#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 2.98 -0.63 1.61 0.15 -1.26 -5.08 113.70 111.47 2yua s SER 2 Ca 0.00 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 55.81 2yua s SER 2 Cb 0.00 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2yua s SER 2 CO 0.00 0.24 1.40 -0.55 1.20 0.00 0.00 173.24 175.52 2yua s SER 3 N -1.20 6.07 0.00 5.45 0.15 -1.26 -4.09 113.70 118.82 2yua s SER 3 Ca 0.11 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2yua s SER 3 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2yua s SER 3 CO 0.02 -1.80 0.00 0.61 1.20 0.00 0.00 173.24 173.26 2yua n GLY 4 N 5.33 0.07 3.63 9.45 0.00 -1.26 -5.12 105.19 117.28 2yua n GLY 4 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 2yua n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 5 N 0.00 2.01 -4.71 1.61 7.64 -1.26 -4.99 113.62 113.93 2yua n SER 5 Ca 0.00 1.17 -0.27 0.00 1.01 0.00 0.00 58.87 60.77 2yua n SER 5 Cb 0.00 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 61.78 2yua n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yua s SER 6 N -0.14 5.04 0.64 6.43 1.04 -1.26 -5.10 113.70 120.35 2yua s SER 6 Ca 0.64 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.63 2yua s SER 6 Cb -0.69 -1.18 -0.01 0.00 0.10 0.00 0.00 66.02 64.24 2yua s SER 6 CO 0.56 0.10 1.18 -0.83 0.98 0.00 0.00 173.24 175.23 2yua s GLY 7 N -2.86 2.52 0.10 7.32 0.00 -1.26 -5.01 107.32 108.14 2yua s GLY 7 Ca 0.28 0.88 -0.18 0.00 0.00 0.00 0.00 44.72 45.70 2yua s GLY 7 CO 0.20 1.26 0.58 -1.35 0.00 0.00 0.00 173.10 173.79 2yua s SER 8 N -1.91 7.00 -0.08 1.64 1.04 -1.26 -5.08 113.70 115.06 2yua s SER 8 Ca 0.74 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 58.36 2yua s SER 8 Cb -0.28 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 63.53 2yua s SER 8 CO 0.37 0.21 0.18 -1.58 0.98 0.00 0.00 173.24 173.41 2yua s GLN 9 N -1.40 0.14 0.01 4.02 0.74 -1.26 -5.16 119.66 116.75 2yua s GLN 9 Ca 0.32 0.41 0.07 0.00 0.05 0.00 0.00 55.36 56.22 2yua s GLN 9 Cb -0.18 -0.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.78 2yua s GLN 9 CO 0.19 -0.15 -0.22 0.20 -0.55 0.00 0.00 175.29 174.76 2yua s GLY 10 N 1.08 1.14 -0.30 2.59 0.00 -1.26 -5.11 107.32 105.46 2yua s GLY 10 Ca -0.08 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.62 2yua s GLY 10 CO -0.06 -0.90 -0.02 -0.35 0.00 0.00 0.00 173.10 171.77 2yua s ASP 11 N -0.81 4.72 -1.03 1.64 -1.08 -1.26 -5.04 116.67 113.81 2yua s ASP 11 Ca 0.09 -1.55 -0.24 0.00 -0.52 0.00 0.00 52.55 50.33 2yua s ASP 11 Cb -0.09 -1.64 -0.07 0.00 -1.46 0.00 0.00 42.92 39.66 2yua s ASP 11 CO 0.00 -0.28 1.95 0.00 0.52 0.00 0.00 175.17 177.37 2yua s SER 13 N 7.42 0.32 0.24 0.00 1.04 -1.26 -5.14 113.70 116.32 2yua s SER 13 Ca 0.70 -1.19 -0.31 0.00 0.48 0.00 0.00 55.95 55.63 2yua s SER 13 Cb -0.04 0.71 -0.11 0.00 0.10 0.00 0.00 66.02 66.68 2yua s SER 13 CO 0.06 -1.39 1.56 -0.72 0.98 0.00 0.00 173.24 173.73 2yua s TYR 14 N -3.11 2.93 -0.27 5.02 1.13 -1.26 -4.86 117.35 116.93 2yua s TYR 14 Ca 0.23 0.75 -0.40 0.00 -1.41 0.00 0.00 57.07 56.24 2yua s TYR 14 Cb -0.02 -3.97 -0.15 0.00 -1.10 0.00 0.00 41.96 36.71 2yua s TYR 14 CO 0.14 -3.39 1.74 0.43 -2.51 0.00 0.00 175.55 171.97 2yua n SER 15 N 2.93 