#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua s SER 2 N 0.00 3.14 0.14 1.61 1.04 -1.26 -5.09 113.70 113.28 2yua s SER 2 Ca 0.00 -1.63 -0.33 0.00 0.48 0.00 0.00 55.95 54.47 2yua s SER 2 Cb 0.00 0.42 -0.18 0.00 0.10 0.00 0.00 66.02 66.37 2yua s SER 2 CO 0.00 -0.86 0.84 -1.20 0.98 0.00 0.00 173.24 173.00 2yua n SER 3 N -1.22 -0.22 -3.90 7.02 7.64 -1.26 -4.96 113.62 116.72 2yua n SER 3 Ca -0.09 1.14 -0.14 0.00 1.01 0.00 0.00 58.87 60.80 2yua n SER 3 Cb 0.66 -1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 62.76 2yua n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yua s GLY 4 N -0.47 1.53 0.94 0.23 0.00 -1.26 -5.03 107.32 103.27 2yua s GLY 4 Ca 0.74 -1.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 2yua s GLY 4 CO 0.56 -1.28 1.11 -1.26 0.00 0.00 0.00 173.10 172.22 2yua n SER 5 N -0.68 0.06 -4.29 1.64 2.88 -1.26 -4.98 113.62 107.00 2yua n SER 5 Ca 0.03 0.36 -0.41 0.00 -1.33 0.00 0.00 58.87 57.52 2yua n SER 5 Cb 0.64 -1.45 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 2yua n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yua s SER 6 N -2.59 5.72 0.00 -3.46 0.15 -1.26 -4.90 113.70 107.36 2yua s SER 6 Ca 0.67 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2yua s SER 6 Cb -0.23 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2yua s SER 6 CO 0.59 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2yua n GLY 7 N 4.96 3.12 3.47 9.45 0.00 -1.26 -5.14 105.19 119.79 2yua n GLY 7 Ca -0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2yua n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 8 N 1.00 -0.49 -1.11 1.61 0.15 -1.26 -4.98 113.70 108.61 2yua s SER 8 Ca 0.00 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 2yua s SER 8 Cb 0.00 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2yua s SER 8 CO 0.00 -0.76 0.94 1.67 1.20 0.00 0.00 173.24 176.29 2yua n GLN 9 N -0.12 -6.26 -3.24 5.44 -0.06 -1.26 -3.88 117.38 107.99 2yua n GLN 9 Ca -0.14 0.76 -0.24 0.00 -2.00 0.00 0.00 57.00 55.39 2yua n GLN 9 Cb 0.62 -5.54 0.02 0.00 -4.06 0.00 0.00 30.24 21.28 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2yua n GLY 10 N -1.29 -0.60 3.83 1.69 0.00 -1.26 -4.95 105.19 102.62 2yua n GLY 10 Ca -0.20 1.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.65 2yua n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yua s ASP 11 N -2.11 5.13 0.00 1.61 1.01 -1.25 -5.09 116.67 115.97 2yua s ASP 11 Ca 0.28 1.36 -0.05 0.00 0.71 0.00 0.00 52.55 54.86 2yua s ASP 11 Cb -0.05 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.70 2yua s ASP 11 CO 0.83 -1.57 0.09 0.00 0.21 0.00 0.00 175.17 174.73 2yua n SER 13 N 1.66 1.91 -4.14 0.00 3.41 -1.26 -4.97 113.62 110.23 2yua n SER 13 Ca -0.22 0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 2yua n SER 13 Cb 0.56 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 2yua n SER 13 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2yua s TYR 14 N -2.65 0.86 -0.16 7.33 -0.85 -1.26 -5.13 117.35 115.49 2yua s TYR 14 Ca -0.28 -1.22 -0.26 0.00 -0.52 0.00 0.00 57.07 54.79 2yua s TYR 14 Cb 0.06 -0.46 -0.01 0.00 0.38 0.00 0.00 41.96 41.93 2yua s TYR 14 CO 0.41 -0.55 0.89 -1.54 -1.52 0.00 0.00 175.55 173.23 2yua s SER 15 N -3.06 7.02 0.00 -0.18 1.04 -1.26 -4.87 113.70 112.39 2yua s SER 15 Ca 