#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0g s VAL 2 N 0.00 0.05 0.13 1.12 1.01 -1.26 -0.08 120.40 121.37 1x0g s VAL 2 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1x0g s VAL 2 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1x0g s VAL 2 CO 0.00 -0.22 -0.18 -1.61 0.00 0.00 0.00 175.10 173.09 1x0g s GLU 3 N -0.68 1.15 -0.04 2.72 2.02 0.52 -4.96 118.70 119.44 1x0g s GLU 3 Ca -0.07 -1.28 0.06 0.00 0.02 0.00 0.00 54.97 53.69 1x0g s GLU 3 Cb -0.05 -1.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.95 1x0g s GLU 3 CO 0.00 0.26 -0.22 -0.51 0.02 0.00 0.00 175.26 174.80 1x0g s LEU 4 N -2.37 2.02 0.42 1.80 1.43 -1.26 0.07 118.68 120.78 1x0g s LEU 4 Ca 0.11 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 1x0g s LEU 4 Cb -0.07 -1.21 -0.08 0.00 0.03 0.00 0.00 46.19 44.86 1x0g s LEU 4 CO 0.05 0.23 1.13 0.42 0.23 0.00 0.00 176.35 178.41 1x0g s THR 5 N -0.22 3.30 0.54 5.49 -4.23 -0.16 -4.89 115.64 115.47 1x0g s THR 5 Ca -0.00 1.03 0.39 0.00 -1.18 0.00 0.00 61.69 61.93 1x0g s THR 5 Cb -0.12 -3.55 0.59 0.00 1.34 0.00 0.00 72.50 70.76 1x0g s THR 5 CO 0.02 0.04 1.76 -0.65 -0.54 0.00 0.00 174.62 175.25 1x0g h PRO 6 N 2.43 0.01 -0.26 3.99 0.11 -1.98 0.11 132.00 136.42 1x0g h PRO 6 Ca -0.49 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1x0g h PRO 6 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1x0g h PRO 6 CO 0.62 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 1x0g h ALA 7 N 1.34 0.35 0.02 -0.75 0.00 -1.90 -3.12 119.26 115.20 1x0g h ALA 7 Ca 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1x0g h ALA 7 Cb 2.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1x0g h ALA 7 CO -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.30 1x0g h ALA 8 N 0.82 -0.03 -1.21 0.00 0.00 -1.04 -2.44 119.26 115.36 1x0g h ALA 8 Ca 0.07 -0.02 0.44 0.00 0.00 0.00 0.00 54.91 55.41 1x0g h ALA 8 Cb 0.41 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 1x0g h ALA 8 CO 0.01 -0.51 0.75 -0.89 0.00 0.00 0.00 179.25 178.61 1x0g n ILE 9 N -5.09 -0.29 -0.10 0.00 2.08 -1.03 -0.09 119.36 114.83 1x0g n ILE 9 Ca -0.07 1.80 -0.11 0.00 0.56 0.00 0.00 62.75 64.93 1x0g n ILE 9 Cb 0.05 -2.95 -0.16 0.00 -0.75 0.00 0.00 39.64 35.84 1x0g n ILE 9 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1x0g n GLN 10 N -4.80 0.69 0.08 0.38 7.27 -0.95 -2.07 117.38 117.97 1x0g n GLN 10 Ca 0.38 0.01 0.15 0.00 0.07 0.00 0.00 57.00 57.61 1x0g n GLN 10 Cb 1.43 -1.53 0.66 0.00 2.41 0.00 0.00 30.24 33.21 1x0g n GLN 10 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1x0g h GLU 11 N 0.00 0.03 0.00 3.69 4.57 -1.10 -1.84 114.58 119.93 1x0g h GLU 11 Ca -0.55 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1x0g h GLU 11 Cb 2.22 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.80 1x0g h GLU 11 CO 0.02 0.02 0.00 1.28 -1.18 0.00 0.00 179.01 179.16 1x0g n LEU 12 N -4.44 0.00 -4.49 1.64 4.77 0.87 -4.03 117.00 111.32 1x0g n LEU 12 Ca 0.05 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 56.03 1x0g n LEU 12 Cb 0.41 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1x0g n LEU 12 CO 0.36 -0.12 0.25 -1.61 -1.33 0.00 0.00 177.39 174.94 1x0g s GLU 13 N -2.85 3.17 0.00 3.23 2.02 -0.69 -2.99 118.70 120.59 1x0g s GLU 13 Ca 0.14 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1x0g s GLU 13 Cb 0.14 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1x0g s GLU 13 