#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obx s THR 11 N 0.00 3.66 -0.06 3.84 2.01 -1.26 -4.65 115.64 119.18 2obx s THR 11 Ca 0.00 -1.28 0.05 0.00 0.31 0.00 0.00 61.69 60.77 2obx s THR 11 Cb 0.00 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 2obx s THR 11 CO 0.00 0.01 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.04 2obx s VAL 12 N -1.46 1.82 -0.04 3.82 1.01 0.17 -4.98 120.40 120.74 2obx s VAL 12 Ca 0.25 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2obx s VAL 12 Cb -0.10 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2obx s VAL 12 CO 0.17 0.51 0.61 -0.13 0.00 0.00 0.00 175.10 176.26 2obx s ARG 13 N 0.01 4.36 -0.07 2.72 1.81 -1.26 -0.38 118.95 126.14 2obx s ARG 13 Ca -0.06 0.73 0.04 0.00 -1.72 0.00 0.00 55.73 54.73 2obx s ARG 13 Cb -0.14 -3.39 -0.00 0.00 -0.45 0.00 0.00 34.95 30.97 2obx s ARG 13 CO 0.04 0.24 -0.21 0.42 -0.68 0.00 0.00 175.30 175.11 2obx s ILE 14 N 0.25 1.78 -0.11 1.52 1.09 0.56 0.10 121.20 126.39 2obx s ILE 14 Ca 0.32 -0.88 -0.03 0.00 -1.10 0.00 0.00 60.65 58.96 2obx s ILE 14 Cb -0.18 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.66 2obx s ILE 14 CO 0.16 0.50 -0.00 0.00 -0.10 0.00 0.00 174.94 175.50 2obx s ALA 15 N 0.16 3.25 -0.15 9.38 0.00 -0.88 -0.95 121.76 132.57 2obx s ALA 15 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2obx s ALA 15 Cb -0.15 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 2obx s ALA 15 CO 0.05 0.49 -0.15 0.08 0.00 0.00 0.00 175.76 176.23 2obx s VAL 16 N -0.57 2.72 -0.30 0.00 1.01 0.79 -0.30 120.40 123.75 2obx s VAL 16 Ca 0.10 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2obx s VAL 16 Cb -0.12 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2obx s VAL 16 CO 0.02 0.52 0.02 -0.69 0.00 0.00 0.00 175.10 174.97 2obx s VAL 17 N 0.73 3.22 0.01 2.92 1.01 0.03 0.56 120.40 128.89 2obx s VAL 17 Ca -0.06 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 60.79 2obx s VAL 17 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2obx s VAL 17 CO 0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 175.10 174.84 2obx s ARG 18 N 1.32 2.05 0.50 2.72 1.70 -0.77 -1.37 118.95 125.10 2obx s ARG 18 Ca -0.03 -0.97 -0.12 0.00 -0.47 0.00 0.00 55.73 54.14 2obx s ARG 18 Cb -0.19 -2.10 -0.06 0.00 -0.57 0.00 0.00 34.95 32.03 2obx s ARG 18 CO -0.01 0.55 0.90 0.00 -1.08 0.00 0.00 175.30 175.66 2obx s ALA 19 N -0.77 3.20 -2.81 7.88 0.00 -0.60 -1.60 121.76 127.05 2obx s ALA 19 Ca 0.12 -0.07 0.24 0.00 0.00 0.00 0.00 51.96 52.25 2obx s ALA 19 Cb -0.10 -2.92 0.29 0.00 0.00 0.00 0.00 23.12 20.39 2obx s ALA 19 CO 0.02 -0.26 1.32 0.54 0.00 0.00 0.00 175.76 177.37 2obx n ARG 20 N -1.79 2.38 -2.50 0.00 5.12 -0.70 -4.62 116.66 114.55 2obx n ARG 20 Ca 0.04 -2.03 -0.41 0.00 -1.93 0.00 0.00 57.85 53.52 2obx n ARG 20 Cb 0.54 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 2obx n ARG 20 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2obx s TRP 21 N -1.83 3.57 -1.56 -1.55 0.52 -1.24 -2.56 118.94 114.29 2obx s TRP 21 Ca 0.32 1.55 -0.14 0.00 0.02 0.00 0.00 56.10 57.85 2obx s TRP 21 Cb 0.21 -3.30 0.10 0.00 -1.15 0.00 0.00 33.47 29.33 2obx s TRP 21 CO 0.31 -0.70 0.90 0.72 0.02 0.00 0.00 176.95 178.20 2obx n HIS 22 N 2.70 -2.12 -0.34 -1.98 8.25 -1.26 -4.56 115.22 115.91 2obx n HIS 22 Ca 0.04 0.87 0.15 0.00 -0.26 0.00 0.00 57.72 58.52 2obx n HIS 22 Cb 0.46 -3.73 0.34 0.00 1.12 0.00 0.00 29.99 28.19 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 0.95 1.65 -0.11 -1.41 0.00 -1.75 -0.35 119.26 118.23 2obx h ALA 23 Ca -0.59 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2obx h ALA 23 Cb 1.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2obx h ALA 23 CO 0.69 -0.21 -0.09 0.22 0.00 0.00 0.00 179.25 179.86 2obx h ASP 24 N 0.60 -0.31 -0.51 0.00 1.82 -1.88 0.19 116.42 116.32 2obx h ASP 24 Ca 0.60 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 57.26 2obx h ASP 24 Cb 1.06 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 2obx h ASP 24 CO -0.45 -0.05 0.25 0.40 -1.61 0.00 0.00 179.24 177.78 2obx h ILE 25 N -0.03 1.20 -0.79 2.25 2.04 -1.72 -3.02 117.51 117.44 2obx h ILE 25 Ca 0.02 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.37 2obx h ILE 25 Cb 0.07 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2obx h ILE 25 CO -0.12 0.22 0.52 0.58 0.00 0.00 0.00 178.15 179.35 2obx h VAL 26 N 0.68 1.08 0.00 1.67 2.07 -0.64 -2.49 116.25 118.63 2obx h VAL 26 Ca 0.18 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2obx h VAL 26 Cb 0.12 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2obx h VAL 26 CO -0.02 0.17 -0.13 0.44 0.02 0.00 0.00 177.57 178.05 2obx h ASP 27 N 0.92 0.00 0.04 0.57 3.45 -0.50 -2.19 116.42 118.70 2obx h ASP 27 Ca 0.33 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.65 2obx h ASP 27 Cb 0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 2obx h ASP 27 CO -0.11 0.13 -0.44 1.56 -1.57 0.00 0.00 179.24 178.81 2obx h GLN 28 N 0.00 0.49 -0.19 3.56 