0.25 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2yua s SER 15 Cb 0.07 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2yua s SER 15 CO 0.03 -0.44 0.00 -2.11 0.98 0.00 0.00 173.24 171.70 2yua n ARG 16 N 5.32 3.32 -0.00 4.02 0.00 -1.26 -4.75 116.66 123.30 2yua n ARG 16 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2yua n ARG 16 Cb 0.48 -0.94 0.00 0.00 -0.00 0.00 0.00 32.46 32.00 2yua n ARG 16 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2yua n THR 17 N -1.79 0.35 -0.14 8.89 5.66 -1.26 -4.74 114.28 121.25 2yua n THR 17 Ca 0.00 -0.68 -0.03 0.00 -3.05 0.00 0.00 64.05 60.29 2yua n THR 17 Cb 0.41 0.83 0.05 0.00 -1.55 0.00 0.00 70.33 70.06 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua h ALA 18 N 0.02 0.44 0.00 1.79 0.00 -1.96 0.29 119.26 119.83 2yua h ALA 18 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2yua h ALA 18 Cb 0.18 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2yua h ALA 18 CO 0.00 -0.38 0.19 1.28 0.00 0.00 0.00 179.25 180.34 2yua n LEU 19 N -5.20 0.40 0.03 0.00 4.77 -1.26 0.73 117.00 116.47 2yua n LEU 19 Ca 0.04 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 2yua n LEU 19 Cb 0.24 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.61 2yua n LEU 19 CO 0.18 -0.76 -0.49 -1.22 -1.33 0.00 0.00 177.39 173.77 2yua n TYR 20 N -2.09 0.32 0.02 -1.77 4.02 0.97 -4.21 117.16 114.41 2yua n TYR 20 Ca -0.01 0.09 -0.07 0.00 -0.01 0.00 0.00 57.90 57.90 2yua n TYR 20 Cb 0.21 -0.64 -0.12 0.00 -0.02 0.00 0.00 39.34 38.77 2yua n TYR 20 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2yua h ASP 21 N 0.00 0.00 -0.57 7.72 1.82 0.75 -0.57 116.42 125.57 2yua h ASP 21 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 2yua h ASP 21 Cb 0.99 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 2yua h ASP 21 CO 0.00 0.96 0.24 -0.07 -1.61 0.00 0.00 179.24 178.75 2yua h LEU 22 N 0.00 0.78 0.03 2.28 4.07 -1.47 -3.21 115.31 117.78 2yua h LEU 22 Ca -0.17 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 57.57 2yua h LEU 22 Cb 1.88 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 43.42 2yua h LEU 22 CO 0.10 0.73 -0.25 -0.07 -1.08 0.00 0.00 178.44 177.87 2yua h LEU 23 N 0.78 0.17 0.00 1.67 4.07 -1.73 -3.49 115.31 116.78 2yua h LEU 23 Ca 0.19 -0.89 0.00 0.00 0.08 0.00 0.00 57.88 57.26 2yua h LEU 23 Cb 0.19 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2yua h LEU 23 CO -0.02 1.04 0.00 0.61 -1.08 0.00 0.00 178.44 179.00 2yua n GLY 24 N 1.36 1.49 3.13 0.83 0.00 -1.07 -4.85 105.19 106.08 2yua n GLY 24 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2yua n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yua s VAL 25 N -1.99 0.93 1.19 1.61 -7.23 -0.24 -5.04 120.40 109.62 2yua s VAL 25 Ca 0.00 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 58.78 2yua s VAL 25 Cb 0.00 -0.92 0.28 0.00 0.56 0.00 0.00 36.38 36.30 2yua s VAL 25 CO 0.00 -0.25 1.11 -2.16 -0.31 0.00 0.00 175.10 173.49 2yua s PRO 26 N -1.63 -1.13 0.00 4.82 0.04 -1.26 -4.24 135.00 131.59 2yua s PRO 26 Ca -0.04 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.04 2yua s PRO 26 Cb -0.10 -1.60 0.45 0.00 0.04 0.00 0.00 34.50 33.28 2yua s PRO 26 CO 0.02 -3.66 1.29 0.45 0.04 0.00 0.00 177.00 175.14 2yua n SER 27 N -4.73 0.10 -0.10 6.66 2.88 -1.26 -2.82 