CO 0.37 -0.98 0.00 -2.13 0.02 0.00 0.00 175.26 172.54 1x0g n ARG 14 N 5.95 0.00 -0.37 1.61 3.00 -1.26 -4.87 116.66 120.73 1x0g n ARG 14 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 1x0g n ARG 14 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.92 1x0g n ARG 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1x0g n LEU 15 N 0.00 2.46 0.00 6.15 4.77 -1.16 -5.18 117.00 124.03 1x0g n LEU 15 Ca 0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 1x0g n LEU 15 Cb 0.00 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1x0g n LEU 15 CO 0.00 -0.28 0.00 0.00 -1.33 0.00 0.00 177.39 175.78 1x0g n GLN 16 N 4.51 0.00 0.00 3.23 6.02 -1.26 -5.22 117.38 124.65 1x0g n GLN 16 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1x0g n GLN 16 Cb 0.08 -3.15 0.00 0.00 1.02 0.00 0.00 30.24 28.18 1x0g n GLN 16 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1x0g n ILE 27 N -0.91 0.00 -5.19 5.09 -0.00 -1.26 -5.15 119.36 111.94 1x0g n ILE 27 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.44 1x0g n ILE 27 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 39.49 1x0g n ILE 27 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1x0g s LEU 28 N 0.00 2.13 -0.21 1.39 2.96 0.67 -1.61 118.68 124.02 1x0g s LEU 28 Ca 0.00 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1x0g s LEU 28 Cb 0.00 -1.35 0.05 0.00 0.50 0.00 0.00 46.19 45.40 1x0g s LEU 28 CO 0.00 0.31 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.68 1x0g s ARG 29 N -0.76 1.57 -0.20 1.98 3.52 -0.08 0.11 118.95 125.09 1x0g s ARG 29 Ca 0.11 -0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 54.81 1x0g s ARG 29 Cb -0.10 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.87 1x0g s ARG 29 CO -0.00 -0.53 0.15 0.42 -0.81 0.00 0.00 175.30 174.54 1x0g s ILE 30 N 1.50 5.39 0.18 4.11 1.01 0.31 -1.72 121.20 131.98 1x0g s ILE 30 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1x0g s ILE 30 Cb -0.17 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 1x0g s ILE 30 CO -0.07 0.42 0.21 0.00 0.00 0.00 0.00 174.94 175.50 1x0g n GLN 31 N 3.60 0.30 -4.32 2.79 10.64 -0.96 -2.06 117.38 127.37 1x0g n GLN 31 Ca -0.15 -1.59 -0.19 0.00 -1.83 0.00 0.00 57.00 53.23 1x0g n GLN 31 Cb 0.52 1.42 -0.10 0.00 -0.86 0.00 0.00 30.24 31.22 1x0g n GLN 31 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1x0g s VAL 32 N -2.66 1.68 0.05 -0.39 -7.23 -1.26 -0.15 120.40 110.44 1x0g s VAL 32 Ca 0.18 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1x0g s VAL 32 Cb 0.00 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1x0g s VAL 32 CO 0.13 -0.50 -0.04 0.00 -0.31 0.00 0.00 175.10 174.37 1x0g s GLN 33 N -3.29 0.56 0.49 4.82 -2.07 0.84 -4.84 119.66 116.18 1x0g s GLN 33 Ca 0.19 -1.01 -0.23 0.00 -1.82 0.00 0.00 55.36 52.48 1x0g s GLN 33 Cb -0.03 0.02 -0.07 0.00 -1.09 0.00 0.00 33.01 31.84 1x0g s GLN 33 CO 0.06 -0.05 1.30 -2.30 -1.32 0.00 0.00 175.29 172.98 1x0g n PRO 34 N 0.69 1.78 -4.00 9.60 -0.02 -1.26 -0.27 135.00 141.51 1x0g n PRO 34 Ca -0.18 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 61.87 1x0g n PRO 34 Cb 0.58 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1x0g n PRO 34 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1x0g s SER 35 N -0.74 0.32 0.02 2.55 1.04 -0.47 -4.67 113.70 111.74 1x0g s SER 35 Ca 0.67 -0.75 -0.26 0.00 0.48 0.00 0.00 55.95 56.09 1x0g s SER 35 Cb -0.46 0.21 -0.14 0.00 