1.08 -1.49 0.12 115.11 118.68 2obx h GLN 28 Ca -0.00 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 56.89 2obx h GLN 28 Cb 0.51 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2obx h GLN 28 CO 0.02 0.84 -0.06 0.00 -0.95 0.00 0.00 178.83 178.68 2obx h VAL 30 N 0.09 0.70 -0.89 0.00 2.07 -1.20 0.46 116.25 117.49 2obx h VAL 30 Ca 0.05 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2obx h VAL 30 Cb 0.52 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2obx h VAL 30 CO 0.02 0.02 0.57 0.77 0.02 0.00 0.00 177.57 178.97 2obx h SER 31 N -0.48 0.94 -0.39 0.57 4.64 -0.82 0.14 113.55 118.14 2obx h SER 31 Ca -0.04 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2obx h SER 31 Cb 0.36 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2obx h SER 31 CO 0.07 0.64 0.18 0.00 -0.87 0.00 0.00 176.83 176.85 2obx h ALA 32 N 1.38 0.50 -0.31 5.18 0.00 -0.90 0.93 119.26 126.04 2obx h ALA 32 Ca 0.36 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2obx h ALA 32 Cb 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2obx h ALA 32 CO -0.13 0.08 -0.03 0.35 0.00 0.00 0.00 179.25 179.52 2obx h PHE 33 N 0.49 -0.08 -0.38 0.00 3.57 0.75 0.38 116.94 121.66 2obx h PHE 33 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2obx h PHE 33 Cb 0.14 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2obx h PHE 33 CO -0.01 -0.09 0.25 0.93 -2.23 0.00 0.00 178.31 177.16 2obx h GLU 34 N 0.05 0.50 0.55 1.11 5.08 -0.29 -0.02 114.58 121.56 2obx h GLU 34 Ca 0.15 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2obx h GLU 34 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2obx h GLU 34 CO -0.28 0.34 -0.49 0.00 -1.00 0.00 0.00 179.01 177.58 2obx h ALA 35 N 1.14 -1.13 -0.96 3.43 0.00 -0.07 -1.74 119.26 119.92 2obx h ALA 35 Ca 0.14 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2obx h ALA 35 Cb -0.05 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2obx h ALA 35 CO -0.03 -1.17 0.60 0.93 0.00 0.00 0.00 179.25 179.59 2obx h GLU 36 N -1.02 0.99 -0.88 0.00 4.39 -0.90 0.12 114.58 117.28 2obx h GLU 36 Ca -0.07 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.65 2obx h GLU 36 Cb 0.88 -0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 2obx h GLU 36 CO -0.03 0.66 0.54 1.98 -1.16 0.00 0.00 179.01 181.00 2obx h MET 37 N 1.02 0.93 -0.03 2.33 4.05 -0.74 -1.80 114.93 120.70 2obx h MET 37 Ca 0.45 -0.06 -0.17 0.00 -0.28 0.00 0.00 59.70 59.65 2obx h MET 37 Cb 0.33 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2obx h MET 37 CO -0.22 0.61 -0.64 0.00 0.23 0.00 0.00 176.91 176.89 2obx h ALA 38 N 1.43 0.12 -0.70 0.39 0.00 -0.19 -0.15 119.26 120.16 2obx h ALA 38 Ca 0.40 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2obx h ALA 38 Cb 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2obx h ALA 38 CO -0.20 0.41 0.42 -0.44 0.00 0.00 0.00 179.25 179.44 2obx h ASP 39 N 0.03 0.85 0.19 0.00 3.32 -0.51 0.14 116.42 120.44 2obx h ASP 39 Ca -0.07 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2obx h ASP 39 Cb 1.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2obx h ASP 39 CO 0.13 0.66 -1.86 2.30 -1.72 0.00 0.00 179.24 178.75 2obx n ILE 40 N -4.54 0.33 -0.06 0.35 -5.35 -0.70 -4.51 119.36 104.87 2obx n ILE 40 Ca 0.06 -0.56 -0.17 0.00 -0.27 0.00 0.00 62.75 61.81 2obx n ILE 40 Cb 0.06 -0.15 -0.14 0.00 -1.74 0.00 0.00 39.64 37.68 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 1.31 -0.61 3.04 3.28 0.00 -0.07 -5.08 105.19 107.07 2obx n GLY 41 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 2.00 -0.89 4.70 -0.02 0.00 0.50 -2.84 105.19 108.64 2obx n GLY 42 Ca -0.35 0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.89 0.00 0.08 1.61 5.75 -1.26 -4.65 116.55 119.97 2obx n ASP 43 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.71 2obx n ASP 43 Cb 0.24 -1.65 -0.05 0.00 -1.03 0.00 0.00 41.12 38.63 2obx n ASP 43 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2obx h ARG 44 N 0.00 0.00 -6.68 0.11 -0.00 -1.79 -3.42 114.38 102.60 2obx h ARG 44 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 59.98 59.30 2obx h ARG 44 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 29.97 29.78 2obx h ARG 44 CO 0.00 0.65 -0.80 -0.06 -0.00 0.00 0.00 179.97 179.76 2obx s PHE 45 N -2.84 2.55 -0.06 4.08 0.40 -1.26 0.46 117.98 121.31 2obx s PHE 45 Ca 0.01 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 2obx s PHE 45 Cb 0.09 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.26 2obx s PHE 45 CO 0.79 0.36 -0.09 0.00 0.70 0.00 0.00 175.22 176.97 2obx s ALA 46 N -1.09 1.03 -0.21 5.36 0.00 0.49 -4.85 121.76 122.49 2obx s ALA 46 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 2obx s ALA 46 Cb -0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2obx s ALA 46 CO 0.09 0.05 0.03 0.08 0.00 0.00 0.00 175.76 176.01 2obx s VAL 47 N 0.79 4.17 -0.19 0.00 1.01 -1.26 -0.33 120.40 124.59 2obx s VAL 47 Ca -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2obx