#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 -0.29 -0.31 1.61 0.15 -1.26 -5.14 113.70 108.47 2yua s SER 2 Ca 0.00 0.45 -0.05 0.00 0.70 0.00 0.00 55.95 57.05 2yua s SER 2 Cb 0.00 1.13 0.03 0.00 -1.71 0.00 0.00 66.02 65.47 2yua s SER 2 CO 0.00 -0.07 0.06 -0.55 1.20 0.00 0.00 173.24 173.88 2yua s SER 3 N 1.23 5.06 0.00 5.45 0.15 -1.26 -4.98 113.70 119.34 2yua s SER 3 Ca -0.08 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2yua s SER 3 Cb -0.03 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2yua s SER 3 CO -0.12 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2yua n GLY 4 N 4.78 0.52 3.68 9.45 0.00 -1.26 -5.19 105.19 117.18 2yua n GLY 4 Ca -0.14 0.56 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 2yua n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 5 N 0.00 4.16 -0.20 1.61 0.01 -1.26 -5.15 113.70 112.86 2yua s SER 5 Ca 0.00 -1.23 -0.32 0.00 1.31 0.00 0.00 55.95 55.71 2yua s SER 5 Cb 0.00 -0.41 0.15 0.00 0.21 0.00 0.00 66.02 65.97 2yua s SER 5 CO 0.00 -0.51 1.19 -0.55 0.41 0.00 0.00 173.24 173.78 2yua s SER 6 N -3.82 -0.17 0.00 2.44 0.15 -1.26 -5.18 113.70 105.87 2yua s SER 6 Ca 0.37 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2yua s SER 6 Cb 0.07 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2yua s SER 6 CO 0.20 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2yua n GLY 7 N 0.25 4.44 3.99 9.45 0.00 -1.26 -5.15 105.19 116.91 2yua n GLY 7 Ca -0.02 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 2yua n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 8 N 0.00 5.49 0.17 1.61 1.04 -1.26 -5.02 113.70 115.73 2yua s SER 8 Ca 0.00 -0.18 -0.31 0.00 0.48 0.00 0.00 55.95 55.94 2yua s SER 8 Cb 0.00 -0.83 -0.17 0.00 0.10 0.00 0.00 66.02 65.12 2yua s SER 8 CO 0.00 -0.93 0.87 0.00 0.98 0.00 0.00 173.24 174.16 2yua n GLN 9 N -2.09 0.52 0.00 4.02 10.64 -1.26 -4.71 117.38 124.50 2yua n GLN 9 Ca 0.07 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 2yua n GLN 9 Cb 0.59 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2yua n GLY 10 N 1.79 -2.25 3.86 2.61 0.00 -1.26 -5.16 105.19 104.79 2yua n GLY 10 Ca 0.16 0.77 -0.21 0.00 0.00 0.00 0.00 46.02 46.74 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 2.00 4.98 0.53 1.61 1.01 -1.26 -5.07 116.67 120.47 2yua s ASP 11 Ca 0.00 -0.78 -0.15 0.00 0.71 0.00 0.00 52.55 52.32 2yua s ASP 11 Cb 0.00 -0.55 -0.13 0.00 1.01 0.00 0.00 42.92 43.25 2yua s ASP 11 CO 0.00 -0.65 -0.24 0.00 0.21 0.00 0.00 175.17 174.49 2yua s SER 13 N -0.85 6.72 0.20 0.00 0.01 -1.26 -4.99 113.70 113.53 2yua s SER 13 Ca 0.45 0.86 -0.14 0.00 1.31 0.00 0.00 55.95 58.43 2yua s SER 13 Cb -0.36 -2.25 0.20 0.00 0.21 0.00 0.00 66.02 63.82 2yua s SER 13 CO 0.60 0.21 1.65 0.10 0.41 0.00 0.00 173.24 176.20 2yua h TYR 14 N 5.53 -0.22 -6.40 2.43 -0.00 -2.04 -3.44 116.97 112.83 2yua h TYR 14 Ca -0.47 0.05 -0.48 0.00 -0.00 0.00 0.00 58.73 57.82 2yua h TYR 14 Cb 1.20 0.18 -0.24 0.00 -0.00 0.00 0.00 36.73 37.87 2yua h TYR 14 CO 0.67 -0.21 -0.72 -1.13 -0.00 0.00 0.00 178.16 176.77 2yua n SER 15 N -5.35 -0.51 0.13 0.10 3.41 -1.26 -4.78 113.62 105.37 2yua n SER 15 Ca 0.06 -0.97 -0.22 0.00 -0.26 0.00 0.00 58.87 57.47 