#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 -0.38 0.44 1.61 1.04 -1.26 -5.19 113.70 109.96 2yua s SER 2 Ca 0.00 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.28 2yua s SER 2 Cb 0.00 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 2yua s SER 2 CO 0.00 -0.95 0.05 -0.44 0.98 0.00 0.00 173.24 172.87 2yua s SER 3 N -2.75 4.05 -0.13 7.02 0.01 -1.26 -5.16 113.70 115.48 2yua s SER 3 Ca 0.06 -1.41 -0.08 0.00 1.31 0.00 0.00 55.95 55.83 2yua s SER 3 Cb -0.02 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.13 2yua s SER 3 CO -0.05 -0.60 0.33 -0.83 0.41 0.00 0.00 173.24 172.50 2yua s GLY 4 N -3.80 -0.24 -0.15 3.44 0.00 -1.26 -5.09 107.32 100.22 2yua s GLY 4 Ca 0.28 1.15 -0.05 0.00 0.00 0.00 0.00 44.72 46.11 2yua s GLY 4 CO 0.15 1.26 0.09 -1.35 0.00 0.00 0.00 173.10 173.25 2yua s SER 5 N 0.97 2.13 0.41 1.64 1.04 -1.26 -5.13 113.70 113.50 2yua s SER 5 Ca -0.07 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.71 2yua s SER 5 Cb -0.07 -0.19 -0.13 0.00 0.10 0.00 0.00 66.02 65.73 2yua s SER 5 CO -0.07 -0.34 -0.07 -1.54 0.98 0.00 0.00 173.24 172.20 2yua n SER 6 N 5.28 -2.96 -0.68 7.02 3.41 -1.26 -4.98 113.62 119.46 2yua n SER 6 Ca -0.06 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2yua n SER 6 Cb 0.49 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2yua n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yua n GLY 7 N 2.09 6.57 3.78 5.00 0.00 -1.26 -5.13 105.19 116.23 2yua n GLY 7 Ca 0.07 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 0.31 5.28 0.13 1.61 0.15 -1.26 -4.95 113.70 114.96 2yua s SER 8 Ca 0.00 2.00 -0.32 0.00 0.70 0.00 0.00 55.95 58.32 2yua s SER 8 Cb 0.00 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.66 2yua s SER 8 CO 0.00 -1.52 1.56 1.56 1.20 0.00 0.00 173.24 176.04 2yua h GLN 9 N 0.24 -0.49 -4.30 5.44 4.20 -2.01 -3.48 115.11 114.72 2yua h GLN 9 Ca -0.47 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2yua h GLN 9 Cb 1.24 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 2yua h GLN 9 CO 0.55 -0.32 -0.63 0.41 -0.67 0.00 0.00 178.83 178.17 2yua n GLY 10 N -1.42 -3.79 3.34 3.46 0.00 -1.26 -4.93 105.19 100.59 2yua n GLY 10 Ca -0.05 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2yua n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2yua s ASP 11 N -0.96 4.01 0.26 1.61 -4.77 -1.26 -4.75 116.67 110.80 2yua s ASP 11 Ca -0.01 -0.36 0.09 0.00 -3.30 0.00 0.00 52.55 48.97 2yua s ASP 11 Cb 0.00 -1.63 -0.05 0.00 -1.09 0.00 0.00 42.92 40.15 2yua s ASP 11 CO 0.48 0.11 -0.15 0.00 0.70 0.00 0.00 175.17 176.31 2yua n SER 13 N -0.53 -0.76 -4.93 0.00 2.88 -1.26 -4.39 113.62 104.62 2yua n SER 13 Ca -0.06 1.46 -0.25 0.00 -1.33 0.00 0.00 58.87 58.69 2yua n SER 13 Cb 0.61 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 2yua n SER 13 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2yua s TYR 14 N -5.54 3.50 -0.66 0.66 -0.85 -1.26 -5.03 117.35 108.16 2yua s TYR 14 Ca -0.10 0.40 -0.25 0.00 -0.52 0.00 0.00 57.07 56.59 2yua s TYR 14 Cb 0.12 -1.93 0.04 0.00 0.38 0.00 0.00 41.96 40.57 2yua s TYR 14 CO 0.54 0.15 1.12 -1.12 -1.52 0.00 0.00 175.55 174.71 2yua s SER 15 N -3.81 6.23 0.10 -0.18 0.01 -1.26 -4.73 113.70 110.06 2yua s SER 15 Ca 0.41 