s VAL 47 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2obx s VAL 47 CO 0.02 0.40 -0.03 -1.81 0.00 0.00 0.00 175.10 173.68 2obx s ASP 48 N 1.12 4.60 -0.12 3.32 1.01 -0.13 -4.98 116.67 121.49 2obx s ASP 48 Ca 0.03 -0.25 -0.05 0.00 0.71 0.00 0.00 52.55 52.99 2obx s ASP 48 Cb -0.14 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 2obx s ASP 48 CO 0.02 0.08 0.08 -0.69 0.21 0.00 0.00 175.17 174.87 2obx s VAL 49 N 0.91 5.02 -0.01 -1.27 1.01 -1.26 -0.15 120.40 124.65 2obx s VAL 49 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2obx s VAL 49 Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2obx s VAL 49 CO 0.01 0.59 -0.13 -0.36 0.00 0.00 0.00 175.10 175.22 2obx s PHE 50 N -0.77 1.14 0.03 5.22 0.40 0.19 -4.92 117.98 119.27 2obx s PHE 50 Ca 0.13 -0.23 -0.16 0.00 -0.60 0.00 0.00 56.93 56.07 2obx s PHE 50 Cb -0.12 -0.74 -0.06 0.00 0.51 0.00 0.00 43.02 42.61 2obx s PHE 50 CO 0.03 -0.03 0.47 -0.51 0.70 0.00 0.00 175.22 175.87 2obx s ASP 51 N -0.25 6.89 0.02 1.36 1.11 -1.26 -1.85 116.67 122.70 2obx s ASP 51 Ca 0.04 1.07 0.01 0.00 0.18 0.00 0.00 52.55 53.85 2obx s ASP 51 Cb -0.05 -2.29 -0.02 0.00 1.07 0.00 0.00 42.92 41.63 2obx s ASP 51 CO -0.00 0.30 -0.06 -0.69 1.18 0.00 0.00 175.17 175.90 2obx s VAL 52 N -1.11 0.37 0.13 -1.27 1.01 -0.63 -4.93 120.40 113.98 2obx s VAL 52 Ca 0.26 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2obx s VAL 52 Cb -0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2obx s VAL 52 CO 0.16 -0.25 1.69 -0.65 0.00 0.00 0.00 175.10 176.04 2obx h PRO 53 N 5.04 -0.10 -3.47 2.72 0.11 -1.95 -1.85 132.00 132.50 2obx h PRO 53 Ca -0.32 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 2obx h PRO 53 Cb 1.20 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2obx h PRO 53 CO 0.44 -0.06 0.05 0.20 -0.21 0.00 0.00 178.00 178.41 2obx s GLY 54 N -2.59 0.67 0.31 -0.55 0.00 -1.26 -2.59 107.32 101.30 2obx s GLY 54 Ca -0.14 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.71 2obx s GLY 54 CO 0.68 -0.55 1.73 0.00 0.00 0.00 0.00 173.10 174.96 2obx h ALA 55 N 2.09 1.66 -0.33 3.20 0.00 -1.92 -1.59 119.26 122.36 2obx h ALA 55 Ca -0.28 0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2obx h ALA 55 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2obx h ALA 55 CO 0.36 -0.22 0.25 -0.92 0.00 0.00 0.00 179.25 178.72 2obx h TYR 56 N 0.59 0.00 0.00 0.00 3.20 -1.97 -1.52 116.97 117.28 2obx h TYR 56 Ca 0.60 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.47 2obx h TYR 56 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2obx h TYR 56 CO -0.04 0.00 -0.13 0.39 -1.64 0.00 0.00 178.16 176.74 2obx n GLU 57 N -4.30 0.14 -0.07 1.82 4.71 -0.60 -4.38 120.64 117.97 2obx n GLU 57 Ca 0.05 0.10 -0.08 0.00 -0.01 0.00 0.00 57.16 57.22 2obx n GLU 57 Cb 0.43 -1.65 -0.01 0.00 -1.01 0.00 0.00 31.44 29.20 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 0.89 -0.40 -3.67 2.04 -1.37 -2.98 117.51 112.02 2obx h ILE 58 Ca 0.00 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2obx h ILE 58 Cb 0.63 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2obx h ILE 58 CO 0.00 0.03 -0.00 -0.65 0.00 0.00 0.00 178.15 177.53 2obx h PRO 59 N 0.18 0.10 -0.12 2.37 0.11 -1.78 0.13 132.00 132.99 2obx h PRO 59 Ca 0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2obx h PRO 59 Cb 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2obx h PRO 59 CO -0.15 0.07 0.00 1.25 -0.21 0.00 0.00 178.00 178.96 2obx h LEU 60 N 0.10 0.20 -0.40 2.35 5.85 -1.86 -0.73 115.31 120.83 2obx h LEU 60 Ca 0.20 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2obx h LEU 60 Cb 0.28 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2obx h LEU 60 CO -0.33 0.45 0.11 -0.74 -0.34 0.00 0.00 178.44 177.60 2obx h HIS 61 N -0.06 0.20 -0.49 1.25 2.76 -1.35 0.11 115.15 117.57 2obx h HIS 61 Ca 0.03 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2obx h HIS 61 Cb 0.35 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 2obx h HIS 61 CO 0.03 0.06 0.31 0.00 -1.30 0.00 0.00 177.93 177.03 2obx h ALA 62 N 1.28 0.62 -0.12 5.26 0.00 -0.65 -0.75 119.26 124.90 2obx h ALA 62 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2obx h ALA 62 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2obx h ALA 62 CO -0.22 0.03 0.07 -0.09 0.00 0.00 0.00 179.25 179.04 2obx h ARG 63 N 0.62 0.17 -0.70 0.00 2.43 -0.33 0.16 114.38 116.73 2obx h ARG 63 Ca 0.19 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2obx h ARG 63 Cb -0.03 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 2obx h ARG 63 CO -0.06 0.18 0.36 1.15 -1.51 0.00 0.00 179.97 180.08 2obx h THR 64 N 0.11 0.88 0.47 0.20 2.02 -0.58 0.34 112.91 116.34 2obx h THR 64 Ca 0.04 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2obx h THR 64 Cb 0.06 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2obx h THR 64 CO -0.01 0.11 -0.22 -0.07 0.37 0.00 0.00 175.52 175.70 2obx h LEU 65 N 0.63 -0.53 -1.73 2.58 3.38 -0.73 -2.72 115.31 116.19 