#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 6.27 -0.03 1.61 0.15 -1.26 -4.94 113.70 115.51 2yua s SER 2 Ca 0.00 -0.66 -0.19 0.00 0.70 0.00 0.00 55.95 55.81 2yua s SER 2 Cb 0.00 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.87 2yua s SER 2 CO 0.00 -0.95 0.78 0.28 1.20 0.00 0.00 173.24 174.55 2yua h SER 3 N 9.05 -0.48 -3.19 5.45 0.02 -2.15 -3.46 113.55 118.79 2yua h SER 3 Ca -0.27 -0.04 -0.39 0.00 -0.84 0.00 0.00 61.79 60.25 2yua h SER 3 Cb 1.09 0.13 0.21 0.00 0.14 0.00 0.00 62.40 63.96 2yua h SER 3 CO 0.98 -0.05 -0.04 -0.83 -1.14 0.00 0.00 176.83 175.75 2yua s GLY 4 N -2.87 1.47 -0.00 -3.77 0.00 -1.26 -5.06 107.32 95.82 2yua s GLY 4 Ca -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2yua s GLY 4 CO 0.32 0.13 -0.06 -0.45 0.00 0.00 0.00 173.10 173.04 2yua s SER 5 N -3.35 0.71 0.71 1.64 0.15 -1.26 -5.16 113.70 107.14 2yua s SER 5 Ca 0.69 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.16 2yua s SER 5 Cb -0.12 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.16 2yua s SER 5 CO 0.58 0.07 1.03 -0.44 1.20 0.00 0.00 173.24 175.68 2yua s SER 6 N -0.14 4.85 -0.48 5.45 0.01 -1.26 -5.06 113.70 117.07 2yua s SER 6 Ca 0.02 0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.83 2yua s SER 6 Cb -0.02 -1.18 0.13 0.00 0.21 0.00 0.00 66.02 65.16 2yua s SER 6 CO -0.00 -1.59 0.25 -0.83 0.41 0.00 0.00 173.24 171.48 2yua s GLY 7 N -4.51 2.09 -0.06 3.44 0.00 -1.26 -5.08 107.32 101.94 2yua s GLY 7 Ca 0.60 -2.96 0.05 0.00 0.00 0.00 0.00 44.72 42.41 2yua s GLY 7 CO 0.45 1.26 -0.21 -0.56 0.00 0.00 0.00 173.10 174.03 2yua s SER 8 N 0.01 2.68 1.06 1.64 0.01 -1.26 -5.14 113.70 112.71 2yua s SER 8 Ca 0.17 -0.45 -0.14 0.00 1.31 0.00 0.00 55.95 56.84 2yua s SER 8 Cb -0.25 -0.83 0.22 0.00 0.21 0.00 0.00 66.02 65.36 2yua s SER 8 CO 0.00 0.19 1.10 -1.58 0.41 0.00 0.00 173.24 173.36 2yua s GLN 9 N 0.02 -0.08 0.65 12.44 0.74 -1.26 -4.70 119.66 127.47 2yua s GLN 9 Ca -0.06 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.67 2yua s GLN 9 Cb -0.14 -1.70 0.00 0.00 1.10 0.00 0.00 33.01 32.28 2yua s GLN 9 CO 0.04 -3.03 0.00 0.41 -0.55 0.00 0.00 175.29 172.16 2yua n GLY 10 N -1.09 1.01 2.57 2.59 0.00 -1.26 -4.95 105.19 104.06 2yua n GLY 10 Ca 0.07 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2yua n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yua n ASP 11 N 0.89 -4.23 -4.62 1.61 -0.08 -1.26 -4.89 116.55 103.97 2yua n ASP 11 Ca 0.00 -0.28 -0.55 0.00 -1.51 0.00 0.00 54.79 52.45 2yua n ASP 11 Cb 0.00 -2.83 -0.07 0.00 2.34 0.00 0.00 41.12 40.55 2yua n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yua n SER 13 N 6.67 2.22 -4.13 0.00 7.64 -1.26 -5.11 113.62 119.65 2yua n SER 13 Ca 0.31 -2.98 -0.37 0.00 1.01 0.00 0.00 58.87 56.84 2yua n SER 13 Cb 0.16 0.63 0.03 0.00 -1.01 0.00 0.00 64.21 64.02 2yua n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yua n TYR 14 N -0.98 -4.00 0.12 1.43 0.18 -1.26 -4.93 117.16 107.73 2yua n TYR 14 Ca -0.12 0.17 -0.06 0.00 1.88 0.00 0.00 57.90 59.78 2yua n TYR 14 Cb 0.56 -1.57 -0.03 0.00 -0.38 0.00 0.00 39.34 37.93 2yua n TYR 14 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 2yua h SER 15 N -0.61 -0.31 -4.65 9.48 