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2yua s SER 15 Cb -0.10 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2yua s SER 15 CO 0.35 -1.57 0.00 -1.14 0.41 0.00 0.00 173.24 171.28 2yua n ARG 16 N 8.44 0.00 0.00 12.44 0.63 -1.26 -4.75 116.66 132.15 2yua n ARG 16 Ca 0.01 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.08 2yua n ARG 16 Cb 0.48 -0.37 0.75 0.00 0.45 0.00 0.00 32.46 33.77 2yua n ARG 16 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2yua n THR 17 N -3.30 0.07 -0.03 5.15 -1.04 -1.26 -3.40 114.28 110.47 2yua n THR 17 Ca 0.00 0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.87 2yua n THR 17 Cb 0.12 -0.58 -0.09 0.00 -1.82 0.00 0.00 70.33 67.96 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yua h ALA 18 N 3.51 0.17 0.00 2.41 0.00 -1.85 -3.05 119.26 120.44 2yua h ALA 18 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2yua h ALA 18 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2yua h ALA 18 CO 0.00 0.32 0.27 -0.07 0.00 0.00 0.00 179.25 179.77 2yua h LEU 19 N 0.01 0.00 0.00 0.00 3.38 -1.87 0.65 115.31 117.48 2yua h LEU 19 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 2yua h LEU 19 Cb 1.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2yua h LEU 19 CO 0.09 0.00 -1.78 -1.22 0.09 0.00 0.00 178.44 175.62 2yua n TYR 20 N -2.20 0.56 0.07 1.13 4.02 -1.16 -4.10 117.16 115.49 2yua n TYR 20 Ca -0.01 0.19 -0.05 0.00 -0.01 0.00 0.00 57.90 58.02 2yua n TYR 20 Cb 0.29 -0.97 -0.09 0.00 -0.02 0.00 0.00 39.34 38.55 2yua n TYR 20 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2yua h ASP 21 N 0.00 0.00 -0.66 7.72 5.19 0.30 -1.08 116.42 127.89 2yua h ASP 21 Ca -0.24 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.09 2yua h ASP 21 Cb 1.69 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.17 2yua h ASP 21 CO 0.04 0.87 0.10 -0.07 -3.12 0.00 0.00 179.24 177.06 2yua h LEU 22 N 0.00 1.05 0.07 1.55 4.07 -1.40 -3.12 115.31 117.53 2yua h LEU 22 Ca -0.03 -0.26 -0.29 0.00 0.08 0.00 0.00 57.88 57.38 2yua h LEU 22 Cb 1.69 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 43.13 2yua h LEU 22 CO 0.11 1.05 -1.50 -0.07 -1.08 0.00 0.00 178.44 176.95 2yua h LEU 23 N 1.02 0.23 -0.26 1.67 4.07 -1.71 -3.49 115.31 116.84 2yua h LEU 23 Ca 0.20 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2yua h LEU 23 Cb 0.44 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2yua h LEU 23 CO 0.01 1.29 0.00 0.61 -1.08 0.00 0.00 178.44 179.27 2yua n GLY 24 N 1.60 0.87 3.03 0.83 0.00 -0.71 -4.80 105.19 106.02 2yua n GLY 24 Ca -0.14 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.03 0.51 0.73 1.61 -7.23 -0.49 -5.04 120.40 108.46 2yua s VAL 25 Ca 0.00 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 2yua s VAL 25 Cb 0.00 -0.54 0.03 0.00 0.56 0.00 0.00 36.38 36.43 2yua s VAL 25 CO 0.00 -0.24 1.10 -2.16 -0.31 0.00 0.00 175.10 173.49 2yua s PRO 26 N -1.18 2.46 0.00 4.82 0.04 -1.26 -4.51 135.00 135.38 2yua s PRO 26 Ca -0.07 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.31 2yua s PRO 26 Cb -0.08 -1.92 0.39 0.00 0.04 0.00 0.00 34.50 32.94 2yua s PRO 26 CO 0.00 -1.49 1.13 -1.13 0.04 0.00 0.00 177.00 175.55 2yua n SER 27 N -3.10 0.00 -0.48 6.66 3.41 -1.26 -0.84 113.62 118.01 2yua n SER 27 Ca 0.10 