2obx h LEU 65 Ca 0.34 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.46 2obx h LEU 65 Cb 0.32 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2obx h LEU 65 CO -0.24 -0.29 0.54 0.00 0.09 0.00 0.00 178.44 178.53 2obx h ALA 66 N -0.27 2.37 0.00 1.53 0.00 -0.21 0.72 119.26 123.41 2obx h ALA 66 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2obx h ALA 66 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2obx h ALA 66 CO 0.11 -0.60 0.00 0.39 0.00 0.00 0.00 179.25 179.14 2obx n GLU 67 N -4.43 0.18 0.00 0.00 1.02 0.07 -1.77 120.64 115.72 2obx n GLU 67 Ca 0.16 0.34 0.10 0.00 -0.02 0.00 0.00 57.16 57.73 2obx n GLU 67 Cb 0.69 -1.80 0.45 0.00 -0.02 0.00 0.00 31.44 30.76 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 -2.14 0.55 -1.25 2.62 -2.24 0.25 -4.83 114.28 107.24 2obx n THR 68 Ca 0.03 0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.86 2obx n THR 68 Cb 0.28 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 67.69 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 0.64 0.88 0.28 3.38 0.00 -0.73 -4.81 105.19 104.83 2obx n GLY 69 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2obx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2obx n ARG 70 N -0.53 0.84 -4.99 1.61 1.74 -1.26 -4.91 116.66 109.16 2obx n ARG 70 Ca -0.09 -0.57 -0.28 0.00 -0.77 0.00 0.00 57.85 56.14 2obx n ARG 70 Cb 0.57 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.55 1.94 0.19 -1.55 1.51 -1.26 -4.48 117.35 111.14 2obx s TYR 71 Ca 0.21 -0.54 0.25 0.00 -1.01 0.00 0.00 57.07 55.98 2obx s TYR 71 Cb 0.19 -1.29 1.05 0.00 -0.11 0.00 0.00 41.96 41.79 2obx s TYR 71 CO 0.56 -0.16 1.88 0.78 -1.11 0.00 0.00 175.55 177.50 2obx h GLY 72 N 6.11 0.00 -2.60 0.71 0.00 -0.69 -3.46 103.07 103.13 2obx h GLY 72 Ca -0.33 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.15 2obx h GLY 72 CO 0.48 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.48 2obx s ALA 73 N -3.75 -1.68 -0.01 3.60 0.00 -1.23 -4.45 121.76 114.25 2obx s ALA 73 Ca -0.00 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2obx s ALA 73 Cb 0.11 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 2obx s ALA 73 CO 0.62 -0.95 -0.06 0.08 0.00 0.00 0.00 175.76 175.45 2obx s VAL 74 N -3.28 0.48 -0.08 0.00 1.01 -0.71 -2.08 120.40 115.75 2obx s VAL 74 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2obx s VAL 74 Cb -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2obx s VAL 74 CO -0.01 0.14 -0.12 -0.22 0.00 0.00 0.00 175.10 174.90 2obx s LEU 75 N -0.10 2.86 -0.10 3.92 2.96 0.59 -0.74 118.68 128.07 2obx s LEU 75 Ca 0.02 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2obx s LEU 75 Cb -0.03 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2obx s LEU 75 CO -0.00 0.29 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.32 2obx s GLY 76 N -0.38 1.47 -0.09 7.98 0.00 -0.54 -0.79 107.32 114.97 2obx s GLY 76 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 2obx s GLY 76 CO 0.02 -0.35 0.22 -1.08 0.00 0.00 0.00 173.10 171.90 2obx s THR 77 N 0.12 -0.03 0.11 0.90 -1.32 -0.47 -0.24 115.64 114.72 2obx s THR 77 Ca -0.08 0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.25 2obx s THR 77 Cb -0.15 -0.33 0.08 0.00 -1.51 0.00 0.00 72.50 70.59 2obx s THR 77 CO 0.05 0.04 0.85 0.00 -2.21 0.00 0.00 174.62 173.36 2obx s ALA 78 N 0.87 -1.67 -0.34 11.08 0.00 -0.52 -1.56 121.76 129.62 2obx s ALA 78 Ca -0.06 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2obx s ALA 78 Cb -0.08 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.74 2obx s ALA 78 CO -0.05 -0.86 0.05 0.12 0.00 0.00 0.00 175.76 175.02 2obx s PHE 79 N -3.36 3.53 -0.37 0.00 5.99 -1.26 -1.56 117.98 120.94 2obx s PHE 79 Ca 0.08 -2.49 -0.09 0.00 0.00 0.00 0.00 56.93 54.42 2obx s PHE 79 Cb -0.02 -2.66 0.04 0.00 0.00 0.00 0.00 43.02 40.38 2obx s PHE 79 CO -0.04 -0.91 0.19 0.08 -0.00 0.00 0.00 175.22 174.54 2obx s VAL 80 N 1.07 4.30 0.34 3.12 1.01 -0.18 -4.86 120.40 125.20 2obx s VAL 80 Ca 0.03 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2obx s VAL 80 Cb -0.20 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2obx s VAL 80 CO -0.05 -0.28 0.05 0.68 0.00 0.00 0.00 175.10 175.50 2obx s VAL 81 N 1.49 1.33 -0.54 2.92 -7.23 -1.26 -3.99 120.40 113.11 2obx s VAL 81 Ca 0.01 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.97 2obx s VAL 81 Cb -0.20 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 33.97 2obx s VAL 81 CO 0.05 0.00 0.74 0.21 -0.31 0.00 0.00 175.10 175.79 2obx s ASN 82 N -3.53 6.25 0.00 4.85 3.84 -1.26 -4.67 114.94 120.41 2obx s ASN 82 Ca 0.36 -0.81 0.22 0.00 0.21 0.00 0.00 52.86 52.84 2obx s ASN 82 Cb 0.09 -2.34 1.21 0.00 -0.55 0.00 0.00 41.25 39.65 2obx s ASN 82 CO 0.16 -1.04 1.79 0.61 -2.79 0.00 0.00 177.10 175.83 2obx n GLY 83 N 5.18 -0.78 1.94 1.21 0.00 -1.26 -4.72 105.19 106.76 2obx n GLY 83 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.89 0.77 0.38 -0.02 0.00 -1.26 -4.87 105.19 101.08 2obx n GLY 84 