0.02 -2.03 -3.45 113.55 111.99 2yua h SER 15 Ca -0.43 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.37 2yua h SER 15 Cb 1.36 0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.88 2yua h SER 15 CO 0.31 -0.01 -0.23 0.54 -1.14 0.00 0.00 176.83 176.30 2yua n ARG 16 N -4.11 -1.87 0.00 3.45 5.12 -1.26 -4.55 116.66 113.44 2yua n ARG 16 Ca -0.04 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2yua n ARG 16 Cb 0.14 -3.31 0.00 0.00 -1.16 0.00 0.00 32.46 28.13 2yua n ARG 16 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2yua n THR 17 N -2.25 0.00 0.03 0.55 -1.04 -1.26 -4.80 114.28 105.51 2yua n THR 17 Ca 0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.89 2yua n THR 17 Cb 0.35 -0.25 -0.10 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 -0.92 0.00 2.41 0.00 -1.99 0.46 119.26 119.23 2yua h ALA 18 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2yua h ALA 18 Cb 0.43 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2yua h ALA 18 CO 0.00 -1.09 0.48 -0.07 0.00 0.00 0.00 179.25 178.57 2yua h LEU 19 N -0.62 0.00 0.03 0.00 3.38 -1.96 0.51 115.31 116.64 2yua h LEU 19 Ca 0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.64 2yua h LEU 19 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2yua h LEU 19 CO -0.38 0.00 -2.11 -1.22 0.09 0.00 0.00 178.44 174.83 2yua n TYR 20 N -2.65 0.62 0.18 1.13 4.02 0.11 -4.20 117.16 116.37 2yua n TYR 20 Ca -0.01 0.18 0.03 0.00 -0.01 0.00 0.00 57.90 58.08 2yua n TYR 20 Cb 0.52 -1.10 0.34 0.00 -0.02 0.00 0.00 39.34 39.08 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 0.02 0.00 -0.10 7.72 3.58 0.41 -0.89 116.42 127.17 2yua h ASP 21 Ca -0.45 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.00 2yua h ASP 21 Cb 2.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.10 2yua h ASP 21 CO 0.04 0.41 0.05 -0.07 -2.88 0.00 0.00 179.24 176.78 2yua h LEU 22 N 0.00 0.13 -0.01 2.28 4.07 -1.31 -3.22 115.31 117.24 2yua h LEU 22 Ca -0.00 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 2yua h LEU 22 Cb 0.77 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.48 2yua h LEU 22 CO 0.05 0.20 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.18 2yua h LEU 23 N 0.04 0.34 0.00 1.67 4.07 -1.71 -3.49 115.31 116.24 2yua h LEU 23 Ca 0.03 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.25 2yua h LEU 23 Cb 0.11 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2yua h LEU 23 CO -0.00 1.04 0.00 0.61 -1.08 0.00 0.00 178.44 179.01 2yua n GLY 24 N 0.99 1.30 3.91 0.83 0.00 -0.36 -4.70 105.19 107.16 2yua n GLY 24 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 5.23 0.88 1.61 -7.23 -1.10 -5.01 120.40 112.79 2yua s VAL 25 Ca 0.00 -0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 2yua s VAL 25 Cb 0.00 -3.65 0.12 0.00 0.56 0.00 0.00 36.38 33.41 2yua s VAL 25 CO 0.00 0.01 1.09 -2.16 -0.31 0.00 0.00 175.10 173.74 2yua s PRO 26 N -2.78 1.37 0.50 4.82 0.04 -1.26 -4.52 135.00 133.17 2yua s PRO 26 Ca 0.39 0.86 0.33 0.00 0.04 0.00 0.00 61.00 62.62 2yua s PRO 26 Cb -0.12 -1.82 1.64 0.00 0.04 0.00 0.00 34.50 34.24 2yua s PRO 26 CO 0.27 -2.17 2.01 1.03 0.04 0.00 0.00 177.00 178.17 2yua h SER 27 N -1.50 0.00 -0.24 6.66 0.87 -1.96 -1.78 113.55 115.61 2yua h SER 27 Ca -0.49 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.97 2yua h SER 27 Cb 1.