0.21 0.10 0.00 -0.26 0.00 0.00 58.87 59.01 2yua n SER 27 Cb 0.53 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2yua n SER 27 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2yua n THR 28 N -1.31 0.00 -0.64 6.66 -2.24 -1.26 -5.00 114.28 110.49 2yua n THR 28 Ca 0.04 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 2yua n THR 28 Cb 0.07 1.25 0.19 0.00 -2.10 0.00 0.00 70.33 69.73 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua n ALA 29 N 0.05 -2.85 -2.46 6.98 0.00 -0.02 -5.04 120.51 117.17 2yua n ALA 29 Ca 0.08 -0.98 -0.27 0.00 0.00 0.00 0.00 53.44 52.28 2yua n ALA 29 Cb 0.42 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 2yua n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2yua s THR 30 N -2.39 1.74 0.21 0.00 -1.32 -1.26 -4.94 115.64 107.67 2yua s THR 30 Ca 0.62 -1.62 -0.10 0.00 -1.21 0.00 0.00 61.69 59.39 2yua s THR 30 Cb -0.20 -2.36 0.15 0.00 -1.51 0.00 0.00 72.50 68.58 2yua s THR 30 CO 0.65 0.00 1.74 -0.61 -2.21 0.00 0.00 174.62 174.19 2yua h GLN 31 N 1.01 0.37 -0.74 7.08 5.75 -1.97 0.01 115.11 126.62 2yua h GLN 31 Ca -0.40 -0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.24 2yua h GLN 31 Cb 1.29 -0.08 -0.11 0.00 1.07 0.00 0.00 27.48 29.65 2yua h GLN 31 CO 0.63 0.25 0.21 0.00 -2.65 0.00 0.00 178.83 177.26 2yua h ALA 32 N 1.42 0.98 0.34 3.38 0.00 -1.98 0.12 119.26 123.52 2yua h ALA 32 Ca 0.31 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2yua h ALA 32 Cb 0.39 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2yua h ALA 32 CO -0.32 -0.31 -0.17 1.96 0.00 0.00 0.00 179.25 180.42 2yua h GLN 33 N 0.31 -0.44 -0.48 0.00 1.08 -1.67 -1.08 115.11 112.83 2yua h GLN 33 Ca 0.41 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.78 2yua h GLN 33 Cb 0.69 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 2yua h GLN 33 CO -0.48 -0.30 0.75 0.82 -0.95 0.00 0.00 178.83 178.68 2yua h ILE 34 N -1.05 0.13 0.08 2.54 2.04 -0.82 0.36 117.51 120.79 2yua h ILE 34 Ca -0.05 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.53 2yua h ILE 34 Cb 0.35 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2yua h ILE 34 CO 0.08 0.00 -1.49 0.50 0.00 0.00 0.00 178.15 177.24 2yua h LYS 35 N 0.00 0.17 0.00 2.37 3.64 -0.74 -3.25 116.57 118.76 2yua h LYS 35 Ca 0.23 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2yua h LYS 35 Cb 1.73 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 2yua h LYS 35 CO -0.00 1.14 -0.28 0.00 -2.27 0.00 0.00 179.45 178.03 2yua h ALA 36 N -0.15 1.51 0.52 5.00 0.00 0.86 -3.11 119.26 123.90 2yua h ALA 36 Ca -0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2yua h ALA 36 Cb 1.67 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2yua h ALA 36 CO -0.02 0.35 -0.25 0.00 0.00 0.00 0.00 179.25 179.33 2yua h ALA 37 N 1.72 -0.72 -1.36 0.00 0.00 -0.64 -0.45 119.26 117.81 2yua h ALA 37 Ca -0.00 -0.15 0.42 0.00 0.00 0.00 0.00 54.91 55.17 2yua h ALA 37 Cb 0.51 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 2yua h ALA 37 CO 0.04 -0.67 0.91 -0.92 0.00 0.00 0.00 179.25 178.60 2yua h TYR 38 N -1.15 0.41 0.06 0.00 3.20 -1.58 1.15 116.97 119.06 2yua h TYR 38 Ca -0.07 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.55 2yua h TYR 38 Cb 0.54 