#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 -0.09 0.08 1.61 0.01 -1.26 -5.18 113.70 108.87 2yua s SER 2 Ca 0.00 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 56.80 2yua s SER 2 Cb 0.00 0.36 0.04 0.00 0.21 0.00 0.00 66.02 66.63 2yua s SER 2 CO 0.00 -0.64 0.44 -0.55 0.41 0.00 0.00 173.24 172.90 2yua s SER 3 N -2.21 -0.31 -0.30 2.44 0.15 -1.26 -5.03 113.70 107.19 2yua s SER 3 Ca -0.03 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 2yua s SER 3 Cb -0.00 0.46 0.18 0.00 -1.71 0.00 0.00 66.02 64.95 2yua s SER 3 CO -0.05 -0.75 1.04 -0.83 1.20 0.00 0.00 173.24 173.85 2yua s GLY 4 N -2.30 -0.54 -0.29 9.45 0.00 -1.26 -5.16 107.32 107.22 2yua s GLY 4 Ca -0.02 2.54 -0.16 0.00 0.00 0.00 0.00 44.72 47.07 2yua s GLY 4 CO -0.06 3.89 0.98 -1.35 0.00 0.00 0.00 173.10 176.56 2yua s SER 5 N 2.95 -0.51 0.21 1.64 1.04 -1.26 -5.18 113.70 112.59 2yua s SER 5 Ca 0.07 0.82 -0.06 0.00 0.48 0.00 0.00 55.95 57.26 2yua s SER 5 Cb -0.08 1.19 -0.03 0.00 0.10 0.00 0.00 66.02 67.21 2yua s SER 5 CO -0.15 -0.13 0.26 -0.94 0.98 0.00 0.00 173.24 173.26 2yua s SER 6 N 1.29 0.07 0.08 7.02 1.04 -1.26 -5.10 113.70 116.84 2yua s SER 6 Ca -0.08 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2yua s SER 6 Cb -0.04 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2yua s SER 6 CO -0.15 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2yua n GLY 7 N -0.29 -4.23 3.34 7.32 0.00 -1.26 -5.11 105.19 104.95 2yua n GLY 7 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.35 -0.31 0.01 1.61 1.04 -1.26 -5.18 113.70 109.26 2yua s SER 8 Ca 0.00 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.17 2yua s SER 8 Cb 0.00 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.62 2yua s SER 8 CO 0.00 -0.72 0.53 -1.58 0.98 0.00 0.00 173.24 172.45 2yua s GLN 9 N -2.76 0.98 -0.01 4.02 0.74 -1.26 -5.14 119.66 116.22 2yua s GLN 9 Ca -0.03 -0.08 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 2yua s GLN 9 Cb -0.00 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 2yua s GLN 9 CO -0.04 -0.33 0.98 0.20 -0.55 0.00 0.00 175.29 175.55 2yua s GLY 10 N -1.63 2.84 -0.30 2.59 0.00 -1.26 -5.01 107.32 104.55 2yua s GLY 10 Ca -0.08 0.51 -0.04 0.00 0.00 0.00 0.00 44.72 45.11 2yua s GLY 10 CO 0.03 1.71 0.72 0.51 0.00 0.00 0.00 173.10 176.07 2yua s ASP 11 N 1.02 -1.14 -0.78 1.64 -4.77 -1.26 -5.09 116.67 106.28 2yua s ASP 11 Ca 0.51 0.72 -0.25 0.00 -3.30 0.00 0.00 52.55 50.23 2yua s ASP 11 Cb -0.21 1.96 -0.17 0.00 -1.09 0.00 0.00 42.92 43.41 2yua s ASP 11 CO 0.27 -0.21 2.48 0.00 0.70 0.00 0.00 175.17 178.41 2yua s SER 13 N 9.23 -0.12 0.43 0.00 1.04 -1.26 -5.14 113.70 117.88 2yua s SER 13 Ca 1.16 0.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 2yua s SER 13 Cb -0.65 0.33 -0.11 0.00 0.10 0.00 0.00 66.02 65.69 2yua s SER 13 CO 0.36 -0.21 -0.17 0.00 0.98 0.00 0.00 173.24 174.20 2yua n TYR 14 N 2.28 -2.41 -3.60 5.02 0.18 -1.26 -4.87 117.16 112.49 2yua n TYR 14 Ca -0.17 0.29 -0.39 0.00 1.88 0.00 0.00 57.90 59.51 2yua n TYR 14 Cb 0.57 -1.23 -0.07 0.00 -0.38 0.00 0.00 39.34 38.23 2yua n TYR 14 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2yua s SER 15 N -0.75 5.84 -0.03 9.48 0.01 -1.26 -4.81 113.70 122.18 2yua s