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.18 2yua h SER 27 CO 0.54 0.00 -0.14 0.35 -0.53 0.00 0.00 176.83 177.05 2yua n THR 28 N -2.78 2.38 -0.57 2.23 -2.24 -1.26 -5.04 114.28 107.00 2yua n THR 28 Ca -0.01 -2.66 -0.15 0.00 -2.27 0.00 0.00 64.05 58.96 2yua n THR 28 Cb 0.16 -0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.06 -2.05 -2.46 6.98 0.00 -0.67 -5.07 120.51 116.18 2yua n ALA 29 Ca 0.27 -0.82 -0.21 0.00 0.00 0.00 0.00 53.44 52.68 2yua n ALA 29 Cb 0.91 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 20.19 2yua n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yua s THR 30 N -1.87 1.71 0.43 0.00 -4.23 -1.26 -4.99 115.64 105.42 2yua s THR 30 Ca 0.36 -1.87 0.29 0.00 -1.18 0.00 0.00 61.69 59.28 2yua s THR 30 Cb -0.04 -1.77 0.47 0.00 1.34 0.00 0.00 72.50 72.50 2yua s THR 30 CO 0.28 -0.34 1.62 -0.61 -0.54 0.00 0.00 174.62 175.04 2yua h GLN 31 N 3.32 0.09 -0.71 3.99 -0.00 -1.97 1.01 115.11 120.83 2yua h GLN 31 Ca -0.42 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.22 2yua h GLN 31 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.63 2yua h GLN 31 CO 0.51 0.06 0.42 0.00 0.00 0.00 0.00 178.83 179.82 2yua h ALA 32 N 1.63 0.90 0.28 3.38 0.00 -1.99 -2.45 119.26 121.01 2yua h ALA 32 Ca 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 2yua h ALA 32 Cb 2.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2yua h ALA 32 CO -0.45 0.38 -0.13 1.96 0.00 0.00 0.00 179.25 181.01 2yua h GLN 33 N 0.97 -0.36 -0.55 0.00 4.20 0.60 -1.28 115.11 118.70 2yua h GLN 33 Ca 0.25 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.15 2yua h GLN 33 Cb -0.02 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2yua h GLN 33 CO -0.05 -0.18 0.92 0.82 -0.67 0.00 0.00 178.83 179.67 2yua h ILE 34 N -1.08 0.07 0.00 2.54 2.04 -1.26 0.10 117.51 119.92 2yua h ILE 34 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2yua h ILE 34 Cb 0.34 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2yua h ILE 34 CO 0.06 0.00 -0.27 1.17 0.00 0.00 0.00 178.15 179.11 2yua n LYS 35 N -3.11 0.21 -0.39 2.37 4.81 -0.92 -3.49 118.16 117.64 2yua n LYS 35 Ca 0.12 0.33 0.31 0.00 -0.87 0.00 0.00 58.31 58.19 2yua n LYS 35 Cb 1.10 -1.13 0.58 0.00 0.02 0.00 0.00 35.03 35.60 2yua n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2yua h ALA 36 N -1.55 2.44 0.53 3.14 0.00 -0.40 -0.81 119.26 122.61 2yua h ALA 36 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2yua h ALA 36 Cb 0.27 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2yua h ALA 36 CO 0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 179.25 177.96 2yua h ALA 37 N 1.69 -0.80 -1.42 0.00 0.00 -1.03 -3.13 119.26 114.57 2yua h ALA 37 Ca 0.76 -0.16 0.43 0.00 0.00 0.00 0.00 54.91 55.95 2yua h ALA 37 Cb 2.16 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 20.13 2yua h ALA 37 CO -0.46 -0.75 0.96 -0.92 0.00 0.00 0.00 179.25 178.09 2yua h TYR 38 N -1.06 0.33 -1.00 0.00 3.20 -1.21 0.95 116.97 118.17 2yua h TYR 38 Ca -0.07 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2yua h