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2yua h TYR 38 CO 0.01 -0.11 -1.32 1.88 -1.64 0.00 0.00 178.16 176.97 2yua h TYR 39 N 0.11 0.22 -0.88 -3.82 0.05 -1.51 -3.29 116.97 107.84 2yua h TYR 39 Ca 0.78 -0.16 0.10 0.00 0.05 0.00 0.00 58.73 59.50 2yua h TYR 39 Cb 2.56 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 40.21 2yua h TYR 39 CO -0.00 1.16 0.52 0.00 -1.05 0.00 0.00 178.16 178.79 2yua h ARG 40 N 0.03 0.83 -0.29 4.88 2.47 0.31 -2.03 114.38 120.59 2yua h ARG 40 Ca -0.15 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 2yua h ARG 40 Cb 1.92 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 30.04 2yua h ARG 40 CO 0.14 0.55 -0.05 1.96 0.56 0.00 0.00 179.97 183.13 2yua h GLN 41 N 0.86 0.54 -0.98 0.04 1.08 -1.54 -3.09 115.11 112.01 2yua h GLN 41 Ca 0.43 -0.20 0.31 0.00 -1.45 0.00 0.00 58.65 57.74 2yua h GLN 41 Cb 0.39 -0.04 -0.18 0.00 -0.05 0.00 0.00 27.48 27.61 2yua h GLN 41 CO -0.25 0.73 0.17 0.00 -0.95 0.00 0.00 178.83 178.53 2yua h PHE 43 N 0.00 0.93 0.00 0.00 3.04 -1.51 -2.88 116.94 116.52 2yua h PHE 43 Ca 0.66 -0.25 -0.07 0.00 3.98 0.00 0.00 57.97 62.29 2yua h PHE 43 Cb 1.51 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 2yua h PHE 43 CO -0.35 1.02 -0.34 -0.07 -2.02 0.00 0.00 178.31 176.54 2yua h LEU 44 N 0.67 0.00 -7.13 0.59 3.38 0.18 -3.39 115.31 109.60 2yua h LEU 44 Ca 0.07 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.52 2yua h LEU 44 Cb 0.88 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.22 2yua h LEU 44 CO 0.08 0.34 -0.76 -0.31 0.09 0.00 0.00 178.44 177.87 2yua s TYR 45 N -4.00 0.85 0.28 1.13 1.51 0.80 -5.06 117.35 112.86 2yua s TYR 45 Ca -0.02 -0.89 0.09 0.00 -1.01 0.00 0.00 57.07 55.24 2yua s TYR 45 Cb 0.13 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2yua s TYR 45 CO 0.69 -0.67 0.07 -1.01 -1.11 0.00 0.00 175.55 173.53 2yua s HIS 46 N 1.92 2.81 0.18 2.71 3.76 -1.23 -4.51 115.29 120.93 2yua s HIS 46 Ca 0.03 -0.22 0.28 0.00 -0.15 0.00 0.00 55.06 55.00 2yua s HIS 46 Cb -0.17 -1.33 1.20 0.00 1.11 0.00 0.00 32.58 33.39 2yua s HIS 46 CO -0.15 0.54 1.93 -1.00 -0.85 0.00 0.00 174.74 175.21 2yua h PRO 47 N 1.72 0.00 0.00 8.40 0.13 -2.00 -3.07 132.00 137.19 2yua h PRO 47 Ca -0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 2yua h PRO 47 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2yua h PRO 47 CO 0.61 0.13 -2.10 -0.40 -0.23 0.00 0.00 178.00 176.00 2yua n ASP 48 N -3.32 1.93 -0.28 1.44 5.75 -1.26 -3.65 116.55 117.16 2yua n ASP 48 Ca -0.00 0.36 0.08 0.00 -0.01 0.00 0.00 54.79 55.21 2yua n ASP 48 Cb 0.35 -0.86 0.20 0.00 -1.03 0.00 0.00 41.12 39.77 2yua n ASP 48 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2yua h ARG 49 N -0.97 0.09 0.00 0.11 2.47 -1.98 1.00 114.38 115.10 2yua h ARG 49 Ca -0.58 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.10 2yua h ARG 49 Cb 1.52 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.82 2yua h ARG 49 CO -0.34 0.06 -0.14 -0.91 0.56 0.00 0.00 179.97 179.19 2yua h ASN 50 N 0.09 0.00 -6.53 7.04 2.35 -1.75 -3.47 115.58 113.31 2yua h ASN 50 Ca 0.47 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.77 2yua h ASN 50 Cb 0.86 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.08 2yua h ASN 50 CO -0.73 0.14 -0.70 -1.20 -1.65 