SER 15 Ca 0.41 -3.08 -0.05 0.00 1.31 0.00 0.00 55.95 54.54 2yua s SER 15 Cb -0.34 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2yua s SER 15 CO 0.51 -0.36 -0.10 0.54 0.41 0.00 0.00 173.24 174.24 2yua n ARG 16 N 3.25 0.16 -0.06 12.44 3.00 -1.26 -4.64 116.66 129.55 2yua n ARG 16 Ca 0.13 0.07 0.01 0.00 -0.01 0.00 0.00 57.85 58.05 2yua n ARG 16 Cb 0.40 -0.78 0.03 0.00 0.00 0.00 0.00 32.46 32.11 2yua n ARG 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2yua n THR 17 N -3.56 0.18 -0.07 0.55 -1.04 -1.26 -3.88 114.28 105.20 2yua n THR 17 Ca -0.10 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 2yua n THR 17 Cb 0.39 -0.34 -0.05 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 2.42 0.05 -1.62 2.41 0.00 -1.93 -3.26 119.26 117.33 2yua h ALA 18 Ca 0.00 -0.48 0.48 0.00 0.00 0.00 0.00 54.91 54.90 2yua h ALA 18 Cb 0.47 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2yua h ALA 18 CO 0.03 0.28 1.15 -0.07 0.00 0.00 0.00 179.25 180.65 2yua h LEU 19 N -1.00 0.04 -0.14 0.00 3.38 -1.88 1.63 115.31 117.34 2yua h LEU 19 Ca -0.07 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 2yua h LEU 19 Cb 0.60 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2yua h LEU 19 CO -0.04 -0.02 -0.98 1.88 0.09 0.00 0.00 178.44 179.37 2yua h TYR 20 N 0.02 0.49 -0.24 1.13 -1.99 -1.80 -3.25 116.97 111.32 2yua h TYR 20 Ca 0.79 -0.28 -0.09 0.00 2.00 0.00 0.00 58.73 61.15 2yua h TYR 20 Cb 3.09 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 41.77 2yua h TYR 20 CO -0.00 1.12 -0.22 0.22 -0.00 0.00 0.00 178.16 179.29 2yua h ASP 21 N 0.16 0.60 -0.58 3.88 1.82 0.23 0.38 116.42 122.91 2yua h ASP 21 Ca -0.08 -0.47 0.12 0.00 -0.39 0.00 0.00 57.03 56.21 2yua h ASP 21 Cb 1.64 -0.17 -0.09 0.00 0.68 0.00 0.00 39.33 41.39 2yua h ASP 21 CO 0.16 0.95 0.05 -0.07 -1.61 0.00 0.00 179.24 178.72 2yua h LEU 22 N 0.27 -0.15 0.00 2.28 4.07 -1.28 -3.16 115.31 117.34 2yua h LEU 22 Ca 0.04 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 2yua h LEU 22 Cb 0.77 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 2yua h LEU 22 CO 0.06 -0.06 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.15 2yua h LEU 23 N 0.17 0.00 0.00 1.67 4.07 -1.58 -3.50 115.31 116.14 2yua h LEU 23 Ca 0.31 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2yua h LEU 23 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2yua h LEU 23 CO -0.45 0.63 0.00 0.61 -1.08 0.00 0.00 178.44 178.14 2yua n GLY 24 N 1.72 1.89 3.71 0.83 0.00 0.13 -4.95 105.19 108.52 2yua n GLY 24 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2yua n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yua s VAL 25 N -1.89 4.07 0.80 1.61 -7.23 -0.94 -4.95 120.40 111.87 2yua s VAL 25 Ca 0.00 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 2yua s VAL 25 Cb 0.00 -3.00 0.07 0.00 0.56 0.00 0.00 36.38 34.02 2yua s VAL 25 CO 0.00 0.01 1.09 -2.16 -0.31 0.00 0.00 175.10 173.73 2yua s PRO 26 N -2.66 2.02 0.42 4.82 0.04 -1.26 -4.66 135.00 133.71 2yua s PRO 26 Ca 0.28 1.09 0.28 0.00 0.04 0.00 0.00 61.00 62.69 2yua s PRO 26 Cb -0.11 -1.88 1.52 0.00 0.04 0.00 0.00 34.50 34.08 2yua s PRO 26 CO 0.20 -1.79 1.86 1.03 0.04 0.00 0.00 177.00 178.34 2yua h SER 27 N -1.23 0.00 -0.14 