TYR 38 Cb 0.55 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 2yua h TYR 38 CO 0.02 -0.09 0.66 1.88 -1.64 0.00 0.00 178.16 178.99 2yua h TYR 39 N 0.09 1.26 -0.07 -3.82 -1.99 -1.30 -0.49 116.97 110.64 2yua h TYR 39 Ca 0.78 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.54 2yua h TYR 39 Cb 2.68 -0.43 -0.01 0.00 2.00 0.00 0.00 36.73 40.98 2yua h TYR 39 CO -0.00 0.79 0.03 0.00 -0.00 0.00 0.00 178.16 178.98 2yua h ARG 40 N 1.35 0.07 0.41 4.88 3.08 0.91 -0.74 114.38 124.35 2yua h ARG 40 Ca 0.37 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.40 2yua h ARG 40 Cb -0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2yua h ARG 40 CO -0.08 0.05 -0.20 1.96 -1.07 0.00 0.00 179.97 180.63 2yua h GLN 41 N 0.08 -0.53 -1.00 0.04 1.08 -1.43 0.24 115.11 113.57 2yua h GLN 41 Ca 0.03 0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.49 2yua h GLN 41 Cb 0.01 0.12 -0.11 0.00 -0.05 0.00 0.00 27.48 27.45 2yua h GLN 41 CO -0.02 -0.26 0.61 0.00 -0.95 0.00 0.00 178.83 178.21 2yua h PHE 43 N 0.64 0.85 0.41 0.00 3.04 -0.97 -3.28 116.94 117.63 2yua h PHE 43 Ca 0.60 -0.39 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 2yua h PHE 43 Cb 1.10 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 2yua h PHE 43 CO -0.00 1.19 -0.51 -0.07 -2.02 0.00 0.00 178.31 176.90 2yua h LEU 44 N 0.41 -1.42 -6.51 0.59 3.38 0.13 -3.11 115.31 108.78 2yua h LEU 44 Ca -0.05 0.12 -0.79 0.00 0.09 0.00 0.00 57.88 57.25 2yua h LEU 44 Cb 1.40 0.49 -0.24 0.00 0.09 0.00 0.00 40.66 42.40 2yua h LEU 44 CO 0.15 -0.64 1.22 -1.22 0.09 0.00 0.00 178.44 178.05 2yua n TYR 45 N -5.54 2.52 -1.77 1.13 4.02 -0.86 -5.02 117.16 111.64 2yua n TYR 45 Ca -0.11 -2.62 -0.41 0.00 -0.01 0.00 0.00 57.90 54.75 2yua n TYR 45 Cb 0.45 -1.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.37 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 1.33 2.90 0.42 -0.72 -0.00 -1.18 -4.88 115.22 113.09 2yua n HIS 46 Ca 0.38 0.45 0.11 0.00 0.46 0.00 0.00 57.72 59.12 2yua n HIS 46 Cb 0.31 -2.51 0.45 0.00 -0.12 0.00 0.00 29.99 28.11 2yua n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2yua n PRO 47 N 0.30 0.15 -0.09 1.57 -0.04 -1.26 -2.80 135.00 132.82 2yua n PRO 47 Ca 0.02 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2yua n PRO 47 Cb 0.39 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 31.92 2yua n PRO 47 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2yua n ASP 48 N -2.06 0.82 -0.09 3.54 8.00 -1.26 -4.44 116.55 121.06 2yua n ASP 48 Ca 0.02 0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 2yua n ASP 48 Cb 0.21 0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 2yua n ASP 48 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2yua h ARG 49 N 0.00 0.41 -4.52 -1.24 3.08 -1.90 -3.37 114.38 106.85 2yua h ARG 49 Ca -0.52 -0.05 -0.72 0.00 0.07 0.00 0.00 59.98 58.75 2yua h ARG 49 Cb 2.11 -0.08 -0.21 0.00 0.08 0.00 0.00 29.97 31.87 2yua h ARG 49 CO 0.00 0.37 0.10 -0.80 -1.07 0.00 0.00 179.97 178.57 2yua s ASN 50 N -5.61 6.26 0.00 7.04 0.01 -1.15 -4.97 114.94 116.52 2yua s ASN 50 Ca -0.13 -1.65 0.00 0.00 -0.71 0.00 0.00 52.86 50.36 2yua s ASN 50 Cb 0.09 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.47 