2.42 -0.10 -0.18 7.64 -1.26 -4.87 113.62 120.19 2yua n SER 15 Ca 0.10 1.07 -0.16 0.00 1.01 0.00 0.00 58.87 60.90 2yua n SER 15 Cb 0.38 -1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 2yua n SER 15 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2yua n ARG 16 N 5.38 0.55 -0.75 1.43 0.63 -1.26 -4.72 116.66 117.90 2yua n ARG 16 Ca 0.26 0.25 0.06 0.00 -0.92 0.00 0.00 57.85 57.50 2yua n ARG 16 Cb 0.14 -1.47 0.18 0.00 0.45 0.00 0.00 32.46 31.76 2yua n ARG 16 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2yua n THR 17 N -4.40 1.85 0.05 5.15 5.66 -1.26 -4.80 114.28 116.52 2yua n THR 17 Ca -0.27 -2.89 -0.13 0.00 -3.05 0.00 0.00 64.05 57.72 2yua n THR 17 Cb 0.63 -0.04 -0.08 0.00 -1.55 0.00 0.00 70.33 69.29 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 1.00 -0.07 0.00 1.79 0.00 -1.96 -2.23 119.26 117.80 2yua h ALA 18 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yua h ALA 18 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2yua h ALA 18 CO 0.02 -0.45 0.38 -0.07 0.00 0.00 0.00 179.25 179.13 2yua h LEU 19 N -0.24 0.00 0.00 0.00 3.38 -1.94 0.83 115.31 117.34 2yua h LEU 19 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2yua h LEU 19 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2yua h LEU 19 CO 0.01 0.00 -1.30 1.88 0.09 0.00 0.00 178.44 179.13 2yua h TYR 20 N 0.00 0.00 0.11 1.13 -1.99 -1.68 -3.37 116.97 111.17 2yua h TYR 20 Ca 0.00 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.57 2yua h TYR 20 Cb 0.77 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.51 2yua h TYR 20 CO 0.00 0.49 -0.71 -0.44 -0.00 0.00 0.00 178.16 177.50 2yua h ASP 21 N 0.00 0.36 -0.73 3.88 5.19 0.93 -1.53 116.42 124.52 2yua h ASP 21 Ca -0.13 -0.95 0.14 0.00 -0.62 0.00 0.00 57.03 55.47 2yua h ASP 21 Cb 1.49 -0.12 -0.14 0.00 0.18 0.00 0.00 39.33 40.74 2yua h ASP 21 CO 0.04 1.34 -0.22 -0.07 -3.12 0.00 0.00 179.24 177.20 2yua h LEU 22 N -0.50 -0.82 0.00 1.55 4.07 -1.42 -2.08 115.31 116.12 2yua h LEU 22 Ca -0.13 0.23 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 2yua h LEU 22 Cb 1.52 0.50 0.00 0.00 1.08 0.00 0.00 40.66 43.76 2yua h LEU 22 CO 0.11 -0.26 -0.00 -0.07 -1.08 0.00 0.00 178.44 177.14 2yua h LEU 23 N -0.03 -0.00 0.00 1.67 4.07 -1.72 -3.49 115.31 115.81 2yua h LEU 23 Ca 0.33 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.55 2yua h LEU 23 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2yua h LEU 23 CO -0.76 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 177.95 2yua n GLY 24 N 0.93 1.70 3.83 0.83 0.00 -0.78 -4.89 105.19 106.80 2yua n GLY 24 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 4.88 0.83 1.61 -7.23 -0.63 -5.00 120.40 112.87 2yua s VAL 25 Ca 0.00 -0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 2yua s VAL 25 Cb 0.00 -3.33 0.09 0.00 0.56 0.00 0.00 36.38 33.70 2yua s VAL 25 CO 0.00 0.19 1.09 -2.16 -0.31 0.00 0.00 175.10 173.91 2yua s PRO 26 N -2.25 1.76 0.37 4.82 0.04 -1.26 -4.42 135.00 134.06 2yua s PRO 26 Ca 0.29 1.00 0.26 0.00 0.04 0.00 0.00 61.00 62.60 2yua s PRO 26 Cb -0.12 -1.85 1.34 0.00 0.04 0.00 0.00 34.50 33.90 2yua s PRO 26 CO 0.22 -1.95 1.80 0.66 0.04 0.00 0.00 177.00 177.77 2yua h SER 27 N -1.34 0.00 -0.12 6.66 4.64 -1.95 -0.52 113.55 120.92 2yua h SER 27 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2yua h SER 27 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2yua h SER 27 CO 0.53 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.56 2yua n THR 28 N -2.42 1.75 -0.39 2.95 5.66 -1.26 -5.05 114.28 115.52 2yua n THR 28 Ca -0.01 -1.78 -0.21 0.00 -3.05 0.00 0.00 64.05 59.00 2yua n THR 28 Cb 0.09 -0.03 0.20 0.00 -1.55 0.00 0.00 70.33 69.05 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 -0.76 -3.61 -2.48 1.79 0.00 -0.20 -5.03 120.51 110.22 2yua n ALA 29 Ca 0.14 -1.05 -0.25 0.00 0.00 0.00 0.00 53.44 52.28 2yua n ALA 29 Cb 0.63 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.07 1.93 0.15 0.00 -1.32 -1.26 -4.99 115.64 108.08 2yua s THR 30 Ca 0.46 -1.67 -0.19 0.00 -1.21 0.00 0.00 61.69 59.07 2yua s THR 30 Cb -0.08 -1.75 0.05 0.00 -1.51 0.00 0.00 72.50 69.21 2yua s THR 30 CO 0.38 -0.04 1.18 1.67 -2.21 0.00 0.00 174.62 175.61 2yua n GLN 31 N 0.91 -0.27 -0.35 7.08 -0.06 -1.26 1.00 117.38 124.43 2yua n GLN 31 Ca -0.18 1.17 0.09 0.00 -2.00 0.00 0.00 57.00 56.08 2yua n GLN 31 Cb 0.54 -1.72 0.20 0.00 -4.06 0.00 0.00 30.24 25.19 2yua n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2yua n ALA 32 N -3.50 0.34 0.07 1.69 0.00 -1.26 -0.67 120.51 117.18 2yua n ALA 32 Ca 0.04 1.09 -0.03 0.00 0.00 0.00 0.00 53.44 54.54 2yua n ALA 32 Cb 0.25 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 2yua n ALA 32 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2yua h GLN 33 N 0.00 -0.20 -1.12 0.00 4.20 0.24 -0.95 115.11 117.29 2yua h GLN 33 Ca 0.53 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.63 2yua h GLN 33 Cb 0.93 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.64 2yua h GLN 33 CO -1.00 -0.13 0.72 -0.89 -0.67 0.00 0.00 178.83 176.87 2yua n ILE 34 N -2.91 -0.19 -0.01 2.54 5.41 -0.65 -0.41 119.36 123.15 2yua n ILE 34 Ca -0.03 1.42 -0.01 0.00 1.00 0.00 0.00 62.75 65.14 2yua n ILE 34 Cb 0.08 -2.34 -0.00 0.00 -0.71 0.00 0.00 39.64 36.67 2yua n ILE 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2yua h LYS 35 N 0.00 -0.06 -1.24 0.38 3.64 -0.90 -3.04 116.57 115.35 2yua h LYS 35 Ca 0.70 0.00 0.39 0.00 -1.27 0.00 0.00 60.65 60.47 2yua h LYS 35 Cb 2.29 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 34.00 2yua h LYS 35 CO -0.36 -0.04 0.80 0.00 -2.27 0.00 0.00 179.45 177.58 2yua h ALA 36 N -1.35 2.59 0.29 5.00 0.00 0.64 -1.39 119.26 125.04 2yua h ALA 36 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2yua h ALA 36 Cb 0.05 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2yua h ALA 36 CO 0.01 -1.16 -0.14 0.00 0.00 0.00 0.00 179.25 177.96 2yua h ALA 37 N 1.61 -0.80 -0.93 0.00 0.00 -0.84 -2.70 119.26 115.59 2yua h ALA 37 Ca 0.76 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.81 2yua h ALA 37 Cb 2.28 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 20.05 2yua h ALA 37 CO -0.39 -0.77 -0.05 -0.92 0.00 0.00 0.00 179.25 177.13 2yua h TYR 38 N -0.52 -0.17 -0.44 0.00 3.20 -1.16 0.45 116.97 118.32 2yua h TYR 38 Ca -0.04 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2yua h TYR 38 Cb 0.30 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 2yua h TYR 38 CO 0.09 -0.39 0.09 1.88 -1.64 0.00 0.00 178.16 178.19 2yua h TYR 39 N 0.03 0.15 -0.34 -3.82 -1.99 -1.38 -2.22 116.97 107.39 2yua h TYR 39 Ca 0.52 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.35 2yua h TYR 39 Cb 0.99 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.65 2yua h TYR 39 CO -0.55 0.01 -0.11 0.00 -0.00 0.00 0.00 178.16 177.51 2yua h ARG 40 N 0.22 -0.04 -0.56 4.88 2.47 0.23 -1.79 114.38 119.79 2yua h ARG 40 Ca 0.22 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 59.05 2yua h ARG 40 Cb 0.27 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.50 2yua h ARG 40 CO -0.28 -0.02 -0.08 1.96 0.56 0.00 0.00 179.97 182.11 2yua h GLN 41 N -0.04 0.05 0.44 0.04 7.50 -0.95 -1.80 115.11 120.36 2yua h GLN 41 Ca 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 2yua h GLN 41 Cb 0.29 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 2yua h GLN 41 CO -0.37 0.03 -0.44 0.00 -1.50 0.00 0.00 178.83 176.55 2yua h PHE 43 N -0.88 -0.18 -0.17 0.00 3.04 -0.96 0.60 116.94 118.39 2yua h PHE 43 Ca -0.06 0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.01 2yua h PHE 43 Cb 0.76 0.22 -0.07 0.00 2.56 0.00 0.00 35.95 39.43 2yua h PHE 43 CO -0.23 -0.35 -0.33 -0.07 -2.02 0.00 0.00 178.31 175.31 2yua h LEU 44 N 0.04 -1.05 -7.64 0.59 3.38 -0.95 -3.37 115.31 106.31 2yua h LEU 44 Ca 0.48 0.16 -0.62 0.00 0.09 0.00 0.00 57.88 57.99 2yua h LEU 44 Cb 0.88 0.45 -0.38 0.00 0.09 0.00 0.00 40.66 41.70 2yua h LEU 44 CO -0.84 -0.36 -0.78 -0.31 0.09 0.00 0.00 178.44 176.24 2yua s TYR 45 N -5.98 2.59 0.27 1.13 2.02 0.20 -5.07 117.35 112.49 2yua s TYR 45 Ca -0.15 -1.94 -0.01 0.00 -0.37 0.00 0.00 57.07 54.60 2yua s TYR 45 Cb 0.11 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 2yua s TYR 45 CO 0.66 -0.81 0.47 -1.01 -1.57 0.00 0.00 175.55 173.29 2yua s HIS 46 N 1.33 3.48 -0.68 2.71 3.76 -1.18 -4.61 115.29 120.10 2yua s HIS 46 Ca -0.04 0.38 0.20 0.00 -0.15 0.00 0.00 55.06 55.45 2yua s HIS 46 Cb -0.19 -1.90 0.83 0.00 1.11 0.00 0.00 32.58 32.44 2yua s HIS 46 CO -0.07 0.26 1.61 -0.35 -0.85 0.00 0.00 174.74 175.34 2yua n PRO 47 N -1.11 0.12 -0.10 8.40 -0.04 -1.26 -2.81 135.00 138.20 2yua n PRO 47 Ca -0.04 0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 63.54 2yua n PRO 47 Cb 0.55 -1.73 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.95 1.95 0.07 3.54 9.92 -1.26 -4.62 116.55 124.20 2yua n ASP 48 Ca 0.03 0.30 -0.03 0.00 -0.53 0.00 0.00 54.79 54.56 2yua n ASP 48 Cb 0.20 -0.85 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 2yua n ASP 48 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2yua h ARG 49 N -0.70 -0.20 -5.22 -1.24 2.47 -1.96 -3.37 114.38 104.16 2yua h ARG 49 Ca -0.48 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.15 2yua h ARG 49 Cb 1.58 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.92 2yua h ARG 49 CO -0.20 -0.13 0.60 0.09 0.56 0.00 0.00 179.97 180.88 2yua n ASN 50 N -2.70 0.75 -0.06 7.04 3.02 -1.12 -4.72 115.26 117.46 2yua n ASN 50 Ca -0.03 -1.30 -0.13 0.00 -0.03 0.00 0.00 54.58 53.09 2yua n ASN 50 Cb 0.09 -1.33 -0.07 0.00 -0.61 0.00 0.00 39.78 37.87 2yua n ASN 50 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2yua h SER 51 N 12.05 0.50 -0.82 6.41 0.02 -1.89 -3.40 113.55 126.42 2yua h SER 51 Ca 0.01 -0.50 -0.33 0.00 -0.84 0.00 0.00 61.79 60.13 2yua h SER 51 Cb 1.04 -0.14 -0.30 0.00 0.14 0.00 0.00 62.40 63.14 2yua h SER 51 CO 1.17 0.90 -0.86 0.61 -1.14 0.00 0.00 176.83 177.52 2yua n GLY 52 N 0.26 1.80 3.83 -3.77 0.00 -1.26 -5.12 105.19 100.93 2yua n GLY 52 Ca -0.06 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.18 6.93 -0.22 1.61 0.15 -1.26 -5.01 113.70 113.72 2yua s SER 53 Ca 0.28 1.13 -0.16 0.00 0.70 0.00 0.00 55.95 57.90 2yua s SER 53 Cb 0.39 -2.31 -0.10 0.00 -1.71 0.00 0.00 66.02 62.29 2yua s SER 53 CO -0.04 0.24 -0.24 0.00 1.20 0.00 0.00 173.24 174.40 2yua n ALA 54 N 1.46 0.93 -0.25 5.45 0.00 -1.26 -3.77 120.51 123.07 2yua n ALA 54 Ca -0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 2yua n ALA 54 Cb 0.51 -0.02 0.07 0.00 0.00 0.00 0.00 19.45 20.01 2yua n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yua h GLU 55 N -1.00 0.88 -0.48 0.00 5.08 -2.00 -2.53 114.58 114.53 2yua h GLU 55 Ca -0.33 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2yua h GLU 55 Cb 1.22 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2yua h GLU 55 CO -0.20 0.58 0.23 0.00 -1.00 0.00 0.00 179.01 178.62 2yua h ALA 56 N 1.28 0.62 0.24 3.43 0.00 -2.00 -2.37 119.26 120.46 2yua h ALA 56 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2yua h ALA 56 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2yua h ALA 56 CO -0.08 0.18 -0.51 0.00 0.00 0.00 0.00 179.25 178.84 2yua h ALA 57 N 1.07 -1.00 0.15 0.00 0.00 -1.55 0.27 119.26 118.20 2yua h ALA 57 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2yua h ALA 57 Cb 0.12 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2yua h ALA 57 CO -0.02 -1.12 -0.27 0.93 0.00 0.00 0.00 179.25 178.77 2yua h GLU 58 N -0.82 -0.43 -0.77 0.00 4.39 -1.45 -1.82 114.58 113.69 2yua h GLU 58 Ca -0.02 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.88 2yua h GLU 58 Cb 0.79 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.40 2yua h GLU 58 CO -0.21 -0.29 -0.04 -0.09 -1.16 0.00 0.00 179.01 177.22 2yua h ARG 59 N -0.45 0.07 -0.73 2.33 2.43 -1.37 0.23 114.38 116.88 2yua h ARG 59 Ca -0.02 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2yua h ARG 59 Cb 0.42 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.85 2yua h ARG 59 CO -0.09 0.05 0.26 0.35 -1.51 0.00 0.00 179.97 179.03 2yua h PHE 60 N 0.07 0.44 -0.41 2.20 3.57 -0.06 0.20 116.94 122.96 2yua h PHE 60 Ca 0.41 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.97 2yua h PHE 60 Cb 0.72 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2yua h PHE 60 CO -0.47 0.03 0.24 1.15 -2.23 0.00 0.00 178.31 177.03 2yua h THR 61 N 0.40 1.04 0.02 4.41 2.02 0.29 -2.49 112.91 118.59 2yua h THR 61 Ca 0.40 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.42 2yua h THR 61 Cb 0.62 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2yua h THR 61 CO -0.42 0.09 -0.01 0.03 0.37 0.00 0.00 175.52 175.58 2yua h ARG 62 N 0.48 -0.02 -0.57 6.66 3.08 -0.73 -3.23 114.38 120.05 2yua h ARG 62 Ca 0.16 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.28 2yua h ARG 62 Cb 0.01 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 2yua h ARG 62 CO -0.08 0.26 -0.52 0.82 -1.07 