2yua n SER 15 Cb 0.30 -1.23 -0.15 0.00 -0.26 0.00 0.00 64.21 62.86 2yua n SER 15 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2yua h ARG 16 N -0.87 0.46 -1.06 4.33 3.08 -2.05 -3.31 114.38 114.96 2yua h ARG 16 Ca -0.48 -0.79 -0.62 0.00 0.07 0.00 0.00 59.98 58.15 2yua h ARG 16 Cb 1.08 0.30 -0.27 0.00 0.08 0.00 0.00 29.97 31.15 2yua h ARG 16 CO 0.63 1.38 0.80 0.25 -1.07 0.00 0.00 179.97 181.96 2yua n THR 17 N -3.66 3.48 -0.06 2.04 -2.24 -1.26 -4.54 114.28 108.04 2yua n THR 17 Ca -0.15 -2.67 -0.04 0.00 -2.27 0.00 0.00 64.05 58.92 2yua n THR 17 Cb 1.08 -1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua h ALA 18 N 1.84 0.00 -0.13 6.98 0.00 -1.95 -2.96 119.26 123.04 2yua h ALA 18 Ca 0.57 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2yua h ALA 18 Cb 1.02 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2yua h ALA 18 CO 1.45 0.39 0.68 -0.07 0.00 0.00 0.00 179.25 181.69 2yua h LEU 19 N -0.95 0.00 0.00 0.00 3.38 -1.84 1.44 115.31 117.34 2yua h LEU 19 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2yua h LEU 19 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2yua h LEU 19 CO 0.00 0.00 -1.89 -1.22 0.09 0.00 0.00 178.44 175.42 2yua n TYR 20 N -2.85 0.47 0.13 1.13 4.02 -1.26 -4.18 117.16 114.62 2yua n TYR 20 Ca 0.02 0.16 -0.21 0.00 -0.01 0.00 0.00 57.90 57.86 2yua n TYR 20 Cb 0.74 -0.97 -0.15 0.00 -0.02 0.00 0.00 39.34 38.94 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 0.67 -0.68 7.72 1.82 0.20 0.92 116.42 127.07 2yua h ASP 21 Ca -0.29 -0.71 0.08 0.00 -0.39 0.00 0.00 57.03 55.72 2yua h ASP 21 Cb 1.77 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 41.52 2yua h ASP 21 CO 0.04 1.55 0.45 -0.07 -1.61 0.00 0.00 179.24 179.60 2yua h LEU 22 N 0.13 0.56 0.06 2.28 4.07 -0.88 -2.96 115.31 118.56 2yua h LEU 22 Ca -0.20 0.01 -0.37 0.00 0.08 0.00 0.00 57.88 57.40 2yua h LEU 22 Cb 2.07 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 43.66 2yua h LEU 22 CO 0.24 0.35 -2.13 0.18 -1.08 0.00 0.00 178.44 176.00 2yua n LEU 23 N -4.48 2.62 0.00 1.67 4.32 -1.24 -5.02 117.00 114.87 2yua n LEU 23 Ca 0.11 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 2yua n LEU 23 Cb 0.29 -1.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 2yua n LEU 23 CO 0.33 0.80 0.00 0.61 -1.22 0.00 0.00 177.39 177.92 2yua n GLY 24 N 1.97 1.74 3.61 -0.72 0.00 0.22 -4.87 105.19 107.14 2yua n GLY 24 Ca -0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 3.60 0.93 1.61 -7.23 -0.63 -5.02 120.40 111.66 2yua s VAL 25 Ca 0.00 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 2yua s VAL 25 Cb 0.00 -2.67 0.15 0.00 0.56 0.00 0.00 36.38 34.42 2yua s VAL 25 CO 0.00 0.17 1.09 -2.16 -0.31 0.00 0.00 175.10 173.89 2yua s PRO 26 N -2.08 0.97 0.51 4.82 0.04 -1.26 -4.62 135.00 133.38 2yua s PRO 26 Ca 0.22 0.72 0.34 0.00 0.04 0.00 0.00 61.00 62.32 2yua s PRO 26 Cb -0.11 -1.78 1.55 0.00 0.04 0.00 0.00 34.50 34.19 2yua s PRO 26 CO 0.14 -2.41 2.01 1.03 0.04 0.00 0.00 177.00 177.80 2yua h SER 27 N -1.67 0.00 -0.30 6.66 0.87 -2.00 -1.95 113.55 115.16 2yua h SER 27 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2yua h SER 27 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2yua h SER 27 CO 0.55 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.92 2yua n THR 28 N -2.88 2.10 -0.55 2.23 5.66 -1.26 -5.04 114.28 114.54 2yua n THR 28 Ca -0.00 -1.70 -0.25 0.00 -3.05 0.00 0.00 64.05 59.05 2yua n THR 28 Cb 0.22 -0.13 0.18 0.00 -1.55 0.00 0.00 70.33 69.04 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua n ALA 29 N -0.24 -2.67 -2.44 1.79 0.00 -0.74 -5.02 120.51 111.18 2yua n ALA 29 Ca 0.20 -1.