2yua s ASN 50 CO 0.72 -1.02 0.78 -1.20 -1.51 0.00 0.00 177.10 174.87 2yua n SER 51 N 5.93 0.00 -3.65 -1.22 7.64 -1.26 -4.29 113.62 116.77 2yua n SER 51 Ca -0.06 0.78 -0.27 0.00 1.01 0.00 0.00 58.87 60.33 2yua n SER 51 Cb 0.43 -0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.90 3.25 3.84 0.23 0.00 -1.26 -5.03 105.19 105.33 2yua n GLY 52 Ca 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 2yua n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 53 N -0.89 6.15 -0.13 1.61 1.04 -1.26 -5.01 113.70 115.21 2yua s SER 53 Ca 0.29 1.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.29 2yua s SER 53 Cb 0.01 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.55 2yua s SER 53 CO -0.17 -0.92 -0.13 0.00 0.98 0.00 0.00 173.24 173.00 2yua n ALA 54 N -2.27 1.80 -0.11 5.32 0.00 -1.26 -4.68 120.51 119.31 2yua n ALA 54 Ca 0.07 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 2yua n ALA 54 Cb 0.54 0.22 -0.12 0.00 0.00 0.00 0.00 19.45 20.09 2yua n ALA 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2yua n GLU 55 N -3.04 0.77 -0.32 0.00 -0.58 -1.26 -4.43 120.64 111.79 2yua n GLU 55 Ca -0.24 0.08 0.23 0.00 -0.42 0.00 0.00 57.16 56.81 2yua n GLU 55 Cb 0.74 -1.47 0.53 0.00 -0.57 0.00 0.00 31.44 30.67 2yua n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yua h ALA 56 N 0.37 2.29 0.46 0.62 0.00 -1.99 -1.39 119.26 119.61 2yua h ALA 56 Ca -0.51 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2yua h ALA 56 Cb 1.93 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2yua h ALA 56 CO -0.04 -0.69 -0.39 0.00 0.00 0.00 0.00 179.25 178.14 2yua h ALA 57 N 1.61 -0.89 -0.58 0.00 0.00 -1.83 -2.35 119.26 115.22 2yua h ALA 57 Ca 0.59 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.40 2yua h ALA 57 Cb 1.54 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.79 2yua h ALA 57 CO -0.27 -1.03 -0.44 0.93 0.00 0.00 0.00 179.25 178.44 2yua h GLU 58 N -0.85 -0.12 0.00 0.00 4.39 -1.50 0.15 114.58 116.65 2yua h GLU 58 Ca -0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2yua h GLU 58 Cb 0.74 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2yua h GLU 58 CO -0.02 -0.08 0.00 -2.13 -1.16 0.00 0.00 179.01 175.62 2yua n ARG 59 N -4.72 0.00 -0.34 2.33 3.00 -1.18 -1.21 116.66 114.54 2yua n ARG 59 Ca -0.00 0.78 0.16 0.00 -0.00 0.00 0.00 57.85 58.79 2yua n ARG 59 Cb 0.22 -1.47 0.31 0.00 0.00 0.00 0.00 32.46 31.53 2yua n ARG 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2yua n PHE 60 N -2.51 0.67 -0.23 -0.14 7.35 -0.89 0.19 117.46 121.89 2yua n PHE 60 Ca 0.00 1.20 0.04 0.00 -0.76 0.00 0.00 57.45 57.93 2yua n PHE 60 Cb 0.00 -1.27 0.29 0.00 0.35 0.00 0.00 39.48 38.85 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 1.07 -0.30 -2.13 2.02 0.34 -2.18 112.91 111.72 2yua h THR 61 Ca 0.62 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.42 2yua h THR 61 Cb 1.32 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2yua h THR 61 CO -0.92 0.17 -0.07 0.03 0.37 0.00 0.00 175.52 175.09 2yua h ARG 62 N 0.91 0.58 0.32 6.66 3.08 0.35 -3.20 114.38 123.07 2yua h ARG 62 Ca 0.34 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2yua h ARG 62 Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2yua h ARG 62 CO -0.11 0.77 -0.46 0.82 -1.07 0.00 0.00 179.97 179.92 2yua h ILE 63 N 0.35 0.00 -0.96 2.04 5.03 -0.72 -2.48 117.51 120.77 2yua h ILE 63 Ca 0.08 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 65.02 2yua h ILE 63 Cb 0.55 0.00 -0.18 0.00 -3.03 0.00 0.00 36.82 34.16 2yua h ILE 63 CO 0.03 0.00 -0.20 -1.54 -0.68 0.00 0.00 178.15 175.75 2yua n SER 64 N -5.14 -0.31 -0.29 1.72 3.41 -1.00 0.12 113.62 112.12 2yua n SER 64 Ca -0.09 1.65 0.11 0.00 -0.26 0.00 0.00 58.87 60.27 2yua n SER 64 Cb 0.39 -0.51 0.26 0.00 -0.26 0.00 0.00 64.21 64.09 2yua n SER 64 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2yua h GLN 65 N 0.00 0.31 0.00 4.33 4.20 -1.44 0.64 115.11 123.15 2yua h GLN 65 Ca 0.48 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.16 2yua h GLN 65 Cb 0.77 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2yua h GLN 65 CO -0.98 0.21 -0.04 0.00 -0.67 0.00 0.00 178.83 177.35 2yua h ALA 66 N 1.69 1.90 -0.20 3.87 0.00 0.94 -0.45 119.26 127.02 2yua h ALA 66 Ca 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2yua h ALA 66 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2yua h ALA 66 CO -0.55 0.05 0.00 0.98 0.00 0.00 0.00 179.25 179.73 2yua n TYR 67 N -4.45 0.71 0.01 0.00 9.36 0.22 -3.48 117.16 119.53 2yua n TYR 67 Ca -0.03 -0.25 -0.00 0.00 3.32 0.00 0.00 57.90 60.94 2yua n TYR 67 Cb 0.12 -0.23 -0.00 0.00 -0.63 0.00 0.00 39.34 38.60 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 0.22 0.32 -0.07 2.97 0.31 -0.19 -3.96 118.33 117.94 2yua n VAL 68 Ca 0.10 0.13 0.12 0.00 -0.01 0.00 0.00 64.34 64.67 2yua n VAL 68 Cb 0.56 -1.19 0.50 0.00 -0.91 0.00 0.00 33.84 32.81 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 -0.02 0.90 0.00 2.52 2.07 -1.71 -1.84 116.25 118.18 2yua h VAL 69 Ca 0.00 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 2yua h VAL 69 Cb 0.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2yua h VAL 69 CO 0.00 0.07 -1.83 0.18 0.02 0.00 0.00 177.57 176.02 2yua n LEU 70 N -4.47 0.35 -0.63 2.57 4.77 -1.23 -2.83 117.00 115.54 2yua n LEU 70 Ca 0.09 0.15 0.49 0.00 -0.03 0.00 0.00 56.01 56.71 2yua n LEU 70 Cb 0.36 0.15 0.77 0.00 -2.33 0.00 0.00 43.42 42.37 2yua n LEU 70 CO 0.34 0.16 1.40 0.61 -1.33 0.00 0.00 177.39 178.57 2yua n GLY 71 N 1.43 -0.94 3.13 -0.72 0.00 -0.69 -4.08 105.19 103.32 2yua n GLY 71 Ca -0.13 0.72 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 2yua n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 72 N -4.00 2.35 0.26 1.61 0.15 -1.25 -5.02 113.70 107.80 2yua s SER 72 Ca -0.06 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.17 2yua s SER 72 Cb 0.28 -0.92 0.47 0.00 -1.71 0.00 0.00 66.02 64.15 2yua s SER 72 CO 0.87 0.12 1.79 0.00 1.20 0.00 0.00 173.24 177.22 2yua h ALA 73 N 6.61 1.26 0.85 5.45 0.00 -1.90 -2.81 119.26 128.72 2yua h ALA 73 Ca -0.28 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2yua h ALA 73 Cb 1.20 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2yua h ALA 73 CO 0.47 0.03 -0.41 1.15 0.00 0.00 0.00 179.25 180.50 2yua h THR 74 N 0.74 0.00 -0.75 0.00 2.02 -1.93 -3.04 112.91 109.95 2yua h THR 74 Ca 0.44 -0.06 0.18 0.00 0.77 0.00 