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.32 0.00 -4.44 -0.61 5.41 -1.26 -5.08 119.36 111.06 2obx n ILE 85 Ca 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 2obx n ILE 85 Cb 0.00 -0.86 -0.11 0.00 -0.71 0.00 0.00 39.64 37.96 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 -1.99 2.26 -0.05 1.39 1.51 -1.26 -5.11 117.35 114.11 2obx s TYR 86 Ca 0.00 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2obx s TYR 86 Cb 0.00 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2obx s TYR 86 CO 0.00 0.59 1.03 1.03 -1.11 0.00 0.00 175.55 177.09 2obx s ARG 87 N -3.08 4.47 0.12 -0.62 0.52 -1.26 -4.50 118.95 114.60 2obx s ARG 87 Ca 0.25 1.46 0.23 0.00 -0.52 0.00 0.00 55.73 57.14 2obx s ARG 87 Cb -0.06 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 2obx s ARG 87 CO 0.12 -0.22 0.93 -2.39 0.02 0.00 0.00 175.30 173.75 2obx n HIS 88 N 4.53 0.59 -0.18 -0.53 1.44 -1.26 -4.61 115.22 115.21 2obx n HIS 88 Ca 0.08 0.17 -0.11 0.00 -2.01 0.00 0.00 57.72 55.85 2obx n HIS 88 Cb 0.49 -0.74 -0.07 0.00 0.12 0.00 0.00 29.99 29.79 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 -0.30 -0.45 -1.40 3.07 -1.93 -2.17 114.58 111.39 2obx h GLU 89 Ca 0.00 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.95 2obx h GLU 89 Cb 0.93 0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.82 2obx h GLU 89 CO 0.00 -0.20 -0.43 0.74 -1.40 0.00 0.00 179.01 177.72 2obx h PHE 90 N -0.31 -1.27 0.49 4.33 -1.00 -1.98 0.50 116.94 117.70 2obx h PHE 90 Ca 0.12 0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 2obx h PHE 90 Cb 0.57 0.62 -0.00 0.00 3.61 0.00 0.00 35.95 40.75 2obx h PHE 90 CO -0.73 -0.44 -0.29 0.28 -1.61 0.00 0.00 178.31 175.52 2obx h VAL 91 N -0.30 0.40 -0.85 -0.55 2.07 -1.82 0.88 116.25 116.08 2obx h VAL 91 Ca 0.15 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.85 2obx h VAL 91 Cb 0.58 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 2obx h VAL 91 CO -0.61 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.37 2obx h ALA 92 N -0.28 1.30 -0.16 1.67 0.00 -0.87 0.10 119.26 121.02 2obx h ALA 92 Ca -0.06 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2obx h ALA 92 Cb 0.60 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2obx h ALA 92 CO 0.07 -0.23 -0.08 1.03 0.00 0.00 0.00 179.25 180.03 2obx h SER 93 N 0.48 0.35 -0.18 0.00 0.87 0.64 -1.56 113.55 114.15 2obx h SER 93 Ca 0.50 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2obx h SER 93 Cb 0.83 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2obx h SER 93 CO -0.45 0.69 0.12 0.00 -0.53 0.00 0.00 176.83 176.66 2obx h ALA 94 N 0.67 2.01 0.06 6.23 0.00 0.20 -1.46 119.26 126.97 2obx h ALA 94 Ca 0.04 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 2obx h ALA 94 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2obx h ALA 94 CO 0.02 -0.04 -1.41 0.28 0.00 0.00 0.00 179.25 178.10 2obx h VAL 95 N 0.12 1.26 -0.24 0.00 2.07 -0.72 -1.24 116.25 117.51 2obx h VAL 95 Ca 0.08 -2.97 -0.19 0.00 0.82 0.00 0.00 66.70 64.44 2obx h VAL 95 Cb 0.15 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2obx h VAL 95 CO -0.01 0.80 -0.60 0.40 0.02 0.00 0.00 177.57 178.17 2obx h ILE 96 N 0.03 1.28 -0.17 4.57 5.03 -0.93 -1.62 117.51 125.71 2obx h ILE 96 Ca -0.18 -1.80 -0.17 0.00 -0.12 0.00 0.00 64.86 62.59 2obx h ILE 96 Cb 1.94 1.73 -0.00 0.00 -3.03 0.00 0.00 36.82 37.46 2obx h ILE 96 CO 0.14 0.58 -0.60 0.44 -0.68 0.00 0.00 178.15 178.03 2obx h ASP 97 N 0.61 0.62 -0.29 1.72 3.32 -1.39 -2.98 116.42 118.03 2obx h ASP 97 Ca -0.00 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.74 2obx h ASP 97 Cb 1.21 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2obx h ASP 97 CO 0.13 1.08 0.05 1.23 -1.72 0.00 0.00 179.24 180.01 2obx h GLY 98 N 1.06 0.32 1.44 2.75 0.00 -1.06 0.85 103.07 108.43 2obx h GLY 98 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2obx h GLY 98 CO 0.11 -0.02 0.04 -0.33 0.00 0.00 0.00 176.54 176.34 2obx h MET 99 N 0.15 0.70 -0.05 4.80 2.86 -1.31 -1.15 114.93 120.92 2obx h MET 99 Ca 0.13 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2obx h MET 99 Cb 0.15 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2obx h MET 99 CO -0.18 0.68 0.03 1.98 1.06 0.00 0.00 176.91 180.48 2obx h MET 100 N 0.66 0.07 -0.35 1.72 -1.53 -1.21 -2.12 114.93 112.16 2obx h MET 100 Ca 0.14 -0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.47 2obx h MET 100 Cb 0.35 -0.02 -0.08 0.00 -0.55 0.00 0.00 31.60 31.30 2obx h MET 100 CO 0.01 0.06 -0.26 -0.97 0.14 0.00 0.00 176.91 175.89 2obx h ASN 101 N 0.06 -0.85 -0.65 1.39 -0.73 -0.24 -0.85 115.58 113.70 2obx h ASN 101 Ca 0.02 0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 2obx h ASN 101 Cb 0.01 0.42 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 2obx h ASN 101 CO -0.00 -0.28 0.28 0.58 -0.37 0.00 0.00 177.43 177.63 2obx h VAL 102 N -0.21 1.23 -0.05 2.57 2.07 -1.06 -2.53 116.25 118.27 2obx h VAL 102 Ca 0.17 -0.70 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 2obx h VAL 102 Cb 0.48 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2obx h VAL 102 CO -0.48 0.28 -0.68 0.06 0.02 0.00 0.00 177.57 176.78 2obx h GLN 103 N 0.91 0.22 -0.27 1.57 3.07 -1.02 0.31 115.11 119.90 2obx h GLN 103 Ca 0.22 -0.17 -0.13 0.00 0.09 0.00 0.00 58.65 58.65 2obx h GLN 103 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 2obx h GLN 103 CO -0.02 0.81 -0.39 -0.07 0.09 0.00 0.00 178.83 179.26 2obx h LEU 104 N 0.16 0.66 0.16 0.06 3.38 -1.11 -1.20 115.31 117.41 2obx h LEU 104 Ca -0.02 -0.29 -0.33 0.00 0.09 0.00 0.00 57.88 57.33 2obx h LEU 104 Cb 1.