0.10 0.00 0.00 66.02 65.73 1x0g s SER 35 CO 0.53 -0.54 1.15 -0.33 0.98 0.00 0.00 173.24 175.03 1x0g h GLU 36 N 3.50 -0.91 -6.70 4.02 4.39 -1.94 -3.40 114.58 113.55 1x0g h GLU 36 Ca -0.33 0.06 -0.52 0.00 0.34 0.00 0.00 59.36 58.91 1x0g h GLU 36 Cb 1.17 0.21 0.07 0.00 -0.10 0.00 0.00 28.75 30.09 1x0g h GLU 36 CO 0.56 -0.60 0.99 0.00 -1.16 0.00 0.00 179.01 178.80 1x0g n GLY 38 N 3.53 0.50 0.16 0.00 0.00 -1.26 -4.48 105.19 103.63 1x0g n GLY 38 Ca 0.14 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1x0g n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x0g n ASP 39 N -1.95 2.60 -4.10 1.61 9.92 0.24 -4.66 116.55 120.20 1x0g n ASP 39 Ca 0.00 -0.03 -0.23 0.00 -0.53 0.00 0.00 54.79 54.00 1x0g n ASP 39 Cb 0.00 -0.25 -0.15 0.00 -0.64 0.00 0.00 41.12 40.08 1x0g n ASP 39 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x0g s TRP 40 N -2.27 1.32 -0.08 1.24 0.52 -0.12 -1.37 118.94 118.19 1x0g s TRP 40 Ca -0.19 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 55.69 1x0g s TRP 40 Cb 0.05 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.49 1x0g s TRP 40 CO 0.30 -0.06 -0.18 0.50 0.02 0.00 0.00 176.95 177.53 1x0g s ARG 41 N -0.21 2.80 0.41 4.98 3.52 0.62 -0.25 118.95 130.83 1x0g s ARG 41 Ca 0.03 -0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 54.59 1x0g s ARG 41 Cb -0.07 -2.37 -0.10 0.00 -1.56 0.00 0.00 34.95 30.85 1x0g s ARG 41 CO 0.00 0.40 1.40 0.66 -0.81 0.00 0.00 175.30 176.94 1x0g n TYR 42 N 2.95 2.61 -4.82 5.12 4.02 -0.97 -0.12 117.16 125.95 1x0g n TYR 42 Ca -0.18 0.47 -0.31 0.00 -0.01 0.00 0.00 57.90 57.87 1x0g n TYR 42 Cb 0.52 -2.46 -0.17 0.00 -0.02 0.00 0.00 39.34 37.22 1x0g n TYR 42 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1x0g s ASP 43 N -0.36 2.90 -0.14 7.72 2.15 0.79 -4.77 116.67 124.96 1x0g s ASP 43 Ca 0.58 -0.54 0.01 0.00 0.43 0.00 0.00 52.55 53.03 1x0g s ASP 43 Cb -0.49 -1.33 0.02 0.00 -0.30 0.00 0.00 42.92 40.82 1x0g s ASP 43 CO 0.60 0.09 -0.17 -0.76 -0.17 0.00 0.00 175.17 174.77 1x0g s LEU 44 N 0.67 1.83 0.09 -1.34 1.43 -1.26 -2.26 118.68 117.83 1x0g s LEU 44 Ca -0.12 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1x0g s LEU 44 Cb -0.16 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1x0g s LEU 44 CO 0.02 0.00 -0.14 0.00 0.23 0.00 0.00 176.35 176.46 1x0g s ALA 45 N 1.16 1.29 -0.16 4.21 0.00 -0.70 -4.98 121.76 122.58 1x0g s ALA 45 Ca -0.01 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1x0g s ALA 45 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1x0g s ALA 45 CO -0.06 0.14 0.52 -0.51 0.00 0.00 0.00 175.76 175.85 1x0g s LEU 46 N -2.02 4.20 0.06 0.00 1.43 -1.26 -0.90 118.68 120.19 1x0g s LEU 46 Ca 0.02 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1x0g s LEU 46 Cb -0.08 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1x0g s LEU 46 CO 0.02 -0.12 -0.10 0.68 0.23 0.00 0.00 176.35 177.07 1x0g s VAL 47 N 1.24 0.75 0.31 -1.59 -7.23 -0.63 -4.99 120.40 108.27 1x0g s VAL 47 Ca 0.26 -1.26 0.12 0.00 -1.81 0.00 0.00 61.98 59.29 1x0g s VAL 47 Cb -0.15 -0.89 0.04 0.00 0.56 0.00 0.00 36.38 35.94 1x0g s VAL 47 CO 0.10 -0.39 1.73 0.00 -0.31 0.00 0.00 175.10 176.23 1x0g h ALA 48 N 4.24 1.17 -2.40 1.32 0.00 -1.98 -3.40 119.26 118.21 1x0g h ALA 48 Ca -0.37 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.00 1x0g h ALA 48 Cb 1.20 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.70 1x0g h ALA 48 CO 