00 -1.00 0.00 0.00 179.01 178.42 2obx h ALA 141 N 0.94 0.90 -0.60 3.43 0.00 -0.95 -1.26 119.26 121.72 2obx h ALA 141 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2obx h ALA 141 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2obx h ALA 141 CO -0.14 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.29 2obx h ALA 142 N 1.33 1.03 0.00 0.00 0.00 -1.26 0.10 119.26 120.46 2obx h ALA 142 Ca 0.29 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2obx h ALA 142 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2obx h ALA 142 CO -0.16 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.41 2obx h ARG 143 N 0.92 0.00 0.06 0.00 3.08 -1.10 -1.68 114.38 115.65 2obx h ARG 143 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.00 2obx h ARG 143 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2obx h ARG 143 CO 0.01 0.30 -1.08 0.00 -1.07 0.00 0.00 179.97 178.13 2obx h ALA 144 N 1.70 0.28 -0.00 0.04 0.00 -0.73 -2.59 119.26 117.95 2obx h ALA 144 Ca -0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 2obx h ALA 144 Cb 0.93 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2obx h ALA 144 CO 0.04 1.06 0.00 0.00 0.00 0.00 0.00 179.25 180.35 2obx h VAL 146 N -0.29 0.71 -0.65 0.00 2.07 -1.38 -2.32 116.25 114.39 2obx h VAL 146 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2obx h VAL 146 Cb 0.30 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2obx h VAL 146 CO 0.00 0.00 0.38 -0.33 0.02 0.00 0.00 177.57 177.64 2obx h GLU 147 N -0.05 0.69 -0.33 1.57 5.08 -1.36 -1.42 114.58 118.77 2obx h GLU 147 Ca 0.11 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2obx h GLU 147 Cb 0.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2obx h GLU 147 CO -0.25 0.46 -0.11 0.97 -1.00 0.00 0.00 179.01 179.08 2obx h ILE 148 N 0.72 1.28 -0.20 3.13 6.09 -0.99 0.31 117.51 127.86 2obx h ILE 148 Ca 0.28 -1.18 0.01 0.00 -1.37 0.00 0.00 64.86 62.60 2obx h ILE 148 Cb 0.12 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 2obx h ILE 148 CO -0.15 0.38 0.12 -0.07 -3.07 0.00 0.00 178.15 175.36 2obx h LEU 149 N 0.43 0.19 -1.04 2.19 3.38 -1.29 -1.80 115.31 117.36 2obx h LEU 149 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2obx h LEU 149 Cb 0.62 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2obx h LEU 149 CO 0.04 0.14 0.58 0.00 0.09 0.00 0.00 178.44 179.29 2obx h ALA 150 N 1.08 1.29 0.00 1.53 0.00 -1.07 -0.87 119.26 121.22 2obx h ALA 150 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2obx h ALA 150 Cb -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2obx h ALA 150 CO -0.03 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2obx h ALA 151 N 1.38 1.00 0.00 0.00 0.00 0.16 -2.70 119.26 119.11 2obx h ALA 151 Ca 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 2obx h ALA 151 Cb -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2obx h ALA 151 CO -0.07 0.00 -1.08 0.00 0.00 0.00 0.00 179.25 178.10 2obx h ARG 152 N 0.00 0.00 -0.10 0.00 3.08 -0.32 -3.22 114.38 113.82 2obx h ARG 152 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2obx h ARG 152 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2obx h ARG 152 CO 0.00 0.54 -0.29 0.93 -1.07 0.00 0.00 179.97 180.07 2obx h GLU 153 N 0.00 0.18 -0.09 0.04 5.08 -1.38 -2.52 114.58 115.88 2obx h GLU 153 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2obx h GLU 153 Cb 1.63 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2obx h GLU 153 CO 0.08 0.46 0.00 1.63 -1.00 0.00 0.00 179.01 180.18 2obx n LYS 154 N -4.14 0.60 0.00 2.33 5.02 -1.22 -5.16 118.16 115.59 2obx n LYS 154 Ca -0.01 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.30 2obx n LYS 154 Cb 0.38 -1.05 0.02 0.00 -0.02 0.00 0.00 35.03 34.36 2obx n LYS 154 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99