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2obx h LEU 104 CO 0.10 0.98 -1.67 0.77 0.09 0.00 0.00 178.44 178.71 2obx h SER 105 N 0.52 0.51 1.43 -0.43 4.64 -1.38 -3.35 113.55 115.49 2obx h SER 105 Ca 0.05 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 2obx h SER 105 Cb 0.90 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2obx h SER 105 CO 0.08 1.64 -0.43 0.71 -0.87 0.00 0.00 176.83 177.95 2obx h THR 106 N 0.09 0.00 0.00 2.95 1.35 -1.02 -3.47 112.91 112.81 2obx h THR 106 Ca -0.30 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2obx h THR 106 Cb 2.07 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 2obx h THR 106 CO 0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 2obx n GLY 107 N 1.19 1.68 3.71 5.82 0.00 -0.45 -5.01 105.19 112.13 2obx n GLY 107 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.30 5.22 0.25 1.61 1.01 -1.23 -5.01 120.40 118.94 2obx s VAL 108 Ca 0.00 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 2obx s VAL 108 Cb 0.00 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 2obx s VAL 108 CO 0.00 0.32 1.63 -2.84 0.00 0.00 0.00 175.10 174.21 2obx s PRO 109 N 0.77 4.14 -0.23 2.72 0.02 -1.26 -4.31 135.00 136.84 2obx s PRO 109 Ca 0.22 2.56 0.01 0.00 0.02 0.00 0.00 61.00 63.81 2obx s PRO 109 Cb -0.14 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.38 2obx s PRO 109 CO 0.08 -0.67 -0.07 0.08 -0.33 0.00 0.00 177.00 176.10 2obx s VAL 110 N 0.52 1.61 0.14 3.83 1.01 -1.26 -1.73 120.40 124.52 2obx s VAL 110 Ca 0.68 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2obx s VAL 110 Cb -0.48 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 2obx s VAL 110 CO 0.41 -0.04 0.62 -0.76 0.00 0.00 0.00 175.10 175.33 2obx s LEU 111 N 1.37 4.43 -0.19 3.92 1.02 0.08 -4.94 118.68 124.37 2obx s LEU 111 Ca -0.05 1.28 -0.07 0.00 0.02 0.00 0.00 54.13 55.31 2obx s LEU 111 Cb -0.18 -3.23 -0.04 0.00 0.02 0.00 0.00 46.19 42.76 2obx s LEU 111 CO -0.06 0.15 0.06 -0.55 0.02 0.00 0.00 176.35 175.97 2obx s SER 112 N -1.44 5.53 -0.27 2.29 0.15 -1.26 -1.47 113.70 117.22 2obx s SER 112 Ca 0.36 0.03 0.19 0.00 0.70 0.00 0.00 55.95 57.23 2obx s SER 112 Cb -0.18 -1.95 0.50 0.00 -1.71 0.00 0.00 66.02 62.67 2obx s SER 112 CO 0.20 0.14 1.12 0.00 1.20 0.00 0.00 173.24 175.90 2obx n ALA 113 N 3.76 3.17 -3.36 5.45 0.00 0.67 -4.96 120.51 125.24 2obx n ALA 113 Ca -0.16 -3.01 -0.43 0.00 0.00 0.00 0.00 53.44 49.84 2obx n ALA 113 Cb 0.52 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.96 4.63 0.04 0.00 1.01 -1.24 -1.44 120.40 119.44 2obx s VAL 114 Ca 0.32 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.77 2obx s VAL 114 Cb 0.35 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2obx s VAL 114 CO -0.02 -0.74 0.01 -0.76 0.00 0.00 0.00 175.10 173.58 2obx s LEU 115 N 1.47 3.52 -0.18 3.92 2.01 -0.60 -4.92 118.68 123.91 2obx s LEU 115 Ca 0.04 -0.08 -0.00 0.00 0.01 0.00 0.00 54.13 54.10 2obx s LEU 115 Cb -0.27 -2.14 0.04 0.00 0.01 0.00 0.00 46.19 43.84 2obx s LEU 115 CO 0.02 0.23 -0.05 -0.89 1.01 0.00 0.00 176.35 176.66 2obx s THR 116 N -1.21 1.17 0.59 5.49 2.01 -1.26 -1.01 115.64 121.42 2obx s THR 116 Ca 0.23 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 2obx s THR 116 Cb -0.12 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 2obx s THR 116 CO 0.15 0.09 1.01 -2.16 -0.69 0.00 0.00 174.62 173.02 2obx s PRO 117 N 1.60 3.68 0.20 4.92 0.04 -1.26 -4.96 135.00 139.22 2obx s PRO 117 Ca -0.00 0.79 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 2obx s PRO 117 Cb -0.16 -2.10 0.11 0.00 0.04 0.00 0.00 34.50 32.39 2obx s PRO 117 CO -0.08 -0.49 1.70 0.45 0.04 0.00 0.00 177.00 178.63 2obx h HIS 118 N -0.00 1.20 -3.46 0.56 3.86 -2.00 -3.45 115.15 111.85 2obx h HIS 118 Ca -0.45 -0.16 -0.19 0.00 -1.16 0.00 0.00 60.37 58.41 2obx h HIS 118 Cb 1.19 -0.33 -0.26 0.00 1.06 0.00 0.00 27.41 29.07 2obx h HIS 118 CO 0.65 0.99 -0.57 -0.80 0.86 0.00 0.00 177.93 179.06 2obx s ASN 119 N -6.49 -0.10 -0.30 2.45 -0.87 -1.26 -4.98 114.94 103.39 2obx s ASN 119 Ca -0.12 0.18 -0.03 0.00 -1.57 0.00 0.00 52.86 51.32 2obx s ASN 119 Cb 0.15 0.24 0.18 0.00 -0.02 0.00 0.00 41.25 41.80 2obx s ASN 119 CO 0.85 -0.08 0.64 -0.47 -2.57 0.00 0.00 177.10 175.47 2obx s TYR 120 N -0.12 -1.50 -0.19 2.20 5.04 -1.26 -5.06 117.35 116.46 2obx s TYR 120 Ca -0.02 1.68 0.15 0.00 -2.44 0.00 0.00 