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.12 2yua n ALA 29 Cb 0.84 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.14 2.09 0.25 0.00 -1.32 -1.26 -4.95 115.64 108.31 2yua s THR 30 Ca 0.48 -1.74 -0.03 0.00 -1.21 0.00 0.00 61.69 59.18 2yua s THR 30 Cb -0.09 -1.88 0.38 0.00 -1.51 0.00 0.00 72.50 69.40 2yua s THR 30 CO 0.50 -0.00 1.34 0.00 -2.21 0.00 0.00 174.62 174.25 2yua n GLN 31 N 0.84 -0.07 -0.22 7.08 1.13 -1.26 0.15 117.38 125.03 2yua n GLN 31 Ca -0.17 1.32 0.02 0.00 -1.94 0.00 0.00 57.00 56.22 2yua n GLN 31 Cb 0.54 -2.02 0.13 0.00 0.11 0.00 0.00 30.24 29.00 2yua n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yua h ALA 32 N 1.72 0.84 0.19 -1.58 0.00 -1.99 -0.63 119.26 117.81 2yua h ALA 32 Ca 0.46 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2yua h ALA 32 Cb 0.81 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2yua h ALA 32 CO -0.85 -0.24 -0.09 1.96 0.00 0.00 0.00 179.25 180.03 2yua h GLN 33 N 0.36 -0.24 -1.74 0.00 4.20 0.99 -0.95 115.11 117.74 2yua h GLN 33 Ca 0.34 0.02 0.50 0.00 0.06 0.00 0.00 58.65 59.57 2yua h GLN 33 Cb 0.49 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 2yua h GLN 33 CO -0.37 -0.16 1.36 0.82 -0.67 0.00 0.00 178.83 179.81 2yua h ILE 34 N -0.53 0.02 0.00 2.54 2.04 -0.98 0.17 117.51 120.77 2yua h ILE 34 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2yua h ILE 34 Cb 0.19 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2yua h ILE 34 CO 0.04 0.00 -0.07 0.50 0.00 0.00 0.00 178.15 178.62 2yua h LYS 35 N 0.00 0.00 -0.98 2.37 3.64 -1.12 -3.20 116.57 117.29 2yua h LYS 35 Ca 0.82 0.00 0.32 0.00 -1.27 0.00 0.00 60.65 60.52 2yua h LYS 35 Cb 3.54 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 35.20 2yua h LYS 35 CO -0.01 0.00 0.46 0.00 -2.27 0.00 0.00 179.45 177.63 2yua h ALA 36 N -1.65 1.81 0.28 5.00 0.00 0.11 0.13 119.26 124.94 2yua h ALA 36 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2yua h ALA 36 Cb 0.07 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2yua h ALA 36 CO 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 179.25 178.49 2yua h ALA 37 N 1.87 -0.38 -0.31 0.00 0.00 -0.88 -1.91 119.26 117.65 2yua h ALA 37 Ca 0.71 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.62 2yua h ALA 37 Cb 1.64 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2yua h ALA 37 CO -0.67 -0.70 0.42 -0.92 0.00 0.00 0.00 179.25 177.38 2yua h TYR 38 N -0.41 0.00 0.00 0.00 3.20 -0.75 -2.56 116.97 116.45 2yua h TYR 38 Ca -0.04 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2yua h TYR 38 Cb 0.