0.00 66.41 67.74 2yua h THR 74 Cb 0.50 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.77 2yua h THR 74 CO -0.30 0.00 -0.07 0.18 0.37 0.00 0.00 175.52 175.71 2yua n LEU 75 N -5.26 -0.16 -0.12 2.58 4.77 -1.07 0.13 117.00 117.86 2yua n LEU 75 Ca -0.14 1.29 -0.05 0.00 -0.03 0.00 0.00 56.01 57.07 2yua n LEU 75 Cb 0.45 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2yua n LEU 75 CO 0.34 -1.28 0.72 0.03 -1.33 0.00 0.00 177.39 175.88 2yua h ARG 76 N 0.00 -0.11 -0.76 3.23 3.08 -1.38 -0.44 114.38 118.01 2yua h ARG 76 Ca 0.42 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.58 2yua h ARG 76 Cb 0.79 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.78 2yua h ARG 76 CO -0.74 -0.07 0.39 0.00 -1.07 0.00 0.00 179.97 178.48 2yua h ARG 77 N -0.11 0.61 0.31 0.04 2.47 0.98 -1.11 114.38 117.58 2yua h ARG 77 Ca 0.20 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2yua h ARG 77 Cb 0.43 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2yua h ARG 77 CO -0.49 0.41 -0.24 0.87 0.56 0.00 0.00 179.97 181.08 2yua h LYS 78 N 0.63 -0.51 -1.03 0.04 1.57 -0.75 -2.53 116.57 113.99 2yua h LYS 78 Ca 0.38 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.46 2yua h LYS 78 Cb 0.43 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 2yua h LYS 78 CO -0.29 -0.34 0.64 -0.92 -0.57 0.00 0.00 179.45 177.98 2yua h TYR 79 N -0.52 0.80 -0.70 -1.35 3.20 -1.18 0.21 116.97 117.42 2yua h TYR 79 Ca -0.04 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.96 2yua h TYR 79 Cb 0.44 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.40 2yua h TYR 79 CO -0.07 0.07 0.32 0.22 -1.64 0.00 0.00 178.16 177.06 2yua h ASP 80 N 0.47 0.38 -0.42 -2.11 3.58 -0.80 0.14 116.42 117.66 2yua h ASP 80 Ca 0.61 0.07 0.00 0.00 0.42 0.00 0.00 57.03 58.14 2yua h ASP 80 Cb 1.40 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2yua h ASP 80 CO -0.36 0.20 0.00 0.54 -2.88 0.00 0.00 179.24 176.74 2yua n ARG 81 N -4.92 3.13 -2.45 0.28 5.12 0.50 -4.89 116.66 113.44 2yua n ARG 81 Ca 0.11 -2.00 -0.16 0.00 -1.93 0.00 0.00 57.85 53.88 2yua n ARG 81 Cb 0.31 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 0.70 -0.26 0.08 -0.13 0.00 0.48 -4.90 105.19 101.17 2yua n GLY 82 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2yua n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yua n LEU 83 N -2.50 0.57 -4.67 0.99 4.77 0.17 -4.88 117.00 111.44 2yua n LEU 83 Ca -0.16 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2yua n LEU 83 Cb 0.63 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 2yua n LEU 83 CO 0.26 0.23 1.20 -0.22 -1.33 0.00 0.00 177.39 177.53 2yua s LEU 84 N -5.59 4.29 0.33 2.23 2.96 -1.24 -4.84 118.68 116.82 2yua s LEU 84 Ca -0.05 2.08 0.09 0.00 -0.22 0.00 0.00 54.13 56.02 2yua s LEU 84 Cb 0.09 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 2yua s LEU 84 CO 0.83 -0.80 0.05 -0.55 -1.32 0.00 0.00 176.35 174.56 2yua s SER 85 N 2.40 4.37 0.28 3.68 0.15 -1.26 -4.85 113.70 118.47 2yua s SER 85 Ca 0.65 -0.89 0.15 0.00 0.70 0.00 0.00 55.95 56.56 2yua s SER 85 Cb -0.30 -0.62 0.81 0.00 -1.71 0.00 0.00 66.02 64.19 2yua s SER 85 CO 0.25 -0.24 1.39 0.47 1.20 0.00 0.00 173.24 176.31 2yua n ASP 86 