0.00 0.00 177.43 173.29 2yua n SER 51 N -3.19 0.54 -0.53 5.81 7.64 0.35 -4.02 113.62 120.20 2yua n SER 51 Ca 0.02 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.97 2yua n SER 51 Cb 0.48 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2yua n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yua n GLY 52 N -2.13 -0.91 3.24 0.23 0.00 -1.26 -5.09 105.19 99.26 2yua n GLY 52 Ca -0.23 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.23 -0.12 1.61 0.15 -1.26 -5.06 113.70 108.79 2yua s SER 53 Ca 0.00 0.24 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2yua s SER 53 Cb 0.00 0.41 -0.26 0.00 -1.71 0.00 0.00 66.02 64.46 2yua s SER 53 CO 0.00 -0.37 0.44 0.00 1.20 0.00 0.00 173.24 174.52 2yua h ALA 54 N 4.29 0.29 -0.42 5.45 0.00 -1.99 -3.10 119.26 123.78 2yua h ALA 54 Ca -0.29 -1.24 -0.01 0.00 0.00 0.00 0.00 54.91 53.38 2yua h ALA 54 Cb 1.18 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2yua h ALA 54 CO 0.37 1.03 0.24 0.93 0.00 0.00 0.00 179.25 181.82 2yua h GLU 55 N -0.20 0.58 -0.05 0.00 5.08 -2.01 -3.05 114.58 114.92 2yua h GLU 55 Ca -0.37 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2yua h GLU 55 Cb 1.85 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 2yua h GLU 55 CO 0.05 0.45 -0.00 0.00 -1.00 0.00 0.00 179.01 178.51 2yua h ALA 56 N 1.10 0.07 -0.25 3.43 0.00 -2.00 -3.10 119.26 118.52 2yua h ALA 56 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2yua h ALA 56 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2yua h ALA 56 CO -0.03 -0.25 -0.15 0.00 0.00 0.00 0.00 179.25 178.83 2yua n ALA 57 N -2.27 -0.16 -0.03 0.00 0.00 -1.16 -0.22 120.51 116.66 2yua n ALA 57 Ca -0.07 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2yua n ALA 57 Cb 0.19 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2yua n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yua h GLU 58 N 0.00 -0.28 -0.84 0.00 4.39 -1.62 -2.52 114.58 113.72 2yua h GLU 58 Ca 0.04 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.84 2yua h GLU 58 Cb 0.10 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.71 2yua h GLU 58 CO -0.23 -0.18 -0.53 -0.09 -1.16 0.00 0.00 179.01 176.82 2yua h ARG 59 N -0.29 -0.04 -0.93 2.33 2.43 -1.30 0.16 114.38 116.75 2yua h ARG 59 Ca 0.02 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.37 2yua h ARG 59 Cb 0.36 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 29.74 2yua h ARG 59 CO -0.27 -0.03 -0.26 0.34 -1.51 0.00 0.00 179.97 178.25 2yua n PHE 60 N -5.03 0.26 -0.04 2.20 7.35 0.69 0.31 117.46 123.20 2yua n PHE 60 Ca 0.01 1.14 -0.08 0.00 -0.76 0.00 0.00 57.45 57.76 2yua n PHE 60 Cb 0.24 -0.99 -0.02 0.00 0.35 0.00 0.00 39.48 39.06 2yua n PHE 60 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2yua h THR 61 N 0.00 0.56 0.05 -2.13 2.02 -0.30 -2.05 112.91 111.05 2yua h THR 61 Ca 0.42 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 2yua h THR 61 Cb 0.65 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2yua h THR 61 CO -0.95 0.00 -0.02 0.03 0.37 0.00 0.00 175.52 174.95 2yua h ARG 62 N -0.15 -0.06 -0.76 6.66 3.08 0.25 -3.03 114.38 120.36 2yua h ARG 62 Ca 0.13 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.32 2yua h ARG 62 Cb 0.34 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.27 