113.62 114.36 2yua n SER 27 Ca 0.13 -1.77 0.02 0.00 -1.33 0.00 0.00 58.87 55.92 2yua n SER 27 Cb 0.59 -0.01 -0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2yua n SER 27 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2yua n THR 28 N -0.56 0.00 -0.71 2.46 5.66 -1.26 -5.04 114.28 114.82 2yua n THR 28 Ca 0.06 -0.44 -0.31 0.00 -3.05 0.00 0.00 64.05 60.31 2yua n THR 28 Cb 0.04 1.05 0.17 0.00 -1.55 0.00 0.00 70.33 70.04 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua s ALA 29 N -1.00 1.48 0.52 1.79 0.00 -1.13 -5.05 121.76 118.37 2yua s ALA 29 Ca 0.04 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.66 2yua s ALA 29 Cb 0.04 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2yua s ALA 29 CO 0.14 -2.76 0.14 0.95 0.00 0.00 0.00 175.76 174.23 2yua s THR 30 N -2.60 1.37 0.27 0.00 -4.23 -1.26 -4.85 115.64 104.34 2yua s THR 30 Ca 0.68 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2yua s THR 30 Cb -0.23 -2.19 0.27 0.00 1.34 0.00 0.00 72.50 71.68 2yua s THR 30 CO 0.57 0.00 1.69 1.56 -0.54 0.00 0.00 174.62 177.91 2yua h GLN 31 N 1.16 0.34 -0.65 3.99 1.08 -1.96 0.52 115.11 119.60 2yua h GLN 31 Ca -0.42 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 56.87 2yua h GLN 31 Cb 1.31 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.58 2yua h GLN 31 CO 0.69 0.23 0.25 0.00 -0.95 0.00 0.00 178.83 179.04 2yua h ALA 32 N 1.68 0.86 0.00 3.87 0.00 -1.99 0.27 119.26 123.95 2yua h ALA 32 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2yua h ALA 32 Cb 0.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2yua h ALA 32 CO -0.53 -0.19 -0.03 1.96 0.00 0.00 0.00 179.25 180.47 2yua h GLN 33 N 0.42 0.00 -0.53 0.00 4.20 -1.23 -2.52 115.11 115.46 2yua h GLN 33 Ca 0.34 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.20 2yua h GLN 33 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2yua h GLN 33 CO -0.33 0.00 0.93 0.82 -0.67 0.00 0.00 178.83 179.57 2yua h ILE 34 N -0.76 0.06 0.00 2.54 2.04 -0.09 0.52 117.51 121.82 2yua h ILE 34 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2yua h ILE 34 Cb 0.03 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2yua h ILE 34 CO 0.00 0.00 -0.54 0.50 0.00 0.00 0.00 178.15 178.11 2yua h LYS 35 N 0.00 0.00 -1.21 2.37 3.64 -1.03 -3.27 116.57 117.07 2yua h LYS 35 Ca 0.25 0.00 0.38 0.00 -1.27 0.00 0.00 60.65 60.01 2yua h LYS 35 Cb 2.10 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.80 2yua h LYS 35 CO -0.00 0.28 0.78 0.00 -2.27 0.00 0.00 179.45 178.24 2yua h ALA 36 N -0.82 2.55 0.38 5.00 0.00 -0.46 0.26 119.26 126.17 2yua h ALA 36 Ca -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2yua h ALA 36 Cb 0.61 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2yua h ALA 36 CO -0.05 -1.11 -0.18 0.00 0.00 0.00 0.00 179.25 177.92 2yua h ALA 37 N 1.61 -0.51 0.00 0.00 0.00 -1.49 -2.61 119.26 116.26 2yua h ALA 37 Ca 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2yua h ALA 37 Cb 2.