6.66 0.87 -1.99 -0.93 113.55 116.79 2yua h SER 27 Ca -0.45 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 2yua h SER 27 Cb 1.24 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.07 2yua h SER 27 CO 0.52 0.00 -0.64 1.07 -0.53 0.00 0.00 176.83 177.25 2yua n THR 28 N -2.49 1.95 -0.19 2.23 5.66 -1.26 -5.07 114.28 115.11 2yua n THR 28 Ca -0.02 -3.10 -0.26 0.00 -3.05 0.00 0.00 64.05 57.62 2yua n THR 28 Cb 0.05 -0.18 0.25 0.00 -1.55 0.00 0.00 70.33 68.90 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 -0.83 -4.47 -2.42 1.79 0.00 -0.36 -5.06 120.51 109.17 2yua n ALA 29 Ca 0.21 -1.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.14 2yua n ALA 29 Cb 0.80 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.93 1.80 0.29 0.00 -4.23 -1.26 -4.97 115.64 105.35 2yua s THR 30 Ca 0.57 -2.19 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2yua s THR 30 Cb -0.10 -2.33 0.28 0.00 1.34 0.00 0.00 72.50 71.70 2yua s THR 30 CO 0.48 -0.39 1.75 1.56 -0.54 0.00 0.00 174.62 177.48 2yua h GLN 31 N 2.34 0.62 -0.80 3.99 4.20 -1.98 0.18 115.11 123.67 2yua h GLN 31 Ca -0.40 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.33 2yua h GLN 31 Cb 1.23 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 2yua h GLN 31 CO 0.65 0.41 0.49 0.00 -0.67 0.00 0.00 178.83 179.71 2yua h ALA 32 N 1.64 1.08 0.06 3.87 0.00 -1.99 -1.49 119.26 122.43 2yua h ALA 32 Ca 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 2yua h ALA 32 Cb 0.90 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2yua h ALA 32 CO -0.41 0.23 -0.03 1.96 0.00 0.00 0.00 179.25 181.00 2yua h GLN 33 N 0.90 -0.08 -0.95 0.00 4.20 -1.30 -2.07 115.11 115.82 2yua h GLN 33 Ca 0.34 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.44 2yua h GLN 33 Cb 0.14 0.02 -0.16 0.00 0.30 0.00 0.00 27.48 27.79 2yua h GLN 33 CO -0.16 -0.05 0.53 -0.89 -0.67 0.00 0.00 178.83 177.59 2yua n ILE 34 N -3.34 -0.35 0.01 2.54 5.41 0.41 0.09 119.36 124.13 2yua n ILE 34 Ca -0.01 1.78 -0.10 0.00 1.00 0.00 0.00 62.75 65.42 2yua n ILE 34 Cb 0.03 -2.90 -0.08 0.00 -0.71 0.00 0.00 39.64 35.98 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 -0.12 -0.99 0.38 3.64 -1.38 -3.08 116.57 115.02 2yua h LYS 35 Ca 0.76 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 60.39 2yua h LYS 35 Cb 2.09 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.85 2yua h LYS 35 CO -0.65 0.37 0.64 0.00 -2.27 0.00 0.00 179.45 177.54 2yua h ALA 36 N -0.31 2.15 0.66 5.00 0.00 0.41 -2.21 119.26 124.96 2yua h ALA 36 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2yua h ALA 36 Cb 0.55 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2yua h ALA 36 CO 0.02 -0.51 -0.32 0.00 0.00 0.00 0.00 179.25 178.44 2yua h ALA 37 N 1.62 -1.06 -1.36 0.00 0.00 -0.72 -1.89 119.26 115.84 2yua h ALA 37 Ca 0.55 -0.20 0.40 0.00 0.00 0.00 0.00 54.91 55.66 2yua h ALA 37 Cb 1.31 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2yua h ALA 37 CO -0.26 -1.00 0.94 -0.92 0.00 0.00 0.00 179.25 178.01 2yua h TYR 38 N -1.03 0.23 0.00 0.00 3.20 -1.32 -0.41 116.97 117.64 2yua h TYR 38 Ca -0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2yua h TYR 38 Cb 0.68 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2yua