2yua h ARG 62 CO -0.31 0.05 -0.30 0.82 -1.07 0.00 0.00 179.97 179.17 2yua h ILE 63 N -0.16 0.14 -0.73 2.04 2.04 -0.26 0.28 117.51 120.86 2yua h ILE 63 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 2yua h ILE 63 Cb 0.14 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.28 2yua h ILE 63 CO 0.01 0.00 0.32 -1.28 0.00 0.00 0.00 178.15 177.20 2yua h SER 64 N -0.07 0.37 -0.46 1.72 0.87 -1.27 -1.70 113.55 113.01 2yua h SER 64 Ca 0.32 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 61.05 2yua h SER 64 Cb 0.58 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.49 2yua h SER 64 CO -0.81 0.18 -0.08 1.56 -0.53 0.00 0.00 176.83 177.15 2yua h GLN 65 N 0.52 0.03 -0.81 2.24 4.20 -0.34 0.10 115.11 121.05 2yua h GLN 65 Ca 0.38 -0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.28 2yua h GLN 65 Cb 0.49 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2yua h GLN 65 CO -0.33 0.02 0.55 0.00 -0.67 0.00 0.00 178.83 178.40 2yua h ALA 66 N 1.44 2.37 -0.16 3.87 0.00 -0.92 0.53 119.26 126.38 2yua h ALA 66 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2yua h ALA 66 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2yua h ALA 66 CO -0.44 -0.61 0.00 0.98 0.00 0.00 0.00 179.25 179.18 2yua n TYR 67 N -4.43 0.56 0.01 0.00 9.36 0.34 -3.37 117.16 119.64 2yua n TYR 67 Ca 0.17 -0.19 -0.00 0.00 3.32 0.00 0.00 57.90 61.19 2yua n TYR 67 Cb 0.70 -0.20 -0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.17 0.50 -0.16 2.97 0.31 0.18 -3.93 118.33 118.37 2yua n VAL 68 Ca 0.08 0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.63 2yua n VAL 68 Cb 0.50 -1.29 0.34 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.04 1.08 0.00 2.52 2.07 -1.69 -2.47 116.25 117.73 2yua h VAL 69 Ca 0.00 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 2yua h VAL 69 Cb 0.04 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2yua h VAL 69 CO 0.00 0.14 -1.77 0.18 0.02 0.00 0.00 177.57 176.15 2yua n LEU 70 N -4.46 0.39 0.00 2.57 4.77 -1.22 -2.65 117.00 116.41 2yua n LEU 70 Ca 0.09 0.17 0.22 0.00 -0.03 0.00 0.00 56.01 56.45 2yua n LEU 70 Cb 0.15 0.13 0.58 0.00 -2.33 0.00 0.00 43.42 41.95 2yua n LEU 70 CO 0.35 0.14 1.20 1.23 -1.33 0.00 0.00 177.39 178.97 2yua h GLY 71 N 3.91 0.00 -5.90 -0.72 0.00 -1.56 -3.37 103.07 95.42 2yua h GLY 71 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.74 2yua h GLY 71 CO 0.02 0.00 -0.78 -0.56 0.00 0.00 0.00 176.54 175.22 2yua s SER 72 N -4.30 1.05 0.07 0.19 0.01 -1.24 -5.00 113.70 104.48 2yua s SER 72 Ca -0.03 -0.16 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 2yua s SER 72 Cb 0.13 -0.41 -0.12 0.00 0.21 0.00 0.00 66.02 65.83 2yua s SER 72 CO 0.46 0.00 1.43 0.00 0.41 0.00 0.00 173.24 175.54 2yua h ALA 73 N 6.81 -0.98 -0.72 1.44 0.00 -1.88 -2.70 119.26 121.24 2yua h ALA 73 Ca -0.35 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.54 2yua h ALA 73 Cb 1.16 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 19.58 2yua h ALA 73 CO 0.48 -1.04 -0.30 2.41 0.00 0.00 0.00 179.25 180.79 2yua n THR 74 N -4.82 -0.40 -0.02 0.00 -1.04 -1.26 -0.42 114.28 106.32 2yua n THR 74 Ca -0.08 1.69 -0.09 0.00 -2.04 0.00 0.00 64.05 63.53 2yua n THR 74 Cb 0.34 -2.20 -0.06 0.00 -1.82 0.00 0.00 