57.07 56.45 2obx s TYR 120 Cb -0.02 0.56 0.42 0.00 0.35 0.00 0.00 41.96 43.27 2obx s TYR 120 CO 0.00 -0.82 1.29 0.72 -1.34 0.00 0.00 175.55 175.41 2obx n HIS 121 N 5.43 0.46 -3.32 4.97 8.25 -1.26 -4.77 115.22 124.98 2obx n HIS 121 Ca -0.02 -1.16 -0.24 0.00 -0.26 0.00 0.00 57.72 56.04 2obx n HIS 121 Cb 0.51 -0.27 0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.08 -5.59 -4.65 0.41 8.00 -1.26 -4.97 116.55 107.41 2obx n ASP 122 Ca 0.21 -0.42 -0.27 0.00 0.71 0.00 0.00 54.79 55.02 2obx n ASP 122 Cb 0.79 -4.50 -0.08 0.00 -0.02 0.00 0.00 41.12 37.31 2obx n ASP 122 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2obx s SER 123 N -2.91 4.70 0.17 -2.24 1.04 -1.26 -4.98 113.70 108.23 2obx s SER 123 Ca 0.43 -0.41 -0.18 0.00 0.48 0.00 0.00 55.95 56.27 2obx s SER 123 Cb -0.20 -0.98 0.11 0.00 0.10 0.00 0.00 66.02 65.06 2obx s SER 123 CO 0.53 0.10 1.64 0.00 0.98 0.00 0.00 173.24 176.49 2obx h ALA 124 N 2.78 0.19 -0.48 5.32 0.00 -1.99 -1.50 119.26 123.59 2obx h ALA 124 Ca -0.47 0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.69 2obx h ALA 124 Cb 1.20 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 2obx h ALA 124 CO 0.57 -0.51 -0.32 0.93 0.00 0.00 0.00 179.25 179.93 2obx h GLU 125 N -0.07 -0.20 0.08 0.00 3.07 -1.99 0.14 114.58 115.62 2obx h GLU 125 Ca 0.21 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2obx h GLU 125 Cb 0.39 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2obx h GLU 125 CO -0.48 -0.13 -0.04 0.45 -1.40 0.00 0.00 179.01 177.42 2obx h HIS 126 N -0.20 -0.10 -0.06 4.33 3.86 -1.81 -1.11 115.15 120.05 2obx h HIS 126 Ca 0.20 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2obx h HIS 126 Cb 0.53 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 2obx h HIS 126 CO -0.57 0.05 -0.13 1.25 0.86 0.00 0.00 177.93 179.39 2obx h HIS 127 N -0.23 -0.34 -0.52 2.45 6.17 -0.79 -1.92 115.15 119.97 2obx h HIS 127 Ca -0.01 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2obx h HIS 127 Cb 0.19 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.26 2obx h HIS 127 CO -0.03 -0.20 0.34 -0.09 0.71 0.00 0.00 177.93 178.66 2obx h ARG 128 N -0.19 0.68 0.34 5.26 2.43 -0.72 0.11 114.38 122.28 2obx h ARG 128 Ca 0.07 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2obx h ARG 128 Cb 0.29 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2obx h ARG 128 CO -0.18 0.46 -0.36 0.35 -1.51 0.00 0.00 179.97 178.73 2obx h PHE 129 N 0.70 -0.97 0.00 2.20 3.57 -0.83 -1.69 116.94 119.92 2obx h PHE 129 Ca 0.19 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 2obx h PHE 129 Cb -0.07 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2obx h PHE 129 CO -0.04 -0.50 -0.51 0.74 -2.23 0.00 0.00 178.31 175.77 2obx h PHE 130 N -0.73 0.00 -0.84 0.41 -1.00 -1.29 0.90 116.94 114.40 2obx h PHE 130 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2obx h PHE 130 Cb 0.66 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.18 2obx h PHE 130 CO -0.22 0.51 0.50 0.35 -1.61 0.00 0.00 178.31 177.84 2obx h PHE 131 N 0.00 1.11 -0.05 -0.55 3.57 -0.61 -1.27 116.94 119.13 2obx h PHE 131 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2obx h PHE 131 Cb 0.90 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 39.29 2obx h PHE 131 CO 0.00 0.75 -0.42 0.93 -2.23 0.00 0.00 178.31 177.34 2obx h GLU 132 N 1.15 0.38 -0.13 1.11 5.08 -0.90 -3.34 114.58 117.93 2obx h GLU 132 Ca 0.30 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2obx h GLU 132 Cb -0.04 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2obx h GLU 132 CO -0.06 0.99 -0.29 1.25 -1.00 0.00 0.00 179.01 179.90 2obx h HIS 133 N -0.12 0.28 -0.37 4.33 2.76 -0.67 -3.19 115.15 118.17 2obx h HIS 133 Ca -0.04 -0.06 0.07 0.00 -2.20 0.00 0.00 60.37 58.15 2obx h HIS 133 Cb 1.09 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 2obx h HIS 133 CO 0.13 0.52 0.25 0.74 -1.30 0.00 0.00 177.93 178.28 2obx h PHE 134 N 0.22 0.19 0.00 5.26 -1.00 -1.35 0.16 116.94 120.42 2obx h PHE 134 Ca 0.03 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 2obx h PHE 134 Cb 0.63 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 2obx h PHE 134 CO 0.01 0.10 -0.18 1.79 -1.61 0.00 0.00 178.31 178.42 2obx h THR 135 N 0.18 1.08 -0.26 -1.55 1.35 -1.70 -0.64 112.91 111.36 2obx h THR 135 Ca 0.17 -0.61 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 2obx h THR 135 Cb 0.43 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2obx h THR 135 CO -0.03 0.17 -0.03 0.58 -0.25 0.00 0.00 175.52 175.97 2obx h VAL 136 N 0.00 1.27 -0.27 6.82 2.07 -0.86 -2.10 116.25 123.17 2obx h VAL 136 Ca -0.00 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2obx h VAL 136 Cb 0.32 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2obx h VAL 136 CO 0.02 0.31 -0.06 0.11 0.02 0.00 0.00 177.57 177.98 2obx h LYS 137 N 0.25 0.43 -0.54 1.57 1.79 -1.10 -1.99 116.57 116.99 2obx h LYS 137 Ca 0.07 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 2obx h LYS 