h TYR 38 CO 0.04 -0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 2yua n TYR 39 N -4.32 0.00 -0.48 -3.82 4.02 -0.94 -3.43 117.16 108.19 2yua n TYR 39 Ca 0.32 0.00 0.41 0.00 -0.01 0.00 0.00 57.90 58.62 2yua n TYR 39 Cb 1.38 -0.49 0.72 0.00 -0.02 0.00 0.00 39.34 40.94 2yua n TYR 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 2yua h ARG 40 N 0.00 0.06 -0.31 -0.72 0.11 -0.71 0.37 114.38 113.18 2yua h ARG 40 Ca 0.00 -0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.12 2yua h ARG 40 Cb 0.00 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.02 2yua h ARG 40 CO 0.00 0.04 0.04 1.96 0.10 0.00 0.00 179.97 182.11 2yua h GLN 41 N 0.06 0.14 -0.76 0.08 1.08 -1.14 -1.99 115.11 112.58 2yua h GLN 41 Ca 0.77 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 58.06 2yua h GLN 41 Cb 2.78 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 30.10 2yua h GLN 41 CO -0.16 0.09 0.39 0.00 -0.95 0.00 0.00 178.83 178.21 2yua h PHE 43 N 0.63 -0.90 -0.94 0.00 3.04 -1.37 -2.65 116.94 114.75 2yua h PHE 43 Ca 0.39 0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.58 2yua h PHE 43 Cb 0.44 0.34 -0.18 0.00 2.56 0.00 0.00 35.95 39.11 2yua h PHE 43 CO -0.10 -0.49 -0.05 1.28 -2.02 0.00 0.00 178.31 176.93 2yua n LEU 44 N -5.46 -0.17 -4.21 0.59 4.77 -0.94 -2.69 117.00 108.90 2yua n LEU 44 Ca -0.10 1.61 -0.41 0.00 -0.03 0.00 0.00 56.01 57.07 2yua n LEU 44 Cb 0.36 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2yua n LEU 44 CO 0.30 -1.60 0.26 -0.31 -1.33 0.00 0.00 177.39 174.71 2yua s TYR 45 N -5.99 3.63 0.33 -1.77 1.51 -1.00 -5.06 117.35 108.99 2yua s TYR 45 Ca -0.13 -2.44 -0.28 0.00 -1.01 0.00 0.00 57.07 53.21 2yua s TYR 45 Cb 0.27 -3.49 -0.10 0.00 -0.11 0.00 0.00 41.96 38.53 2yua s TYR 45 CO 0.73 -0.90 1.22 -1.58 -1.11 0.00 0.00 175.55 173.91 2yua s HIS 46 N -0.15 3.22 0.06 2.71 2.46 -1.10 -4.85 115.29 117.64 2yua s HIS 46 Ca 0.19 1.53 -0.19 0.00 0.47 0.00 0.00 55.06 57.06 2yua s HIS 46 Cb -0.14 -3.51 -0.13 0.00 -0.13 0.00 0.00 32.58 28.67 2yua s HIS 46 CO -0.07 -1.35 1.37 -1.00 -2.47 0.00 0.00 174.74 171.22 2yua h PRO 47 N 3.39 0.46 0.06 2.88 0.13 -1.87 -2.90 132.00 134.15 2yua h PRO 47 Ca -0.48 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2yua h PRO 47 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2yua h PRO 47 CO 0.65 0.82 -0.03 0.22 -0.23 0.00 0.00 178.00 179.44 2yua h ASP 48 N 0.13 -0.06 -0.30 1.44 1.82 -2.02 -3.02 116.42 114.41 2yua h ASP 48 Ca 0.03 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.71 2yua h ASP 48 Cb 0.74 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.69 2yua h ASP 48 CO 0.05 -0.02 -0.18 0.03 -1.61 0.00 0.00 179.24 177.51 2yua h ARG 49 N -0.10 -0.14 -4.12 0.28 2.47 -1.97 -3.32 114.38 107.47 2yua h ARG 49 Ca -0.01 0.01 -0.73 0.00 -1.26 0.00 0.00 59.98 57.99 2yua h ARG 49 Cb 0.08 0.03 -0.30 0.00 -1.65 0.00 0.00 29.97 28.14 2yua h ARG 49 CO 0.01 -0.09 -0.32 -0.80 0.56 0.00 0.00 179.97 179.33 2yua s ASN 50 N -5.11 5.78 -1.23 7.04 0.01 -1.10 -5.01 114.94 115.32 2yua s ASN 50 Ca -0.14 -2.16 -0.17 0.00 -0.71 0.00 0.00 52.86 49.68 2yua s ASN 50 Cb 0.13 -2.02 0.10 0.00 0.41 0.00 0.00 41.25 39.88 2yua s ASN 50 CO 0.69 -0.63 1.60 -0.55 -1.51 