0.43 0.60 -0.11 -2.00 0.00 0.00 0.00 179.25 178.17 1x0g s GLU 49 N -3.88 0.73 0.28 0.00 2.12 -1.26 -5.02 118.70 111.67 1x0g s GLU 49 Ca -0.02 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.24 1x0g s GLU 49 Cb 0.13 0.34 -0.09 0.00 0.26 0.00 0.00 34.13 34.77 1x0g s GLU 49 CO 0.74 -0.18 1.05 -1.25 -0.54 0.00 0.00 175.26 175.07 1x0g s PRO 50 N -0.75 4.67 0.42 4.30 0.04 -1.26 -5.00 135.00 137.40 1x0g s PRO 50 Ca -0.08 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 1x0g s PRO 50 Cb -0.03 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.22 1x0g s PRO 50 CO 0.04 0.28 0.50 1.17 0.04 0.00 0.00 177.00 179.03 1x0g n LYS 51 N 1.17 0.51 0.29 4.56 4.81 -1.26 -4.81 118.16 123.43 1x0g n LYS 51 Ca -0.01 0.19 0.15 0.00 -0.87 0.00 0.00 58.31 57.77 1x0g n LYS 51 Cb 0.46 -1.45 0.89 0.00 0.02 0.00 0.00 35.03 34.95 1x0g n LYS 51 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1x0g h PRO 52 N 0.76 0.00 -0.70 1.64 0.11 -2.03 -2.68 132.00 129.09 1x0g h PRO 52 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1x0g h PRO 52 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1x0g h PRO 52 CO 0.51 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 1x0g n THR 53 N -3.67 1.02 -1.61 -1.15 -2.24 -1.26 -4.99 114.28 100.38 1x0g n THR 53 Ca -0.03 -1.00 -0.35 0.00 -2.27 0.00 0.00 64.05 60.40 1x0g n THR 53 Cb 0.13 0.49 0.07 0.00 -2.10 0.00 0.00 70.33 68.93 1x0g n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x0g s ASP 54 N -1.00 4.52 -0.45 3.42 1.01 -1.01 -4.17 116.67 118.98 1x0g s ASP 54 Ca 0.47 2.36 -0.18 0.00 0.71 0.00 0.00 52.55 55.90 1x0g s ASP 54 Cb 0.25 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1x0g s ASP 54 CO 0.32 -2.05 0.51 -0.76 0.21 0.00 0.00 175.17 173.40 1x0g s LEU 55 N -4.83 4.87 0.06 1.23 1.43 0.31 -4.86 118.68 116.89 1x0g s LEU 55 Ca 0.75 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1x0g s LEU 55 Cb -0.29 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 1x0g s LEU 55 CO 0.42 -0.69 0.48 -0.76 0.23 0.00 0.00 176.35 176.03 1x0g s LEU 56 N 2.33 4.44 -0.02 1.79 1.43 -1.25 -1.31 118.68 126.09 1x0g s LEU 56 Ca 0.14 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1x0g s LEU 56 Cb -0.17 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1x0g s LEU 56 CO 0.14 0.24 -0.04 0.42 0.23 0.00 0.00 176.35 177.33 1x0g s THR 57 N -1.23 0.40 0.65 5.49 -4.23 -0.03 -4.92 115.64 111.76 1x0g s THR 57 Ca 0.30 -0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 1x0g s THR 57 Cb -0.16 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 1x0g s THR 57 CO 0.17 0.15 1.05 -1.58 -0.54 0.00 0.00 174.62 173.86 1x0g s GLN 58 N 0.32 3.20 0.00 3.99 2.00 -1.26 -0.40 119.66 127.51 1x0g s GLN 58 Ca -0.03 0.96 0.00 0.00 -2.00 0.00 0.00 55.36 54.29 1x0g s GLN 58 Cb -0.07 -2.03 0.00 0.00 0.80 0.00 0.00 33.01 31.71 1x0g s GLN 58 CO -0.00 -0.89 0.00 -1.13 -0.50 0.00 0.00 175.29 172.77 1x0g n SER 59 N -2.74 0.00 -1.09 6.67 3.41 -1.10 -4.93 113.62 113.84 1x0g n SER 59 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1x0g n SER 59 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1x0g n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x0g n GLN 60 N 0.00 0.00 -1.97 4.33 6.02 -1.26 -4.26 117.38 120.24 1x0g n GLN 60 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1x0g n GLN 60 Cb 0.00 -2.21 -0.01 0.00 1.02 0.00 0.00 30.24 29.03 1x0g