0.00 0.00 179.97 179.39 2yua h ILE 63 N -0.31 0.03 -0.91 2.04 2.04 -0.52 0.66 117.51 120.54 2yua h ILE 63 Ca -0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.09 2yua h ILE 63 Cb 0.30 0.03 -0.16 0.00 -0.74 0.00 0.00 36.82 36.24 2yua h ILE 63 CO 0.00 0.00 0.03 0.77 0.00 0.00 0.00 178.15 178.96 2yua h SER 64 N -0.27 -0.41 -0.69 1.72 4.64 -1.48 0.42 113.55 117.48 2yua h SER 64 Ca 0.13 0.25 0.15 0.00 -0.47 0.00 0.00 61.79 61.84 2yua h SER 64 Cb 0.56 0.43 -0.11 0.00 -0.31 0.00 0.00 62.40 62.97 2yua h SER 64 CO -0.69 -0.28 0.10 1.56 -0.87 0.00 0.00 176.83 176.65 2yua h GLN 65 N 0.06 0.19 -0.97 4.77 4.20 -0.88 0.15 115.11 122.63 2yua h GLN 65 Ca 0.54 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.37 2yua h GLN 65 Cb 1.05 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.71 2yua h GLN 65 CO -0.83 0.13 0.61 0.00 -0.67 0.00 0.00 178.83 178.07 2yua h ALA 66 N 1.60 1.63 -0.11 3.87 0.00 -0.02 0.31 119.26 126.53 2yua h ALA 66 Ca 0.38 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2yua h ALA 66 Cb 0.64 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2yua h ALA 66 CO -0.53 0.10 0.00 0.98 0.00 0.00 0.00 179.25 179.81 2yua n TYR 67 N -4.62 0.42 0.03 0.00 9.36 0.50 -3.22 117.16 119.62 2yua n TYR 67 Ca 0.19 -0.15 -0.01 0.00 3.32 0.00 0.00 57.90 61.25 2yua n TYR 67 Cb 0.42 -0.18 -0.00 0.00 -0.63 0.00 0.00 39.34 38.94 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 0.12 0.94 -0.12 2.97 0.31 0.10 -3.87 118.33 118.78 2yua n VAL 68 Ca 0.06 0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.61 2yua n VAL 68 Cb 0.44 -1.62 0.16 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.08 1.24 0.00 2.52 2.07 -1.58 -3.16 116.25 117.27 2yua h VAL 69 Ca -0.02 -0.96 -0.21 0.00 0.82 0.00 0.00 66.70 66.33 2yua h VAL 69 Cb 0.35 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2yua h VAL 69 CO -0.01 0.34 -2.10 0.18 0.02 0.00 0.00 177.57 176.01 2yua n LEU 70 N -4.23 0.14 -0.33 2.57 4.77 -1.20 -2.81 117.00 115.92 2yua n LEU 70 Ca 0.03 0.06 0.27 0.00 -0.03 0.00 0.00 56.01 56.35 2yua n LEU 70 Cb 0.28 0.26 0.52 0.00 -2.33 0.00 0.00 43.42 42.15 2yua n LEU 70 CO 0.41 0.28 1.02 1.23 -1.33 0.00 0.00 177.39 179.00 2yua h GLY 71 N 3.95 2.05 -5.78 -0.72 0.00 -1.65 -3.37 103.07 97.55 2yua h GLY 71 Ca -0.30 -0.10 -0.64 0.00 0.00 0.00 0.00 47.33 46.28 2yua h GLY 71 CO 0.02 -0.71 -0.63 -0.45 0.00 0.00 0.00 176.54 174.78 2yua s SER 72 N -4.67 5.15 0.08 0.19 0.15 -1.25 -5.00 113.70 108.35 2yua s SER 72 Ca -0.10 0.00 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 2yua s SER 72 Cb 0.32 -1.76 -0.11 0.00 -1.71 0.00 0.00 66.02 62.76 2yua s SER 72 CO 0.78 0.22 1.43 0.00 1.20 0.00 0.00 173.24 176.87 2yua h ALA 73 N 6.31 -0.90 -0.46 5.45 0.00 -1.91 -2.77 119.26 124.98 2yua h ALA 73 Ca -0.38 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.49 2yua h ALA 73 Cb 1.18 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 2yua h ALA 73 CO 0.63 -1.00 -0.27 2.41 0.00 0.00 0.00 179.25 181.02 2yua n THR 74 N -4.78 -0.31 -0.25 0.00 -1.04 -1.26 -0.75 114.28 105.89 2yua n THR 74 Ca -0.07 1.58 -0.10 0.00 -2.04 0.00 0.00 64.05 63.43 2yua n THR 74 Cb 0.32 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.74 