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2yua h TYR 38 CO -0.05 0.00 -0.00 1.88 -1.64 0.00 0.00 178.16 178.35 2yua h TYR 39 N 0.00 -0.01 -1.30 -3.82 -1.99 -0.85 -3.26 116.97 105.74 2yua h TYR 39 Ca 0.15 -0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.26 2yua h TYR 39 Cb 0.98 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.66 2yua h TYR 39 CO 0.00 -0.00 1.21 2.89 -0.00 0.00 0.00 178.16 182.25 2yua n ARG 40 N -2.17 0.01 0.16 4.88 1.85 -0.81 -0.37 116.66 120.21 2yua n ARG 40 Ca -0.00 0.97 -0.06 0.00 -1.00 0.00 0.00 57.85 57.75 2yua n ARG 40 Cb 0.00 -2.34 -0.03 0.00 -1.05 0.00 0.00 32.46 29.05 2yua n ARG 40 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2yua h GLN 41 N 0.00 -0.40 -1.76 2.89 1.08 -1.56 -3.03 115.11 112.32 2yua h GLN 41 Ca 0.62 0.03 0.52 0.00 -1.45 0.00 0.00 58.65 58.37 2yua h GLN 41 Cb 3.03 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 30.46 2yua h GLN 41 CO -0.01 -0.27 1.25 0.00 -0.95 0.00 0.00 178.83 178.85 2yua h PHE 43 N 0.01 0.49 -0.13 0.00 3.04 -1.44 -2.75 116.94 116.15 2yua h PHE 43 Ca 0.87 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 62.78 2yua h PHE 43 Cb 3.38 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 41.76 2yua h PHE 43 CO -0.00 0.62 0.11 -0.07 -2.02 0.00 0.00 178.31 176.94 2yua h LEU 44 N 0.22 0.00 -7.09 0.59 3.38 0.11 -3.32 115.31 109.20 2yua h LEU 44 Ca 0.07 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.43 2yua h LEU 44 Cb 0.42 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.77 2yua h LEU 44 CO 0.01 0.00 -0.73 -0.31 0.09 0.00 0.00 178.44 177.50 2yua s TYR 45 N -4.92 2.13 0.18 1.13 1.51 -1.04 -5.10 117.35 111.23 2yua s TYR 45 Ca -0.05 -2.40 0.04 0.00 -1.01 0.00 0.00 57.07 53.65 2yua s TYR 45 Cb 0.17 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 2yua s TYR 45 CO 0.64 -0.81 0.23 -1.01 -1.11 0.00 0.00 175.55 173.50 2yua s HIS 46 N 0.55 3.32 0.18 2.71 3.76 -1.22 -4.75 115.29 119.85 2yua s HIS 46 Ca 0.16 0.03 -0.06 0.00 -0.15 0.00 0.00 55.06 55.03 2yua s HIS 46 Cb -0.23 -1.57 0.08 0.00 1.11 0.00 0.00 32.58 31.96 2yua s HIS 46 CO -0.04 0.51 1.53 -1.00 -0.85 0.00 0.00 174.74 174.88 2yua h PRO 47 N 2.06 0.76 -0.38 8.40 0.13 -1.90 -1.80 132.00 139.26 2yua h PRO 47 Ca -0.49 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.26 2yua h PRO 47 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2yua h PRO 47 CO 0.65 1.02 0.23 0.22 -0.23 0.00 0.00 178.00 179.89 2yua h ASP 48 N 0.62 0.38 -0.25 1.44 3.58 -1.96 -2.73 116.42 117.49 2yua h ASP 48 Ca 0.05 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2yua h ASP 48 Cb 0.96 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 2yua h ASP 48 CO 0.09 0.27 -0.38 0.03 -2.88 0.00 0.00 179.24 176.37 2yua h ARG 49 N 0.46 0.70 -4.16 0.28 3.08 -1.98 -3.39 114.38 109.38 2yua h ARG 49 Ca 0.15 -0.42 -0.65 0.00 0.07 0.00 0.00 59.98 59.12 2yua h ARG 49 Cb -0.01 0.04 -0.40 0.00 0.08 0.00 0.00 29.97 29.68 2yua h ARG 49 CO -0.06 1.04 -0.67 -0.80 -1.07 0.00 0.00 179.97 178.41 2yua s ASN 50 N -6.65 4.63 0.11 7.04 0.01 -0.68 -4.99 114.94 114.40 2yua s ASN 50 Ca -0.12 -2.50 -0.33 0.00 -0.71 0.00 0.00 52.86 49.20 2yua s ASN 50 Cb 0.08 -1.65 -0.12 0.00 0.41 0.00 0.00 41.25 39.97 2yua s ASN 50 CO 0.84 -0.33 1.57 0.77 -1.51 0.00 0.00 177.10 178.44 2yua h SER 51 N 7.19 -1.49 -0.39 -1.22 4.64 -1.70 -3.40 113.55 117.18 