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2yua h ALA 37 CO -0.38 -0.60 0.43 -0.92 0.00 0.00 0.00 179.25 177.78 2yua h TYR 38 N -0.89 0.00 0.05 0.00 3.20 -1.01 0.67 116.97 119.00 2yua h TYR 38 Ca -0.05 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.51 2yua h TYR 38 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2yua h TYR 38 CO 0.02 0.00 -1.70 1.88 -1.64 0.00 0.00 178.16 176.72 2yua h TYR 39 N 0.00 0.20 -0.46 -3.82 -1.99 -1.20 -3.31 116.97 106.39 2yua h TYR 39 Ca 0.00 -0.15 -0.10 0.00 2.00 0.00 0.00 58.73 60.48 2yua h TYR 39 Cb 0.86 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.52 2yua h TYR 39 CO 0.00 1.26 0.13 2.89 -0.00 0.00 0.00 178.16 182.44 2yua n ARG 40 N -3.25 3.05 -0.01 4.88 1.85 0.23 -4.13 116.66 119.29 2yua n ARG 40 Ca -0.19 -2.05 -0.02 0.00 -1.00 0.00 0.00 57.85 54.59 2yua n ARG 40 Cb 1.04 -1.94 -0.01 0.00 -1.05 0.00 0.00 32.46 30.51 2yua n ARG 40 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2yua n GLN 41 N 0.11 0.04 -0.26 2.89 1.13 -0.91 -4.46 117.38 115.93 2yua n GLN 41 Ca 0.25 0.01 0.03 0.00 -1.94 0.00 0.00 57.00 55.36 2yua n GLN 41 Cb 1.00 -0.71 0.26 0.00 0.11 0.00 0.00 30.24 30.90 2yua n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yua h PHE 43 N 0.98 0.83 -0.69 0.00 3.04 -1.85 -1.09 116.94 118.17 2yua h PHE 43 Ca 0.34 -0.23 0.04 0.00 3.98 0.00 0.00 57.97 62.11 2yua h PHE 43 Cb 0.12 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 38.40 2yua h PHE 43 CO -0.00 0.95 0.42 -0.07 -2.02 0.00 0.00 178.31 177.60 2yua h LEU 44 N 0.47 0.68 -3.88 0.59 3.38 -1.62 -2.47 115.31 112.47 2yua h LEU 44 Ca 0.06 0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.44 2yua h LEU 44 Cb 0.77 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 41.06 2yua h LEU 44 CO 0.06 0.46 0.23 -1.22 0.09 0.00 0.00 178.44 178.07 2yua n TYR 45 N -4.70 2.94 -1.68 1.13 4.02 -0.78 -5.04 117.16 113.07 2yua n TYR 45 Ca 0.08 -2.63 -0.42 0.00 -0.01 0.00 0.00 57.90 54.92 2yua n TYR 45 Cb 0.11 -1.00 -0.00 0.00 -0.02 0.00 0.00 39.34 38.43 2yua n TYR 45 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 2yua n HIS 46 N -0.87 2.03 0.28 -0.72 -0.00 -0.42 -4.88 115.22 110.65 2yua n HIS 46 Ca 0.55 0.57 0.18 0.00 0.46 0.00 0.00 57.72 59.47 2yua n HIS 46 Cb 0.83 -2.37 0.71 0.00 -0.12 0.00 0.00 29.99 29.04 2yua n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2yua h PRO 47 N 2.32 0.00 -0.09 1.57 0.13 -1.92 -2.86 132.00 131.15 2yua h PRO 47 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 2yua h PRO 47 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2yua h PRO 47 CO 0.61 0.00 -0.68 0.22 -0.23 0.00 0.00 178.00 177.93 2yua h ASP 48 N 0.00 0.45 -0.00 1.44 3.58 -1.97 0.60 116.42 120.52 2yua h ASP 48 Ca 0.00 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.17 2yua h ASP 48 Cb 0.48 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2yua h ASP 48 CO 0.00 1.00 -0.01 0.03 -2.88 0.00 0.00 179.24 177.37 2yua h ARG 49 N 0.28 0.01 -0.02 0.28 2.47 -1.89 -3.34 114.38 112.17 2yua h ARG 49 Ca -0.02 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 2yua h ARG 49 Cb 1.23 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.57 2yua h ARG 49 CO 0.11 0.76 -0.88 -0.91 0.56 0.00 0.00 179.97 179.61 2yua h ASN 50 N -0.73 0.81 -6.49 7.04 2.35 -1.61 -3.48 115.58 113.48 2yua h ASN 50 Ca -0.00 -0.73 -0.50 0.00 -0.55 0.00 0.00 56.30 54.52 2yua h ASN 50 Cb 0.76 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.80 2yua h ASN 50 CO 0.00 1.43 -0.84 -0.24 -1.65 0.00 0.00 177.43 176.13 2yua n SER 51 N -3.97 -2.05 0.00 5.81 2.88 0.21 -4.65 113.62 111.85 2yua n SER 51 Ca -0.10 