70.33 66.59 2yua n THR 74 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2yua h LEU 75 N 0.00 -1.03 -0.73 -4.42 3.38 -1.72 -0.81 115.31 109.98 2yua h LEU 75 Ca 0.23 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.46 2yua h LEU 75 Cb 0.40 0.41 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2yua h LEU 75 CO -0.70 -0.28 -0.20 0.54 0.09 0.00 0.00 178.44 177.89 2yua n ARG 76 N -4.26 -0.09 0.08 1.13 1.74 0.44 0.95 116.66 116.65 2yua n ARG 76 Ca -0.03 1.13 -0.13 0.00 -0.77 0.00 0.00 57.85 58.05 2yua n ARG 76 Cb 0.22 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 2yua n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yua h ARG 77 N 0.00 -0.14 -0.85 5.56 3.08 -1.05 -2.85 114.38 118.13 2yua h ARG 77 Ca 0.33 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.55 2yua h ARG 77 Cb 0.51 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 30.44 2yua h ARG 77 CO -0.74 0.03 -0.27 0.87 -1.07 0.00 0.00 179.97 178.78 2yua h LYS 78 N -0.29 -0.03 -0.67 0.04 1.57 0.20 0.42 116.57 117.81 2yua h LYS 78 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2yua h LYS 78 Cb 0.24 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2yua h LYS 78 CO 0.03 -0.02 0.40 -0.92 -0.57 0.00 0.00 179.45 178.37 2yua h TYR 79 N -0.03 0.74 0.00 -1.35 3.20 -1.24 0.36 116.97 118.65 2yua h TYR 79 Ca 0.37 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 2yua h TYR 79 Cb 0.61 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2yua h TYR 79 CO -0.71 0.39 -0.06 0.22 -1.64 0.00 0.00 178.16 176.36 2yua h ASP 80 N 0.76 0.00 -0.24 -2.11 1.82 -0.02 -0.93 116.42 115.70 2yua h ASP 80 Ca 0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2yua h ASP 80 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2yua h ASP 80 CO -0.14 0.06 0.00 0.54 -1.61 0.00 0.00 179.24 178.09 2yua n ARG 81 N -3.52 2.16 -0.89 0.28 5.12 -0.10 -4.94 116.66 114.77 2yua n ARG 81 Ca -0.02 -2.00 0.00 0.00 -1.93 0.00 0.00 57.85 53.90 2yua n ARG 81 Cb 0.18 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.22 0.47 0.21 -0.13 0.00 0.46 -4.84 105.19 102.59 2yua n GLY 82 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 -9.08 0.99 3.38 -0.67 -3.43 115.31 106.49 2yua h LEU 83 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2yua h LEU 83 Cb 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 2yua h LEU 83 CO 0.00 0.18 0.20 -0.22 0.09 0.00 0.00 178.44 178.69 2yua s LEU 84 N -6.42 4.12 0.00 1.67 2.96 -1.02 -4.90 118.68 115.08 2yua s LEU 84 Ca 0.03 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2yua s LEU 84 Cb 0.08 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 2yua s LEU 84 CO 0.66 -0.34 0.10 -1.20 -1.32 0.00 0.00 176.35 174.25 2yua n SER 85 N 5.34 1.07 -0.28 3.68 7.64 -1.26 -4.71 113.62 125.10 2yua n SER 85 Ca 0.00 -2.46 0.05 0.00 1.01 0.00 0.00 58.87 57.47 2yua n SER 85 Cb 0.49 0.71 0.19 0.00 -1.01 0.00 0.00 64.21 64.59 2yua n SER 85 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2yua h ASP 86 N 1.11 0.51 -0.99 6.43 2.03 -1.99 -1.09 116.42 122.42 2yua h ASP 86 Ca -0.21 0.08 0.36 0.00 -0.73 0.00 0.00 57.03 56.52 2yua h ASP 86 Cb 0.82 -0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.15 2yua h ASP 86 CO 0.33 0.25 0.49 -0.33 -1.03 