2yua h SER 51 Ca -0.06 0.16 -0.28 0.00 -0.47 0.00 0.00 61.79 61.15 2yua h SER 51 Cb 0.97 0.56 -0.21 0.00 -0.31 0.00 0.00 62.40 63.41 2yua h SER 51 CO 0.60 -0.53 -0.60 0.61 -0.87 0.00 0.00 176.83 176.04 2yua n GLY 52 N -1.48 1.36 3.75 -0.77 0.00 -1.26 -4.98 105.19 101.81 2yua n GLY 52 Ca -0.08 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2yua n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 53 N -1.61 6.51 0.07 1.61 0.01 -1.26 -4.93 113.70 114.10 2yua s SER 53 Ca 0.25 2.80 -0.27 0.00 1.31 0.00 0.00 55.95 60.04 2yua s SER 53 Cb 0.35 -2.63 -0.17 0.00 0.21 0.00 0.00 66.02 63.79 2yua s SER 53 CO -0.06 -0.81 1.61 0.00 0.41 0.00 0.00 173.24 174.39 2yua h ALA 54 N 5.06 -0.39 -0.41 1.44 0.00 -2.00 -0.66 119.26 122.30 2yua h ALA 54 Ca -0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2yua h ALA 54 Cb 1.22 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2yua h ALA 54 CO 0.79 -0.68 0.23 0.93 0.00 0.00 0.00 179.25 180.52 2yua h GLU 55 N -0.45 0.57 -0.97 0.00 4.39 -2.02 -2.62 114.58 113.49 2yua h GLU 55 Ca -0.04 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.65 2yua h GLU 55 Cb 0.34 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 2yua h GLU 55 CO 0.06 0.45 0.63 0.00 -1.16 0.00 0.00 179.01 179.00 2yua h ALA 56 N 1.09 1.42 0.06 3.43 0.00 -1.93 -2.96 119.26 120.37 2yua h ALA 56 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2yua h ALA 56 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2yua h ALA 56 CO -0.02 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.48 2yua h ALA 57 N 1.46 -0.75 -0.28 0.00 0.00 -0.72 0.18 119.26 119.16 2yua h ALA 57 Ca 0.40 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2yua h ALA 57 Cb 0.11 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2yua h ALA 57 CO -0.15 -0.79 -0.30 0.93 0.00 0.00 0.00 179.25 178.95 2yua h GLU 58 N -0.30 -0.16 -0.13 0.00 4.39 -1.49 -0.86 114.58 116.03 2yua h GLU 58 Ca -0.00 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2yua h GLU 58 Cb 0.30 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2yua h GLU 58 CO -0.10 -0.11 -0.22 -0.09 -1.16 0.00 0.00 179.01 177.32 2yua h ARG 59 N -0.17 -0.18 -0.86 2.33 9.65 -1.45 -1.32 114.38 122.38 2yua h ARG 59 Ca 0.05 0.01 0.16 0.00 -1.10 0.00 0.00 59.98 59.10 2yua h ARG 59 Cb 0.29 0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 28.76 2yua h ARG 59 CO -0.35 -0.12 -0.25 0.34 2.80 0.00 0.00 179.97 182.39 2yua n PHE 60 N -3.76 0.21 -0.35 2.20 7.35 0.64 0.20 117.46 123.95 2yua n PHE 60 Ca -0.02 1.05 0.03 0.00 -0.76 0.00 0.00 57.45 57.75 2yua n PHE 60 Cb 0.14 -0.94 0.20 0.00 0.35 0.00 0.00 39.48 39.23 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 1.08 -0.15 -2.13 2.02 -0.12 -2.41 112.91 111.20 2yua h THR 61 Ca 0.37 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2yua h THR 61 Cb 0.59 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2yua h THR 61 CO -0.87 0.21 -0.05 0.03 0.37 0.00 0.00 175.52 175.21 2yua h ARG 62 N 1.13 0.29 -0.51 6.66 3.08 0.34 -3.18 114.38 122.19 2yua h ARG 62 Ca 0.42 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.46 2yua h ARG 62 Cb 0.19 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.12 