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 2yua n SER 51 Cb 0.81 -3.23 0.00 0.00 -0.75 0.00 0.00 64.21 61.03 2yua n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yua n GLY 52 N -1.73 2.32 3.48 0.46 0.00 -1.26 -5.08 105.19 103.38 2yua n GLY 52 Ca -0.14 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 2yua n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 53 N 0.00 -0.56 -0.18 1.61 0.15 -1.26 -5.04 113.70 108.42 2yua s SER 53 Ca 0.00 0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.72 2yua s SER 53 Cb 0.00 0.52 -0.21 0.00 -1.71 0.00 0.00 66.02 64.63 2yua s SER 53 CO 0.00 -0.74 0.39 0.00 1.20 0.00 0.00 173.24 174.09 2yua h ALA 54 N 2.42 0.16 0.09 5.45 0.00 -2.00 -3.22 119.26 122.16 2yua h ALA 54 Ca -0.29 -0.93 -0.12 0.00 0.00 0.00 0.00 54.91 53.57 2yua h ALA 54 Cb 1.23 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2yua h ALA 54 CO 0.37 0.45 -0.54 0.93 0.00 0.00 0.00 179.25 180.46 2yua h GLU 55 N -1.00 0.21 -0.14 0.00 4.39 -2.00 -3.17 114.58 112.87 2yua h GLU 55 Ca -0.22 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.18 2yua h GLU 55 Cb 1.16 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2yua h GLU 55 CO -0.13 1.15 0.10 0.00 -1.16 0.00 0.00 179.01 178.97 2yua h ALA 56 N 0.07 2.11 0.39 3.43 0.00 -1.97 -1.53 119.26 121.76 2yua h ALA 56 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2yua h ALA 56 Cb 1.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2yua h ALA 56 CO 0.10 -0.17 -0.19 0.00 0.00 0.00 0.00 179.25 178.99 2yua h ALA 57 N 1.93 -0.69 -0.76 0.00 0.00 -1.62 0.44 119.26 118.56 2yua h ALA 57 Ca 0.06 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.05 2yua h ALA 57 Cb 0.26 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2yua h ALA 57 CO -0.00 -0.65 0.53 1.05 0.00 0.00 0.00 179.25 180.17 2yua h GLU 58 N -0.85 0.18 0.00 0.00 4.11 -1.50 0.25 114.58 116.78 2yua h GLU 58 Ca -0.05 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.17 2yua h GLU 58 Cb 0.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2yua h GLU 58 CO 0.09 0.12 -0.93 -0.09 0.07 0.00 0.00 179.01 178.27 2yua h ARG 59 N 0.19 0.01 -0.13 1.06 2.43 -1.29 -3.01 114.38 113.64 2yua h ARG 59 Ca 0.37 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2yua h ARG 59 Cb 1.19 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2yua h ARG 59 CO -0.07 0.93 -0.10 0.35 -1.51 0.00 0.00 179.97 179.58 2yua h PHE 60 N 0.01 0.35 -0.66 2.20 3.57 0.18 -2.80 116.94 119.78 2yua h PHE 60 Ca -0.01 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2yua h PHE 60 Cb 1.64 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 2yua h PHE 60 CO 0.00 0.67 0.34 0.00 -2.23 0.00 0.00 178.31 177.10 2yua h THR 61 N -0.07 1.22 -0.05 4.41 1.03 -1.37 -2.97 112.91 115.11 2yua h THR 61 Ca 0.02 -0.57 0.03 0.00 -0.01 0.00 0.00 66.41 65.88 2yua h THR 61 Cb 0.60 0.38 -0.03 0.00 -1.07 0.00 0.00 68.15 68.02 2yua h THR 61 CO 0.03 0.24 -0.13 0.03 -0.01 0.00 0.00 175.52 175.68 2yua h ARG 62 N 0.91 -0.19 -0.71 0.00 3.08 -1.53 -2.44 114.38 113.51 2yua h ARG 62 Ca 0.23 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.45 2yua h ARG 62 Cb 0.08 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.04 2yua h ARG 62 CO -0.03 -0.13 -0.06 0.82 -1.07 0.00 0.00 179.97 179.50 2yua h ILE 63 N -0.20 