N -1.02 0.39 0.11 5.45 8.00 -1.26 -0.33 116.55 127.88 2yua n ASP 86 Ca -0.04 0.62 -0.04 0.00 0.71 0.00 0.00 54.79 56.04 2yua n ASP 86 Cb 0.62 -0.62 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.10 0.13 -1.24 4.57 -1.99 -3.21 114.58 112.94 2yua h GLU 87 Ca 0.00 -0.08 -0.33 0.00 -1.18 0.00 0.00 59.36 57.77 2yua h GLU 87 Cb 0.30 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2yua h GLU 87 CO 0.00 0.76 -1.73 -0.44 -1.18 0.00 0.00 179.01 176.42 2yua h ASP 88 N 0.07 0.43 -1.05 1.04 5.19 -1.07 -3.31 116.42 117.72 2yua h ASP 88 Ca -0.01 -0.89 0.28 0.00 -0.62 0.00 0.00 57.03 55.78 2yua h ASP 88 Cb 1.24 -0.14 -0.11 0.00 0.18 0.00 0.00 39.33 40.50 2yua h ASP 88 CO 0.10 1.76 0.65 -0.07 -3.12 0.00 0.00 179.24 178.56 2yua h LEU 89 N -0.09 0.51 -0.39 1.55 3.38 -1.55 0.43 115.31 119.14 2yua h LEU 89 Ca -0.37 0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 2yua h LEU 89 Cb 1.93 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 2yua h LEU 89 CO 0.08 0.05 -0.71 0.08 0.09 0.00 0.00 178.44 178.03 2yua h ARG 90 N 0.42 0.48 -1.18 1.13 0.11 -1.70 -3.48 114.38 110.17 2yua h ARG 90 Ca 0.64 -0.38 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2yua h ARG 90 Cb 1.52 0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.68 2yua h ARG 90 CO -0.39 1.01 0.00 0.41 0.10 0.00 0.00 179.97 181.10 2yua n GLY 91 N 0.54 -0.41 0.18 0.08 0.00 0.15 -5.00 105.19 100.74 2yua n GLY 91 Ca -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 0.18 0.00 1.61 0.13 -1.79 -3.47 132.00 128.67 2yua h PRO 92 Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2yua h PRO 92 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yua h PRO 92 CO 0.00 0.62 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2yua n GLY 93 N -0.08 2.57 3.57 1.56 0.00 -1.26 -5.13 105.19 106.42 2yua n GLY 93 Ca -0.02 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2yua n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 94 N 0.00 6.16 0.35 1.61 0.15 -1.26 -4.94 113.70 115.78 2yua s SER 94 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2yua s SER 94 Cb 0.00 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2yua s SER 94 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2yua n GLY 95 N 4.91 -3.38 3.77 9.45 0.00 -1.26 -4.89 105.19 113.79 2yua n GLY 95 Ca -0.10 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 -4.45 4.11 -0.36 1.61 0.04 -1.26 -4.88 135.00 129.80 2yua s PRO 96 Ca 0.00 1.92 -0.40 0.00 0.04 0.00 0.00 61.00 62.56 2yua s PRO 96 Cb 0.00 -2.76 -0.15 0.00 0.04 0.00 0.00 34.50 31.63 2yua s PRO 96 CO 0.00 -0.30 1.93 -1.13 0.04 0.00 0.00 177.00 177.54 2yua n SER 97 N 0.22 1.94 -4.75 6.66 3.41 -1.26 -4.90 113.62 114.94 2yua n SER 97 Ca 0.03 0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 59.17 2yua n SER 97 Cb 0.45 -1.11 0.11 0.00 -0.26 0.00 0.00 64.21 63.41 2yua n SER 97 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yua s SER 98 N 5.00 4.01 0.00 4.04 1.04 -1.26 -5.29 113.70 121.25 2yua s SER 98 Ca 1.06 1.57 0.05 0.00 0.48 0.00 0.00 55.95 59.11 2yua s SER 98 Cb -1.12 -2.28 0.04 0.00 0.10 0.00 0.00 66.02 62.76 2yua s SER 98 CO 0.63 -2.31 0.66 0.61 0.98 0.00 0.00 173.24 173.81