2yua h ARG 62 CO -0.17 0.59 -0.26 0.82 -1.07 0.00 0.00 179.97 179.88 2yua h ILE 63 N -0.03 0.28 -0.59 2.04 2.04 -0.41 -0.62 117.51 120.23 2yua h ILE 63 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 2yua h ILE 63 Cb 0.49 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.75 2yua h ILE 63 CO 0.02 0.00 -0.02 0.77 0.00 0.00 0.00 178.15 178.92 2yua h SER 64 N -0.15 -0.30 -0.51 1.72 4.64 -1.49 -1.04 113.55 116.42 2yua h SER 64 Ca 0.23 0.15 0.10 0.00 -0.47 0.00 0.00 61.79 61.80 2yua h SER 64 Cb 0.51 0.27 -0.10 0.00 -0.31 0.00 0.00 62.40 62.77 2yua h SER 64 CO -0.59 -0.12 -0.12 1.56 -0.87 0.00 0.00 176.83 176.69 2yua h GLN 65 N 0.10 0.01 -0.67 4.77 4.20 -1.10 0.29 115.11 122.71 2yua h GLN 65 Ca 0.30 -0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.21 2yua h GLN 65 Cb 0.48 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2yua h GLN 65 CO -0.52 0.01 0.50 0.00 -0.67 0.00 0.00 178.83 178.15 2yua h ALA 66 N 1.51 2.60 -0.33 3.87 0.00 -0.85 0.49 119.26 126.55 2yua h ALA 66 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2yua h ALA 66 Cb 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2yua h ALA 66 CO -0.52 -0.85 0.08 0.98 0.00 0.00 0.00 179.25 178.94 2yua n TYR 67 N -4.24 1.13 0.03 0.00 9.36 0.10 -3.66 117.16 119.89 2yua n TYR 67 Ca 0.13 -0.56 0.00 0.00 3.32 0.00 0.00 57.90 60.79 2yua n TYR 67 Cb 0.76 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.15 0.57 0.19 2.97 0.31 0.17 -3.92 118.33 118.77 2yua n VAL 68 Ca 0.17 0.19 0.14 0.00 -0.01 0.00 0.00 64.34 64.83 2yua n VAL 68 Cb 0.80 -1.20 0.71 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.79 0.00 2.52 2.07 -1.71 -2.61 116.25 117.31 2yua h VAL 69 Ca 0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 2yua h VAL 69 Cb 0.00 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2yua h VAL 69 CO 0.00 0.00 -2.01 0.18 0.02 0.00 0.00 177.57 175.76 2yua n LEU 70 N -4.30 0.00 -0.62 2.57 4.77 -1.24 -2.79 117.00 115.40 2yua n LEU 70 Ca 0.01 0.00 0.49 0.00 -0.03 0.00 0.00 56.01 56.48 2yua n LEU 70 Cb 0.27 0.32 0.79 0.00 -2.33 0.00 0.00 43.42 42.47 2yua n LEU 70 CO 0.33 0.32 1.45 1.23 -1.33 0.00 0.00 177.39 179.39 2yua h GLY 71 N 3.03 0.00 -4.92 -0.72 0.00 -1.58 -3.36 103.07 95.52 2yua h GLY 71 Ca -0.35 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.29 2yua h GLY 71 CO 0.02 0.00 -0.89 -0.56 0.00 0.00 0.00 176.54 175.11 2yua s SER 72 N -4.03 3.06 0.08 0.19 0.01 -1.24 -5.00 113.70 106.76 2yua s SER 72 Ca -0.05 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2yua s SER 72 Cb 0.25 -0.78 -0.14 0.00 0.21 0.00 0.00 66.02 65.57 2yua s SER 72 CO 0.85 0.25 1.48 0.00 0.41 0.00 0.00 173.24 176.23 2yua h ALA 73 N 6.00 -1.02 -0.68 1.44 0.00 -1.91 -2.97 119.26 120.11 2yua h ALA 73 Ca -0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2yua h ALA 73 Cb 1.17 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2yua h ALA 73 CO 0.47 -1.09 0.00 2.41 0.00 0.00 0.00 179.25 181.04 2yua n THR 74 N -5.07 0.00 -0.32 0.00 -1.04 -1.26 -0.55 114.28 106.04 2yua n THR 74 Ca -0.09 0.96 -0.06 0.00 -2.04 0.00 0.00 64.05 62.81 2yua n THR 74 Cb 0.38 -1.31 -0.05 0.00 -1.82 0.00 0.00 70.33 67.53 2yua n THR 74 