137 Cb 0.47 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2obx h LYS 137 CO 0.02 0.50 -0.13 0.78 -1.08 0.00 0.00 179.45 179.55 2obx h GLY 138 N 0.81 1.11 0.94 3.86 0.00 -1.02 -1.34 103.07 107.44 2obx h GLY 138 Ca 0.09 -0.91 0.01 0.00 0.00 0.00 0.00 47.33 46.52 2obx h GLY 138 CO 0.02 0.83 0.26 1.70 0.00 0.00 0.00 176.54 179.35 2obx h LYS 139 N 0.91 0.51 -0.14 4.80 3.64 -0.94 -0.36 116.57 124.99 2obx h LYS 139 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2obx h LYS 139 Cb 0.70 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2obx h LYS 139 CO 0.05 0.34 0.08 0.93 -2.27 0.00 0.00 179.45 178.58 2obx h GLU 140 N 0.53 0.20 -0.57 1.90 5.08 -1.14 -1.88 114.58 118.70 2obx h GLU 140 Ca 0.16 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2obx h GLU 140 Cb -0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2obx h GLU 140 CO -0.06 0.21 0.38 0.00 -1.00 0.00 0.00 179.01 178.54 2obx h ALA 141 N 0.98 1.66 -0.41 3.43 0.00 -0.97 0.36 119.26 124.31 2obx h ALA 141 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2obx h ALA 141 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2obx h ALA 141 CO -0.01 0.29 0.03 0.00 0.00 0.00 0.00 179.25 179.56 2obx h ALA 142 N 1.66 0.55 -0.43 0.00 0.00 -0.68 0.29 119.26 120.65 2obx h ALA 142 Ca 0.22 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2obx h ALA 142 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2obx h ALA 142 CO -0.06 0.30 -0.26 0.00 0.00 0.00 0.00 179.25 179.24 2obx h ARG 143 N 0.54 0.94 -0.39 0.00 3.08 -0.49 -1.65 114.38 116.41 2obx h ARG 143 Ca 0.12 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2obx h ARG 143 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2obx h ARG 143 CO 0.02 1.09 0.20 0.00 -1.07 0.00 0.00 179.97 180.21 2obx h ALA 144 N 0.82 0.50 0.07 0.04 0.00 -0.14 0.55 119.26 121.10 2obx h ALA 144 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2obx h ALA 144 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2obx h ALA 144 CO 0.07 0.04 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 2obx h VAL 146 N -0.40 1.00 -0.41 0.00 2.07 -1.14 -2.77 116.25 114.60 2obx h VAL 146 Ca 0.04 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2obx h VAL 146 Cb 0.45 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2obx h VAL 146 CO -0.16 0.04 0.25 -0.33 0.02 0.00 0.00 177.57 177.38 2obx h GLU 147 N 0.20 0.48 -0.62 1.57 5.08 -0.46 -1.77 114.58 119.07 2obx h GLU 147 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2obx h GLU 147 Cb 0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2obx h GLU 147 CO -0.05 0.32 0.35 0.97 -1.00 0.00 0.00 179.01 179.61 2obx h ILE 148 N 0.50 1.19 -0.62 3.13 6.09 -0.40 -1.54 117.51 125.86 2obx h ILE 148 Ca 0.16 -0.47 -0.04 0.00 -1.37 0.00 0.00 64.86 63.14 2obx h ILE 148 Cb 0.00 0.37 -0.03 0.00 0.47 0.00 0.00 36.82 37.63 2obx h ILE 148 CO -0.07 0.21 0.23 -0.07 -3.07 0.00 0.00 178.15 175.37 2obx h LEU 149 N 0.85 0.88 -1.06 2.19 3.38 -1.33 -0.95 115.31 119.27 2obx h LEU 149 Ca 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2obx h LEU 149 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2obx h LEU 149 CO -0.04 0.83 0.42 0.00 0.09 0.00 0.00 178.44 179.75 2obx h ALA 150 N 1.09 1.28 0.15 1.53 0.00 -0.93 -2.43 119.26 119.94 2obx h ALA 150 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2obx h ALA 150 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2obx h ALA 150 CO -0.01 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 2obx h ALA 151 N 1.38 -0.20 -1.07 0.00 0.00 -0.97 -2.70 119.26 115.69 2obx h ALA 151 Ca 0.27 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.29 2obx h ALA 151 Cb 0.03 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2obx h ALA 151 CO -0.04 -0.42 0.73 0.00 0.00 0.00 0.00 179.25 179.51 2obx h ARG 152 N -0.58 0.20 -0.79 0.00 3.08 -1.02 0.81 114.38 116.08 2obx h ARG 152 Ca -0.02 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2obx h ARG 152 Cb 0.44 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2obx h ARG 152 CO 0.03 0.13 0.50 0.93 -1.07 0.00 0.00 179.97 180.49 2obx h GLU 153 N 0.20 0.95 0.00 0.04 4.39 -1.10 -2.15 114.58 116.90 2obx h GLU 153 Ca 0.56 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 2obx h GLU 153 Cb 1.79 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2obx h GLU 153 CO -0.15 0.63 -0.05 0.87 -1.16 0.00 0.00 179.01 179.14 2obx h LYS 154 N 0.97 0.00 -6.20 2.33 1.57 0.72 -3.40 116.57 112.56 2obx h LYS 154 Ca 0.31 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.56 2obx h LYS 154 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2obx h LYS 154 CO -0.11 0.05 1.26 0.42 -0.57 0.00 0.00 179.45 180.50 2obx s ILE 155 N -3.95 3.52 -2.00 1.86 1.01 -0.81 -5.14 121.20 115.70 2obx s ILE 155 Ca -0.02 0.44 0.08 0.00 0.00 0.00 0.00 60.65 61.16 2obx s ILE 155 Cb 0.11 -3.98 0.24 0.00 0.01 0.00 0.00 42.46 38.84 2obx s ILE 155 CO 0.53 -0.81 0.95 0.00 0.00 0.00 0.00 174.94 175.61