0.00 0.00 179.24 178.95 2yua h GLU 87 N 0.63 0.14 0.08 4.15 3.07 -1.99 0.52 114.58 121.18 2yua h GLU 87 Ca 0.42 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2yua h GLU 87 Cb 0.54 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2yua h GLU 87 CO -0.33 0.09 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.89 2yua h ASP 88 N 0.14 -0.09 -0.91 1.42 3.32 -1.60 -3.31 116.42 115.39 2yua h ASP 88 Ca 0.76 -0.50 0.26 0.00 0.02 0.00 0.00 57.03 57.57 2yua h ASP 88 Cb 1.87 0.02 -0.16 0.00 0.22 0.00 0.00 39.33 41.28 2yua h ASP 88 CO -0.71 0.57 0.18 -0.07 -1.72 0.00 0.00 179.24 177.50 2yua h LEU 89 N -0.88 -0.14 -0.94 1.55 3.38 -0.74 0.21 115.31 117.75 2yua h LEU 89 Ca -0.01 0.23 0.24 0.00 0.09 0.00 0.00 57.88 58.42 2yua h LEU 89 Cb 0.59 0.34 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 2yua h LEU 89 CO 0.02 -0.24 -0.03 0.03 0.09 0.00 0.00 178.44 178.30 2yua h ARG 90 N 0.12 0.03 0.00 1.13 3.08 -1.21 -3.47 114.38 114.06 2yua h ARG 90 Ca 0.58 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 2yua h ARG 90 Cb 1.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2yua h ARG 90 CO -0.75 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 178.58 2yua n GLY 91 N -1.51 3.04 0.24 0.04 0.00 0.72 -4.91 105.19 102.81 2yua n GLY 91 Ca 0.20 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 2yua n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua h PRO 92 N 0.00 0.71 -2.56 1.61 0.13 -1.91 -3.47 132.00 126.51 2yua h PRO 92 Ca 0.00 -0.37 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2yua h PRO 92 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.01 2yua h PRO 92 CO 0.00 0.98 0.39 0.20 -0.23 0.00 0.00 178.00 179.34 2yua s GLY 93 N -3.98 -0.47 -0.24 1.56 0.00 -1.26 -5.08 107.32 97.85 2yua s GLY 93 Ca -0.09 0.68 -0.15 0.00 0.00 0.00 0.00 44.72 45.16 2yua s GLY 93 CO 0.85 0.22 -0.35 -1.26 0.00 0.00 0.00 173.10 172.55 2yua n SER 94 N -0.32 1.94 0.00 1.64 2.88 -1.26 -5.08 113.62 113.42 2yua n SER 94 Ca -0.11 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2yua n SER 94 Cb 0.63 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2yua n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yua n GLY 95 N 1.33 0.43 3.77 0.46 0.00 -1.26 -5.13 105.19 104.79 2yua n GLY 95 Ca -0.41 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 2yua n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 96 N 0.00 3.89 0.07 1.61 0.04 -1.26 -5.06 135.00 134.29 2yua s PRO 96 Ca 0.00 1.83 0.06 0.00 0.04 0.00 0.00 61.00 62.93 2yua s PRO 96 Cb 0.00 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 2yua s PRO 96 CO 0.00 -0.46 -0.16 0.45 0.04 0.00 0.00 177.00 176.88 2yua s SER 97 N -1.22 1.85 -0.16 6.66 0.15 -1.26 -5.15 113.70 114.56 2yua s SER 97 Ca 0.61 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 2yua s SER 97 Cb -0.30 -0.07 0.04 0.00 -1.71 0.00 0.00 66.02 63.98 2yua s SER 97 CO 0.37 -0.04 0.45 -0.55 1.20 0.00 0.00 173.24 174.68 2yua s SER 98 N -1.70 -0.47 0.00 5.45 0.15 -1.26 -5.34 113.70 110.54 2yua s SER 98 Ca 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2yua s SER 98 Cb -0.10 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2yua s SER 98 CO 0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.90