0.35 -0.96 2.04 2.04 -1.34 0.27 117.51 119.73 2yua h ILE 63 Ca 0.06 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.99 2yua h ILE 63 Cb 0.28 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2yua h ILE 63 CO -0.16 0.01 0.62 0.28 0.00 0.00 0.00 178.15 178.89 2yua h SER 64 N 0.07 0.93 -0.23 1.72 0.02 -1.36 -2.13 113.55 112.56 2yua h SER 64 Ca 0.37 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 2yua h SER 64 Cb 0.61 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2yua h SER 64 CO -0.66 0.56 0.05 1.56 -1.14 0.00 0.00 176.83 177.20 2yua h GLN 65 N 1.03 0.14 -0.48 3.45 4.20 -0.15 -1.12 115.11 122.18 2yua h GLN 65 Ca 0.43 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.27 2yua h GLN 65 Cb 0.31 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2yua h GLN 65 CO -0.19 0.09 0.43 0.00 -0.67 0.00 0.00 178.83 178.49 2yua h ALA 66 N 1.17 2.29 -0.12 3.87 0.00 -0.97 0.46 119.26 125.96 2yua h ALA 66 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2yua h ALA 66 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2yua h ALA 66 CO -0.13 -0.67 0.00 0.98 0.00 0.00 0.00 179.25 179.42 2yua n TYR 67 N -3.98 0.33 0.00 0.00 9.36 -0.43 -3.40 117.16 119.04 2yua n TYR 67 Ca 0.09 -0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.18 2yua n TYR 67 Cb 0.63 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 2yua n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2yua n VAL 68 N 0.05 0.00 0.10 2.97 0.31 0.16 -3.46 118.33 118.46 2yua n VAL 68 Ca 0.05 0.15 0.19 0.00 -0.01 0.00 0.00 64.34 64.72 2yua n VAL 68 Cb 0.33 -1.08 0.75 0.00 -0.91 0.00 0.00 33.84 32.93 2yua n VAL 68 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2yua h VAL 69 N 0.00 0.51 0.00 2.52 2.07 -1.73 -0.93 116.25 118.69 2yua h VAL 69 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2yua h VAL 69 Cb 0.00 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2yua h VAL 69 CO 0.00 0.00 -1.78 0.18 0.02 0.00 0.00 177.57 175.99 2yua n LEU 70 N -3.94 0.00 -0.15 2.57 4.77 -1.22 -2.95 117.00 116.09 2yua n LEU 70 Ca 0.06 0.00 0.28 0.00 -0.03 0.00 0.00 56.01 56.33 2yua n LEU 70 Cb 0.53 0.07 0.71 0.00 -2.33 0.00 0.00 43.42 42.41 2yua n LEU 70 CO 0.30 0.07 1.26 1.23 -1.33 0.00 0.00 177.39 178.92 2yua h GLY 71 N 2.92 0.00 -2.47 -0.72 0.00 -1.19 -3.41 103.07 98.20 2yua h GLY 71 Ca -0.07 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.70 2yua h GLY 71 CO 0.00 0.00 -0.60 -0.45 0.00 0.00 0.00 176.54 175.50 2yua s SER 72 N -5.20 4.64 -0.11 0.19 0.15 -1.22 -5.00 113.70 107.15 2yua s SER 72 Ca -0.05 -0.68 -0.26 0.00 0.70 0.00 0.00 55.95 55.66 2yua s SER 72 Cb 0.20 -0.83 -0.28 0.00 -1.71 0.00 0.00 66.02 63.40 2yua s SER 72 CO 0.69 -0.12 0.80 0.00 1.20 0.00 0.00 173.24 175.81 2yua h ALA 73 N 1.74 -0.02 -0.23 5.45 0.00 -1.92 -3.25 119.26 121.03 2yua h ALA 73 Ca -0.44 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 53.93 2yua h ALA 73 Cb 1.25 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 2yua h ALA 73 CO 0.62 0.16 -0.29 1.15 0.00 0.00 0.00 179.25 180.89 2yua h THR 74 N -0.77 0.32 -0.07 0.00 2.02 -1.96 -2.56 112.91 109.90 2yua h THR 74 Ca -0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.15 2yua h THR 74 Cb 1.25 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 2yua h THR 74 CO 