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2yua n LEU 75 N -2.12 -0.73 -0.33 -4.42 4.77 -1.21 0.62 117.00 113.58 2yua n LEU 75 Ca 0.00 1.38 0.01 0.00 -0.03 0.00 0.00 56.01 57.37 2yua n LEU 75 Cb 0.00 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2yua n LEU 75 CO 0.00 -1.16 0.63 -0.09 -1.33 0.00 0.00 177.39 175.44 2yua h ARG 76 N 0.00 -0.02 -0.36 3.23 2.43 -0.64 1.04 114.38 120.05 2yua h ARG 76 Ca 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2yua h ARG 76 Cb 0.36 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2yua h ARG 76 CO -0.74 -0.02 0.13 0.00 -1.51 0.00 0.00 179.97 177.83 2yua h ARG 77 N -0.02 0.52 0.43 0.20 -0.00 0.78 -2.29 114.38 113.99 2yua h ARG 77 Ca 0.37 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 59.76 2yua h ARG 77 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.50 2yua h ARG 77 CO -0.93 0.45 -0.21 0.87 0.00 0.00 0.00 179.97 180.15 2yua h LYS 78 N 0.52 -0.56 -1.01 0.04 1.57 0.23 -3.12 116.57 114.23 2yua h LYS 78 Ca 0.13 0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.20 2yua h LYS 78 Cb 0.13 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 32.45 2yua h LYS 78 CO -0.01 -0.37 0.60 -0.92 -0.57 0.00 0.00 179.45 178.18 2yua h TYR 79 N -0.68 0.97 -0.51 -1.35 3.20 -1.08 0.12 116.97 117.64 2yua h TYR 79 Ca -0.06 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.93 2yua h TYR 79 Cb 0.45 -0.28 -0.10 0.00 1.54 0.00 0.00 36.73 38.34 2yua h TYR 79 CO 0.09 0.04 -0.41 0.22 -1.64 0.00 0.00 178.16 176.46 2yua h ASP 80 N 0.54 -1.39 1.41 -2.11 3.58 -1.35 0.13 116.42 117.23 2yua h ASP 80 Ca 0.65 0.23 0.00 0.00 0.42 0.00 0.00 57.03 58.33 2yua h ASP 80 Cb 1.31 0.63 0.00 0.00 1.72 0.00 0.00 39.33 42.99 2yua h ASP 80 CO -0.47 -0.34 -0.15 0.03 -2.88 0.00 0.00 179.24 175.43 2yua h ARG 81 N -0.25 0.00 0.00 0.28 2.47 -1.17 -3.47 114.38 112.24 2yua h ARG 81 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2yua h ARG 81 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2yua h ARG 81 CO -0.64 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.30 2yua n GLY 82 N 1.29 1.13 0.20 0.04 0.00 0.46 -4.98 105.19 103.32 2yua n GLY 82 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -9.39 0.99 3.38 -1.31 -3.45 115.31 105.52 2yua h LEU 83 Ca 0.00 -0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2yua h LEU 83 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2yua h LEU 83 CO 0.00 0.00 0.95 -0.22 0.09 0.00 0.00 178.44 179.26 2yua s LEU 84 N -6.06 4.34 0.22 1.67 2.96 -1.25 -4.90 118.68 115.66 2yua s LEU 84 Ca 0.06 2.31 0.11 0.00 -0.22 0.00 0.00 54.13 56.39 2yua s LEU 84 Cb 0.06 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 2yua s LEU 84 CO 0.69 -0.83 -0.22 -0.55 -1.32 0.00 0.00 176.35 174.12 2yua s SER 85 N 2.36 3.34 0.25 3.68 0.15 -1.26 -4.90 113.70 117.31 2yua s SER 85 Ca 0.70 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 2yua s SER 85 Cb -0.36 -0.25 0.55 0.00 -1.71 0.00 0.00 66.02 64.26 2yua s SER 85 CO 0.30 0.06 1.30 0.47 1.20 0.00 0.00 173.24 176.57 2yua n ASP 86 N -0.04 -0.16 -0.35 5.45 8.00 -1.26 0.56 116.55 128.75 2yua n ASP 86 Ca -0.10 1.42 0.03 0.00 0.71 0.00 0.00 54.79 56.85 2yua n ASP 86 