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 -1.67 -0.92 -4.42 3.38 -1.76 0.24 115.31 110.16 2yua h LEU 75 Ca 0.07 0.24 0.28 0.00 0.09 0.00 0.00 57.88 58.56 2yua h LEU 75 Cb 0.19 0.72 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 2yua h LEU 75 CO -0.43 -0.25 0.12 -1.14 0.09 0.00 0.00 178.44 176.83 2yua n ARG 76 N -4.85 -0.07 -0.20 1.13 0.63 0.07 0.21 116.66 113.58 2yua n ARG 76 Ca -0.00 1.36 -0.07 0.00 -0.92 0.00 0.00 57.85 58.21 2yua n ARG 76 Cb 0.24 -2.21 0.07 0.00 0.45 0.00 0.00 32.46 31.00 2yua n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yua h ARG 77 N 0.00 1.02 0.90 -0.14 3.08 -0.07 -2.48 114.38 116.69 2yua h ARG 77 Ca 0.61 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2yua h ARG 77 Cb 1.34 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2yua h ARG 77 CO -0.84 0.97 -0.48 0.87 -1.07 0.00 0.00 179.97 179.43 2yua h LYS 78 N 0.94 -1.22 -0.74 0.04 1.57 0.33 -2.49 116.57 115.00 2yua h LYS 78 Ca 0.18 0.08 0.19 0.00 -1.87 0.00 0.00 60.65 59.23 2yua h LYS 78 Cb 0.49 0.28 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 2yua h LYS 78 CO 0.02 -0.81 0.52 -0.92 -0.57 0.00 0.00 179.45 177.68 2yua h TYR 79 N -1.27 0.21 -0.69 -1.35 3.20 -1.32 0.18 116.97 115.93 2yua h TYR 79 Ca -0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.79 2yua h TYR 79 Cb 0.99 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 2yua h TYR 79 CO -0.04 0.07 0.42 0.22 -1.64 0.00 0.00 178.16 177.19 2yua h ASP 80 N 0.17 0.68 -0.13 -2.11 3.58 -0.99 -1.39 116.42 116.23 2yua h ASP 80 Ca 0.36 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.82 2yua h ASP 80 Cb 1.18 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2yua h ASP 80 CO -0.06 0.47 0.00 0.54 -2.88 0.00 0.00 179.24 177.30 2yua n ARG 81 N -4.69 1.96 -2.00 0.28 5.12 -0.09 -4.92 116.66 112.32 2yua n ARG 81 Ca 0.08 -1.42 -0.02 0.00 -1.93 0.00 0.00 57.85 54.56 2yua n ARG 81 Cb 0.10 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 29.95 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 1.25 0.30 0.10 -0.13 0.00 -0.25 -4.95 105.19 101.51 2yua n GLY 82 Ca 0.17 -0.82 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -9.94 0.99 3.38 -0.97 -3.47 115.31 105.30 2yua h LEU 83 Ca -0.04 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.39 2yua h LEU 83 Cb 1.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.86 2yua h LEU 83 CO 0.05 0.59 0.80 -0.22 0.09 0.00 0.00 178.44 179.74 2yua s LEU 84 N -5.82 4.32 0.22 1.67 2.96 -1.24 -4.89 118.68 115.89 2yua s LEU 84 Ca -0.03 3.06 -0.03 0.00 -0.22 0.00 0.00 54.13 56.91 2yua s LEU 84 Cb 0.09 -3.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2yua s LEU 84 CO 0.81 -0.89 0.22 -0.44 -1.32 0.00 0.00 176.35 174.72 2yua s SER 85 N -0.07 0.15 0.16 3.68 0.01 -1.26 -4.92 113.70 111.45 2yua s SER 85 Ca 0.54 -1.