0.05 0.00 -0.47 -0.07 0.37 0.00 0.00 175.52 175.40 2yua h LEU 75 N -0.31 -1.47 -0.84 2.58 3.38 -1.80 0.85 115.31 117.70 2yua h LEU 75 Ca 0.13 0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.46 2yua h LEU 75 Cb 0.51 0.58 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 2yua h LEU 75 CO -0.40 -0.47 -0.15 0.54 0.09 0.00 0.00 178.44 178.04 2yua n ARG 76 N -5.45 -0.07 -0.05 1.13 5.12 -0.98 0.87 116.66 117.23 2yua n ARG 76 Ca -0.06 1.29 -0.15 0.00 -1.93 0.00 0.00 57.85 57.01 2yua n ARG 76 Cb 0.38 -1.96 -0.07 0.00 -1.16 0.00 0.00 32.46 29.64 2yua n ARG 76 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yua h ARG 77 N 0.00 0.51 -0.09 5.56 -0.00 -1.13 -3.29 114.38 115.95 2yua h ARG 77 Ca 0.43 -0.36 0.03 0.00 -0.50 0.00 0.00 59.98 59.58 2yua h ARG 77 Cb 0.72 0.05 -0.06 0.00 0.00 0.00 0.00 29.97 30.68 2yua h ARG 77 CO -0.84 0.97 -0.50 0.87 0.00 0.00 0.00 179.97 180.46 2yua h LYS 78 N 0.14 -0.57 -1.41 0.04 1.57 0.29 0.13 116.57 116.76 2yua h LYS 78 Ca -0.01 0.04 0.41 0.00 -1.87 0.00 0.00 60.65 59.23 2yua h LYS 78 Cb 0.99 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 2yua h LYS 78 CO 0.08 -0.38 0.99 -0.92 -0.57 0.00 0.00 179.45 178.65 2yua h TYR 79 N -0.59 0.15 -0.18 -1.35 3.20 -1.09 0.75 116.97 117.86 2yua h TYR 79 Ca 0.04 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 2yua h TYR 79 Cb 0.68 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2yua h TYR 79 CO -0.53 -0.02 -0.44 0.22 -1.64 0.00 0.00 178.16 175.75 2yua h ASP 80 N 0.06 0.70 -0.06 -2.11 3.58 -0.83 -3.02 116.42 114.73 2yua h ASP 80 Ca 0.71 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2yua h ASP 80 Cb 2.64 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 43.49 2yua h ASP 80 CO -0.10 1.14 0.00 0.54 -2.88 0.00 0.00 179.24 177.94 2yua n ARG 81 N -4.22 1.42 -1.16 0.28 5.12 0.22 -4.89 116.66 113.43 2yua n ARG 81 Ca -0.06 -0.62 -0.05 0.00 -1.93 0.00 0.00 57.85 55.18 2yua n ARG 81 Cb 0.56 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.42 2yua n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yua n GLY 82 N 1.05 0.76 0.21 -0.13 0.00 0.96 -4.87 105.19 103.16 2yua n GLY 82 Ca 0.18 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2yua n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yua h LEU 83 N 0.00 0.00 -9.10 0.99 3.38 -1.65 -3.43 115.31 105.49 2yua h LEU 83 Ca -0.11 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.27 2yua h LEU 83 Cb 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2yua h LEU 83 CO 0.16 0.00 0.52 -0.22 0.09 0.00 0.00 178.44 178.99 2yua s LEU 84 N -5.70 4.13 0.32 1.67 2.96 -1.25 -4.95 118.68 115.86 2yua s LEU 84 Ca 0.05 1.19 0.10 0.00 -0.22 0.00 0.00 54.13 55.26 2yua s LEU 84 Cb 0.08 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.41 2yua s LEU 84 CO 0.58 -0.50 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.55 2yua s SER 85 N 1.23 3.75 0.44 3.68 0.01 -1.26 -4.89 113.70 116.65 2yua s SER 85 Ca 0.39 -1.12 0.31 0.00 1.31 0.00 0.00 55.95 56.84 2yua s SER 85 Cb -0.16 -0.36 1.48 0.00 0.21 0.00 0.00 66.02 67.19 2yua s SER 85 CO 0.09 -0.13 1.58 -0.78 0.41 0.00 0.00 173.24 174.42 2yua h ASP 86 N 2.07 0.22 -0.91 2.44 1.82 -2.00 0.17 116.42 120.23 2yua h ASP 86 Ca -0.42 0.16 0.28 0.00 -0.39 0.00 0.00 57.03 56.66 2yua h ASP 86 Cb 1.25 