n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x0g n GLY 61 N -1.09 -0.04 3.54 1.08 0.00 -1.26 -4.97 105.19 102.46 1x0g n GLY 61 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x0g n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x0g s TRP 62 N -2.05 2.76 -0.06 1.61 0.52 -1.26 -4.99 118.94 115.47 1x0g s TRP 62 Ca 0.00 -0.13 -0.11 0.00 0.02 0.00 0.00 56.10 55.89 1x0g s TRP 62 Cb 0.00 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.73 1x0g s TRP 62 CO 0.00 0.33 0.27 0.99 0.02 0.00 0.00 176.95 178.56 1x0g s THR 63 N -0.99 5.28 -0.19 2.01 2.01 -1.26 -2.73 115.64 119.78 1x0g s THR 63 Ca 0.17 0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 1x0g s THR 63 Cb -0.11 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1x0g s THR 63 CO 0.07 0.60 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.82 1x0g s ILE 64 N -1.06 2.51 -0.46 1.82 -1.09 0.46 -0.24 121.20 123.15 1x0g s ILE 64 Ca 0.19 -0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 57.72 1x0g s ILE 64 Cb -0.14 -2.08 0.10 0.00 -1.58 0.00 0.00 42.46 38.76 1x0g s ILE 64 CO 0.08 0.50 0.33 0.00 -1.23 0.00 0.00 174.94 174.62 1x0g s ALA 65 N 1.28 3.38 -0.19 9.38 0.00 0.30 -0.85 121.76 135.06 1x0g s ALA 65 Ca 0.04 -2.36 -0.18 0.00 0.00 0.00 0.00 51.96 49.46 1x0g s ALA 65 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1x0g s ALA 65 CO -0.08 -1.80 0.49 0.42 0.00 0.00 0.00 175.76 174.78 1x0g s ILE 66 N 1.42 5.14 0.19 0.00 1.09 -0.43 -0.53 121.20 128.08 1x0g s ILE 66 Ca 0.04 0.90 -0.31 0.00 -1.10 0.00 0.00 60.65 60.19 1x0g s ILE 66 Cb -0.25 -3.81 -0.09 0.00 -1.06 0.00 0.00 42.46 37.24 1x0g s ILE 66 CO 0.01 0.22 1.46 0.00 -0.10 0.00 0.00 174.94 176.53 1x0g s ALA 67 N 1.40 3.66 0.26 9.38 0.00 -0.87 0.11 121.76 135.70 1x0g s ALA 67 Ca 0.23 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 1x0g s ALA 67 Cb -0.15 -3.57 0.32 0.00 0.00 0.00 0.00 23.12 19.72 1x0g s ALA 67 CO 0.09 -0.71 1.85 0.00 0.00 0.00 0.00 175.76 176.99 1x0g h ALA 68 N 6.07 1.20 0.00 0.00 0.00 -1.93 0.41 119.26 125.01 1x0g h ALA 68 Ca -0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1x0g h ALA 68 Cb 1.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x0g h ALA 68 CO 0.84 0.59 -0.04 1.05 0.00 0.00 0.00 179.25 181.69 1x0g h GLU 69 N 1.03 0.00 -0.01 0.00 9.09 -1.91 -2.50 114.58 120.28 1x0g h GLU 69 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 1x0g h GLU 69 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1x0g h GLU 69 CO -0.03 0.04 -0.40 0.00 0.05 0.00 0.00 179.01 178.68 1x0g n ALA 70 N -2.19 3.34 -0.35 1.06 0.00 0.06 -4.52 120.51 117.92 1x0g n ALA 70 Ca -0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 1x0g n ALA 70 Cb 0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 1x0g n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g n ALA 71 N -0.14 -0.29 -0.29 0.00 0.00 -0.75 0.12 120.51 119.16 1x0g n ALA 71 Ca 0.07 0.83 0.08 0.00 0.00 0.00 0.00 53.44 54.43 1x0g n ALA 71 Cb 0.38 -0.29 0.24 0.00 0.00 0.00 0.00 19.45 19.78 1x0g n ALA 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x0g h GLU 72 N 0.00 0.53 0.00 0.00 5.08 -1.81 0.23 114.58 118.61 1x0g h GLU 72 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1x0g h GLU 72 Cb 0.46 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1x0g h GLU 72 CO -0.86 0.35 0.00 1.28 -1.00 0.00 0.00 179.01 178.79 1x0g n LEU 73 N -4.93 0.72 0.00 1.33 4.77 0.31 -4.27 117.00 114.94 1x0g n LEU 73 Ca 0.18 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1x0g n LEU 73 Cb 0.49 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1x0g n LEU 73 CO 0.19 -0.20 -0.06 0.18 -1.33 0.00 0.00 177.39 176.17 1x0g n LEU 74 N -2.18 0.00 -4.68 2.23 4.77 0.28 -4.69 117.00 112.74 1x0g n LEU 74 Ca 0.05 -0.34 -0.48 0.00 -0.03 0.00 0.00 56.01 55.22 1x0g n LEU 74 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1x0g n LEU 74 CO 0.29 0.00 1.41 -1.14 -1.33 0.00 0.00 177.39 176.62 1x0g n ARG 75 N -0.86 2.14 0.00 3.23 0.63 0.54 -1.04 116.66 121.30 1x0g n ARG 75 Ca 0.00 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1x0g n ARG 75 Cb 0.00 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.30 1x0g n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x0g n GLY 76 N 4.14 0.97 3.78 5.14 0.00 0.89 -4.62 105.19 115.49 1x0g n GLY 76 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1x0g n GLY 76 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x0g s LEU 77 N 0.00 3.74 -0.06 0.99 2.96 -0.21 -4.47 118.68 121.62 1x0g s LEU 77 Ca 0.00 2.06 0.03 0.00 -0.22 0.00 0.00 54.13 56.00 1x0g s LEU 77 Cb 0.00 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.13 1x0g s LEU 77 CO 0.00 -1.11 -0.13 -0.13 -1.32 0.00 0.00 176.35 173.66 1x0g s ARG 78 N -3.38 1.75 -0.08 1.98 0.52 -0.62 -0.36 118.95 118.76 1x0g s ARG 78 Ca 0.70 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 55.47 1x0g s ARG 78 Cb -0.21 -1.45 0.01 0.00 0.52 0.00 0.00 34.95 33.83 1x0g s ARG 78 CO 0.26 0.07 -0.13 0.08 0.02 0.00 0.00 175.30 175.60 1x0g s VAL 79 N 0.54 1.24 0.02 3.52 1.01 0.11 -1.33 120.40 125.51 1x0g s VAL 79 Ca -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1x0g s VAL 79 Cb -0.15 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1x0g s VAL 79 CO 0.04 0.38 0.05 -0.62 0.00 0.00 0.00 175.10 174.95 1x0g s ASP 80 N 0.79 0.17 -0.13 3.32 2.15 0.06 -0.98 116.67 122.05 1x0g s ASP 80 Ca -0.12 -0.44 -0.02 0.00 0.43 0.00 0.00 52.55 52.41 1x0g s ASP 80 Cb -0.16 0.17 -0.03 0.00 -0.30 0.00 0.00 42.92 42.60 1x0g s ASP 80 CO 0.02 -0.38 -0.06 -0.47 -0.17 0.00 0.00 175.17 174.11 1x0g s TYR 81 N -1.79 2.96 -0.02 -5.34 5.04 -1.26 0.23 117.35 117.17 1x0g s TYR 81 Ca -0.12 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1x0g s TYR 81 Cb -0.07 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.38 1x0g s TYR 81 CO -0.01 0.01 0.00 0.42 -1.34 0.00 0.00 175.55 174.63 1x0g s ILE 82 N 0.09 0.08 -0.41 3.14 1.01 -1.00 -4.60 121.20 119.51 1x0g s ILE 82 Ca -0.02 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 1x0g s ILE 82 Cb -0.14 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.21 1x0g s ILE 82 CO 0.03 0.09 0.28 -0.70 0.00 0.00 0.00 174.94 174.64 1x0g s GLU 83 N 0.66 2.92 0.00 2.79 2.12 -1.26 -2.38 118.70 123.55 1x0g s GLU 83 Ca -0.06 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1x0g s GLU 83 Cb -0.09 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1x0g s GLU 83 CO -0.02 -0.76 0.00 -0.40 -0.54 0.00 0.00 175.26 173.54 1x0g n ASP 84 N 5.11 1.75 0.04 -1.70 5.68 -0.18 -4.94 116.55 122.31 1x0g n ASP 84 Ca -0.11 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.29 1x0g n ASP 84 Cb 0.46 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.90 1x0g n ASP 84 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1x0g n LEU 85 N 0.00 0.25 -0.50 -2.12 4.77 -1.26 -1.67 117.00 116.48 1x0g n LEU 85 Ca 0.00 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 1x0g n LEU 85 Cb 0.00 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 40.82 1x0g n LEU 85 CO 0.00 -0.22 0.56 0.23 -1.33 0.00 0.00 177.39 176.62 1x0g n MET 86 N -1.76 1.37 0.00 3.23 2.81 -1.26 -5.06 117.12 116.45 1x0g n MET 86 Ca 0.05 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1x0g n MET 86 Cb 0.27 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1x0g n MET 86 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0g n GLY 87 N 1.34 -0.09 3.44 3.03 0.00 -0.67 -5.03 105.19 107.22 1x0g n GLY 87 Ca 0.13 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 1x0g n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x0g s GLY 88 N 0.00 1.61 -0.07 -0.02 0.00 -1.26 -1.01 107.32 106.56 1x0g s GLY 88 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 1x0g s GLY 88 CO 0.00 -0.27 0.87 0.00 0.00 0.00 0.00 173.10 173.70 1x0g s ALA 89 N 0.11 -1.84 0.59 3.20 0.00 -1.00 -4.98 121.76 117.84 1x0g s ALA 89 Ca -0.04 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 1x0g s ALA 89 Cb -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1x0g s ALA 89 CO 0.04 -0.47 1.14 -0.06 0.00 0.00 0.00 175.76 176.41 1x0g s PHE 90 N -1.93 2.59 0.09 0.00 0.40 -1.26 -2.37 117.98 115.51 1x0g s PHE 90 Ca -0.01 1.54 0.04 0.00 -0.60 0.00 0.00 56.93 57.90 1x0g s PHE 90 Cb -0.01 -3.29 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 1x0g s PHE 90 CO -0.01 -1.74 -0.11 1.03 0.70 0.00 0.00 175.22 175.09 1x0g s ARG 91 N -3.54 0.83 -0.04 0.44 1.81 0.63 -4.90 118.95 114.18 1x0g s ARG 91 Ca 0.72 -1.11 -0.00 0.00 -1.72 0.00 0.00 55.73 53.62 1x0g s ARG 91 Cb -0.24 -0.57 0.03 0.00 -0.45 0.00 0.00 34.95 33.71 1x0g s ARG 91 CO 0.33 0.10 0.01 -0.06 -0.68 0.00 0.00 175.30 174.99 1x0g s PHE 92 N -2.20 0.33 -0.45 -0.53 0.40 -1.26 -0.76 117.98 113.51 1x0g s PHE 92 Ca 0.04 0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1x0g s PHE 92 Cb -0.04 -0.47 0.12 0.00 0.51 0.00 0.00 43.02 43.14 1x0g s PHE 92 CO 0.01 -0.16 0.20 -1.01 0.70 0.00 0.00 175.22 174.96 1x0g s HIS 93 N 1.26 3.01 -0.41 0.36 3.76 -0.44 -4.98 115.29 117.84 1x0g s HIS 93 Ca -0.06 -2.93 -0.15 0.00 -0.15 0.00 0.00 55.06 51.77 1x0g s HIS 93 Cb -0.13 -2.62 0.02 0.00 1.11 0.00 0.00 32.58 30.96 1x0g s HIS 93 CO -0.02 -0.80 0.31 1.21 -0.85 0.00 0.00 174.74 174.59 1x0g s ASN 94 N 0.19 6.12 0.32 1.40 3.84 -1.26 -1.59 114.94 123.95 1x0g s ASN 94 Ca 0.15 -0.90 0.25 0.00 0.21 0.00 0.00 52.86 52.57 1x0g s ASN 94 Cb -0.24 -2.17 1.09 0.00 -0.55 0.00 0.00 41.25 39.39 1x0g s ASN 94 CO -0.03 -0.47 1.76 -0.65 -2.79 0.00 0.00 177.10 174.92 1x0g h PRO 95 N 8.64 0.00 0.00 0.43 0.11 -1.83 -0.49 132.00 138.86 1x0g h PRO 95 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1x0g h PRO 95 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x0g h PRO 95 CO 0.74 0.00 -0.29 0.09 -0.21 0.00 0.00 178.00 178.33 1x0g n ASN 96 N -2.38 0.55 -4.69 -2.05 3.02 -1.26 -4.84 115.26 103.62 1x0g n ASN 96 Ca 0.01 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.41 1x0g n ASN 96 Cb 0.21 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1x0g n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x0g s ALA 97 N -3.08 3.70 -1.43 5.41 0.00 -0.19 -4.51 121.76 121.65 1x0g s ALA 97 Ca 0.10 1.27 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1x0g s ALA 97 Cb 0.15 -3.72 0.33 0.00 0.00 0.00 0.00 23.12 19.88 1x0g s ALA 97 CO 0.64 -1.16 1.29 -1.13 0.00 0.00 0.00 175.76 175.40 1x0g n SER 98 N 5.73 1.06 -3.59 0.00 3.41 0.17 -4.94 113.62 115.46 1x0g n SER 98 Ca 0.16 -0.85 -0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1x0g n SER 98 Cb 0.40 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 1x0g n SER 98 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1x0g s GLN 99 N -2.75 0.90 0.12 4.33 -0.21 -1.12 -4.96 119.66 115.97 1x0g s GLN 99 Ca 0.16 0.68 0.08 0.00 0.02 0.00 0.00 55.36 56.30 1x0g s GLN 99 Cb 0.18 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.58 1x0g s GLN 99 CO 0.66 -0.19 -0.20 0.95 -2.12 0.00 0.00 175.29 174.39 1x0g s THR 100 N -0.25 1.77 1.22 -0.19 -4.23 -1.26 -1.97 115.64 110.73 1x0g s THR 100 Ca -0.04 -1.65 -0.19 0.00 -1.18 0.00 0.00 61.69 58.63 1x0g s THR 100 Cb -0.03 -1.65 0.29 0.00 1.34 0.00 0.00 72.50 72.45 1x0g s THR 100 CO 0.04 -0.12 1.07 0.00 -0.54 0.00 0.00 174.62 175.07 1x0g h GLY 102 N -2.67 1.73 1.00 0.00 0.00 -2.01 -2.82 103.07 98.30 1x0g h GLY 102 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1x0g h GLY 102 CO 0.37 -0.30 -0.88 0.00 0.00 0.00 0.00 176.54 175.73 1x0g n GLY 104 N 1.26 0.55 0.15 0.00 0.00 -1.07 -4.92 105.19 101.16 1x0g n GLY 104 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1x0g n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x0g n MET 105 N -2.00 0.51 -4.87 1.61 2.81 -1.26 -4.56 117.12 109.36 1x0g n MET 105 Ca 0.00 -0.30 -0.26 0.00 -1.81 0.00 0.00 57.70 55.33 1x0g n MET 105 Cb 0.00 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 30.86 1x0g n MET 105 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x0g s ALA 106 N -2.70 1.63 0.22 3.04 0.00 -1.26 -2.29 121.76 120.40 1x0g s ALA 106 Ca 0.19 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1x0g s ALA 106 Cb 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1x0g s ALA 106 CO 0.59 0.39 0.20 1.97 0.00 0.00 0.00 175.76 178.92 1x0g n PHE 107 N 2.44 -0.58 -3.81 0.00 1.16 0.66 0.10 117.46 117.43 1x0g n PHE 107 Ca -0.15 -1.85 -0.12 0.00 -1.87 0.00 0.00 57.45 53.46 1x0g n PHE 107 Cb 0.53 0.21 -0.09 0.00 -1.61 0.00 0.00 39.48 38.52 1x0g n PHE 107 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1x0g s ARG 108 N -2.87 0.64 0.54 3.97 1.70 -0.83 0.80 118.95 122.90 1x0g s ARG 108 Ca 0.26 -0.41 0.05 0.00 -0.47 0.00 0.00 55.73 55.16 1x0g s ARG 108 Cb 0.01 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1x0g s ARG 108 CO 0.18 -0.18 0.34 0.14 -1.08 0.00 0.00 175.30 174.71 1x0g s VAL 109 N -1.84 1.59 0.33 4.99 -7.23 -1.26 -0.65 120.40 116.33 1x0g s VAL 109 Ca -0.10 -1.57 -0.26 0.00 -1.81 0.00 0.00 61.98 58.24 1x0g s VAL 109 Cb -0.04 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 1x0g s VAL 109 CO 0.00 0.00 0.95 -0.94 -0.31 0.00 0.00 175.10 174.80 1x0g s SER 110 N -4.22 7.30 0.40 4.85 1.04 -1.26 -4.74 113.70 117.07 1x0g s SER 110 Ca 0.30 1.84 -0.26 0.00 0.48 0.00 0.00 55.95 58.30 1x0g s SER 110 Cb -0.02 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 1x0g s SER 110 CO 0.19 -0.10 1.37 -0.13 0.98 0.00 0.00 173.24 175.55 1x0g s ARG 111 N -2.13 3.96 0.00 4.02 0.52 -1.26 -5.09 118.95 118.97 1x0g s ARG 111 Ca 0.51 2.31 0.28 0.00 -0.52 0.00 0.00 55.73 58.31 1x0g s ARG 111 Cb -0.18 -2.80 1.13 0.00 0.52 0.00 0.00 34.95 33.62 1x0g s ARG 111 CO 0.23 -0.55 1.79 -1.13 0.02 0.00 0.00 175.30 175.66