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.25 2yua s SER 85 Cb -0.47 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.23 2yua s SER 85 CO 0.62 -0.92 1.59 -2.24 0.41 0.00 0.00 173.24 172.70 2yua h ASP 86 N 2.52 -1.19 -0.96 2.44 2.03 -1.99 0.50 116.42 119.76 2yua h ASP 86 Ca -0.33 0.20 0.36 0.00 -0.73 0.00 0.00 57.03 56.53 2yua h ASP 86 Cb 1.25 0.54 -0.13 0.00 -0.83 0.00 0.00 39.33 40.16 2yua h ASP 86 CO 0.48 -0.34 0.57 -0.62 -1.03 0.00 0.00 179.24 178.30 2yua n GLU 87 N -5.42 -0.04 -0.03 4.15 1.02 -1.26 0.17 120.64 119.23 2yua n GLU 87 Ca 0.00 1.07 -0.14 0.00 -0.02 0.00 0.00 57.16 58.07 2yua n GLU 87 Cb 0.34 -2.01 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 2yua n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2yua h ASP 88 N 0.00 0.20 -0.42 1.62 5.19 -1.31 0.98 116.42 122.67 2yua h ASP 88 Ca 0.70 -0.66 0.06 0.00 -0.62 0.00 0.00 57.03 56.50 2yua h ASP 88 Cb 2.05 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 41.45 2yua h ASP 88 CO -0.51 0.83 0.12 -0.07 -3.12 0.00 0.00 179.24 176.49 2yua h LEU 89 N -0.42 0.09 0.14 1.55 3.38 0.19 -2.81 115.31 117.42 2yua h LEU 89 Ca -0.01 0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.72 2yua h LEU 89 Cb 0.83 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2yua h LEU 89 CO 0.03 0.08 -1.45 0.08 0.09 0.00 0.00 178.44 177.27 2yua h ARG 90 N 0.26 0.29 -5.66 1.13 0.11 -1.11 -3.50 114.38 105.91 2yua h ARG 90 Ca 0.20 -0.50 -0.09 0.00 0.10 0.00 0.00 59.98 59.69 2yua h ARG 90 Cb 0.22 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2yua h ARG 90 CO -0.23 1.19 -0.83 0.41 0.10 0.00 0.00 179.97 180.61 2yua n GLY 91 N 1.64 -1.48 0.23 0.08 0.00 0.34 -4.88 105.19 101.11 2yua n GLY 91 Ca -0.14 0.94 0.10 0.00 0.00 0.00 0.00 46.02 46.92 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 2.42 0.00 -5.62 1.61 0.13 -1.91 -3.42 132.00 125.21 2yua h PRO 92 Ca -0.13 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.67 2yua h PRO 92 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2yua h PRO 92 CO 0.16 0.22 1.04 0.20 -0.23 0.00 0.00 178.00 179.39 2yua s GLY 93 N -4.27 -0.36 -0.01 1.56 0.00 -1.26 -4.91 107.32 98.07 2yua s GLY 93 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2yua s GLY 93 CO 0.63 3.96 -0.04 -0.56 0.00 0.00 0.00 173.10 177.09 2yua s SER 94 N 10.63 0.54 0.00 1.64 0.01 -1.26 -5.02 113.70 120.24 2yua s SER 94 Ca 0.88 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2yua s SER 94 Cb -0.14 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2yua s SER 94 CO 0.17 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2yua n GLY 95 N 3.06 0.87 3.56 3.44 0.00 -1.26 -5.04 105.19 109.83 2yua n GLY 95 Ca -0.14 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.25 2.82 -0.07 1.61 0.04 -1.26 -4.90 135.00 132.99 2yua s PRO 96 Ca 0.00 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.53 2yua s PRO 96 Cb 0.00 -4.33 -0.15 0.00 0.04 0.00 0.00 34.50 30.06 2yua s PRO 96 CO 0.00 -2.49 0.85 0.43 0.04 0.00 0.00 177.00 175.83 2yua n SER 97 N 12.04 0.15 -3.64 6.66 7.64 -1.26 -4.94 113.62 130.27 2yua n SER 97 Ca 0.21 0.85 -0.04 0.00 1.01 0.00 0.00 58.87 60.90 2yua n SER 97 Cb 0.51 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.97 2yua n SER 97 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yua s SER 98 N 0.40 -0.58 0.00 6.43 0.01 -1.26 -5.33 113.70 113.37 2yua s SER 98 Ca 0.68 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2yua s SER 98 Cb -0.96 1.21 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2yua s SER 98 CO 0.45 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.56