0.17 -0.17 0.00 0.68 0.00 0.00 39.33 41.26 2yua h ASP 86 CO 0.67 -0.27 0.12 1.21 -1.61 0.00 0.00 179.24 179.36 2yua n GLU 87 N -4.78 -0.07 -0.06 0.28 4.07 -1.26 0.10 120.64 118.93 2yua n GLU 87 Ca 0.40 1.33 -0.12 0.00 -0.06 0.00 0.00 57.16 58.71 2yua n GLU 87 Cb 1.53 -2.17 -0.06 0.00 -0.06 0.00 0.00 31.44 30.68 2yua n GLU 87 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2yua h ASP 88 N 0.00 0.32 0.12 4.31 3.58 -0.95 0.28 116.42 124.08 2yua h ASP 88 Ca 0.59 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.70 2yua h ASP 88 Cb 1.32 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2yua h ASP 88 CO -0.82 0.60 -0.16 -0.07 -2.88 0.00 0.00 179.24 175.91 2yua h LEU 89 N 0.04 -0.44 -1.03 2.28 3.38 0.57 -2.43 115.31 117.68 2yua h LEU 89 Ca 0.04 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2yua h LEU 89 Cb 0.46 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2yua h LEU 89 CO 0.02 -0.24 -0.45 0.08 0.09 0.00 0.00 178.44 177.94 2yua h ARG 90 N -0.33 0.08 0.00 1.13 0.11 -0.72 -3.49 114.38 111.16 2yua h ARG 90 Ca 0.02 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2yua h ARG 90 Cb 0.34 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2yua h ARG 90 CO -0.07 0.52 0.00 0.41 0.10 0.00 0.00 179.97 180.92 2yua n GLY 91 N -0.20 0.03 3.71 0.08 0.00 1.00 -4.94 105.19 104.87 2yua n GLY 91 Ca -0.02 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2yua n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 92 N -1.11 4.32 -0.43 1.61 0.04 -1.26 -4.75 135.00 133.42 2yua s PRO 92 Ca 0.00 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2yua s PRO 92 Cb 0.00 -3.34 0.23 0.00 0.04 0.00 0.00 34.50 31.43 2yua s PRO 92 CO 0.00 -0.46 0.97 0.41 0.04 0.00 0.00 177.00 177.96 2yua n GLY 93 N 3.52 -0.83 3.32 0.56 0.00 -1.26 -5.16 105.19 105.35 2yua n GLY 93 Ca 0.12 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.63 2yua n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 94 N -0.29 -0.28 0.00 1.61 1.04 -1.26 -5.13 113.70 109.39 2yua s SER 94 Ca 0.29 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2yua s SER 94 Cb 0.15 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2yua s SER 94 CO -0.14 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2yua n GLY 95 N 0.53 0.77 0.00 7.32 0.00 -1.26 -4.84 105.19 107.71 2yua n GLY 95 Ca -0.19 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.16 2yua n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yua n PRO 96 N 0.00 0.08 -1.44 1.61 -0.04 -1.26 -4.86 135.00 129.09 2yua n PRO 96 Ca 0.00 0.21 -0.51 0.00 -0.04 0.00 0.00 63.50 63.16 2yua n PRO 96 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2yua n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yua n SER 97 N -1.42 -0.80 -0.34 3.54 7.64 -1.26 -4.86 113.62 116.12 2yua n SER 97 Ca 0.05 1.14 0.09 0.00 1.01 0.00 0.00 58.87 61.16 2yua n SER 97 Cb 0.15 -0.95 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 2yua n SER 97 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yua n SER 98 N 1.84 1.62 0.00 6.43 3.41 -1.26 -5.13 113.62 120.53 2yua n SER 98 Ca 0.18 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 2yua n SER 98 Cb 0.20 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 2yua n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49