Cb 0.58 -0.49 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 2yua n ASP 86 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2yua h GLU 87 N 0.00 -0.01 -0.20 -1.24 4.81 -1.95 0.36 114.58 116.35 2yua h GLU 87 Ca 0.47 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 2yua h GLU 87 Cb 0.90 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 2yua h GLU 87 CO -0.81 -0.00 0.03 -0.44 -0.73 0.00 0.00 179.01 177.07 2yua h ASP 88 N -0.01 0.00 -0.17 1.04 5.19 -0.05 0.39 116.42 122.82 2yua h ASP 88 Ca 0.42 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.91 2yua h ASP 88 Cb 0.67 0.04 -0.07 0.00 0.18 0.00 0.00 39.33 40.15 2yua h ASP 88 CO -0.98 0.03 -0.40 -0.07 -3.12 0.00 0.00 179.24 174.70 2yua h LEU 89 N 0.11 -1.26 -1.36 1.55 3.38 -0.27 -0.19 115.31 117.27 2yua h LEU 89 Ca 0.09 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2yua h LEU 89 Cb 0.09 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2yua h LEU 89 CO -0.12 -0.40 -0.28 0.08 0.09 0.00 0.00 178.44 177.81 2yua h ARG 90 N -0.45 0.00 0.00 1.13 0.11 -1.09 -3.48 114.38 110.60 2yua h ARG 90 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2yua h ARG 90 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2yua h ARG 90 CO -0.41 0.28 0.00 0.41 0.10 0.00 0.00 179.97 180.34 2yua n GLY 91 N -0.26 4.64 0.16 0.08 0.00 0.14 -4.99 105.19 104.95 2yua n GLY 91 Ca -0.01 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.49 0.00 1.61 0.13 -1.73 -3.37 132.00 129.12 2yua h PRO 92 Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2yua h PRO 92 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2yua h PRO 92 CO 0.00 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2yua n GLY 93 N 0.19 -0.37 3.79 1.56 0.00 -1.26 -4.99 105.19 104.12 2yua n GLY 93 Ca -0.05 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2yua n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 94 N 0.00 4.70 0.03 1.61 0.01 -1.26 -5.15 113.70 113.64 2yua s SER 94 Ca 0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2yua s SER 94 Cb 0.00 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.67 2yua s SER 94 CO 0.00 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2yua n GLY 95 N -1.33 -0.06 3.65 3.44 0.00 -1.26 -5.08 105.19 104.55 2yua n GLY 95 Ca 0.00 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 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 0.65 -0.14 0.45 1.61 0.04 -1.26 -4.95 135.00 131.39 2yua s PRO 96 Ca 0.00 0.32 -0.23 0.00 0.04 0.00 0.00 61.00 61.14 2yua s PRO 96 Cb 0.00 -1.69 -0.10 0.00 0.04 0.00 0.00 34.50 32.75 2yua s PRO 96 CO 0.00 -3.07 0.86 0.43 0.04 0.00 0.00 177.00 175.25 2yua n SER 97 N -4.38 0.52 -4.08 6.66 7.64 -1.26 -4.99 113.62 113.73 2yua n SER 97 Ca 0.07 0.96 -0.32 0.00 1.01 0.00 0.00 58.87 60.59 2yua n SER 97 Cb 0.58 -1.28 -0.16 0.00 -1.01 0.00 0.00 64.21 62.33 2yua n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yua s SER 98 N -0.88 2.95 0.00 6.43 1.04 -1.26 -5.31 113.70 116.67 2yua s SER 98 Ca 0.65 -0.58 0.21 0.00 0.48 0.00 0.00 55.95 56.71 2yua s SER 98 Cb -0.55 -1.36 0.17 0.00 0.10 0.00 0.00 66.02 64.38 2yua s SER 98 CO 0.56 -0.02 1.16 0.61 0.98 0.00 0.00 173.24 176.53