0.00 0.00 177.10 176.70 2yua s SER 51 N 2.32 6.88 -0.40 -1.22 0.15 -1.23 -4.22 113.70 115.99 2yua s SER 51 Ca 0.09 -2.53 -0.01 0.00 0.70 0.00 0.00 55.95 54.20 2yua s SER 51 Cb -0.23 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 2yua s SER 51 CO -0.02 -1.06 0.34 0.61 1.20 0.00 0.00 173.24 174.31 2yua n GLY 52 N 5.11 0.17 3.83 9.45 0.00 -1.26 -5.03 105.19 117.46 2yua n GLY 52 Ca 0.43 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.32 6.72 -0.01 1.61 0.01 -1.26 -5.00 113.70 112.46 2yua s SER 53 Ca 0.07 1.67 -0.18 0.00 1.31 0.00 0.00 55.95 58.82 2yua s SER 53 Cb -0.01 -2.53 -0.34 0.00 0.21 0.00 0.00 66.02 63.35 2yua s SER 53 CO 0.26 -0.51 0.93 0.00 0.41 0.00 0.00 173.24 174.33 2yua h ALA 54 N 1.44 -0.11 -0.19 1.44 0.00 -1.99 -2.90 119.26 116.95 2yua h ALA 54 Ca -0.48 -0.83 -0.09 0.00 0.00 0.00 0.00 54.91 53.52 2yua h ALA 54 Cb 1.19 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2yua h ALA 54 CO 0.61 0.60 -0.22 0.93 0.00 0.00 0.00 179.25 181.17 2yua h GLU 55 N -0.05 0.49 -0.72 0.00 5.08 -2.03 -2.94 114.58 114.41 2yua h GLU 55 Ca -0.22 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2yua h GLU 55 Cb 1.97 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2yua h GLU 55 CO 0.22 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 179.09 2yua n ALA 56 N -2.46 2.78 -0.06 3.43 0.00 -1.26 -4.10 120.51 118.85 2yua n ALA 56 Ca -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 2yua n ALA 56 Cb 0.42 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 2yua n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yua n ALA 57 N 0.15 0.50 -0.08 0.00 0.00 -1.09 -3.86 120.51 116.12 2yua n ALA 57 Ca 0.07 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.92 2yua n ALA 57 Cb 0.43 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 2yua n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2yua h GLU 58 N -0.71 -0.07 0.18 0.00 4.11 -1.71 -2.44 114.58 113.94 2yua h GLU 58 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.45 2yua h GLU 58 Cb 0.57 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2yua h GLU 58 CO 0.00 -0.05 -0.39 -0.09 0.07 0.00 0.00 179.01 178.56 2yua h ARG 59 N -0.07 -0.63 -0.93 1.06 9.65 -1.81 -1.75 114.38 119.88 2yua h ARG 59 Ca 0.16 0.04 0.28 0.00 -1.10 0.00 0.00 59.98 59.36 2yua h ARG 59 Cb 0.31 0.14 -0.16 0.00 -1.39 0.00 0.00 29.97 28.88 2yua h ARG 59 CO -0.37 -0.42 0.27 0.35 2.80 0.00 0.00 179.97 182.60 2yua h PHE 60 N -0.66 0.39 -0.65 2.20 3.57 -1.58 0.64 116.94 120.87 2yua h PHE 60 Ca 0.01 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2yua h PHE 60 Cb 0.66 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2yua h PHE 60 CO -0.31 -0.29 0.18 1.15 -2.23 0.00 0.00 178.31 176.80 2yua h THR 61 N 0.15 1.25 0.30 4.41 2.02 -0.89 -3.05 112.91 117.10 2yua h THR 61 Ca 0.63 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2yua h THR 61 Cb 1.36 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2yua h THR 61 CO -0.73 0.34 -0.15 0.03 0.37 0.00 0.00 175.52 175.39 2yua h ARG 62 N 0.95 -0.39 -0.99 6.66 3.08 0.93 -3.16 114.38 121.46 2yua h ARG 62 Ca 0.21 0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.53 2yua h ARG 62 Cb 0.33 0.09 -0.18 0.00 0.08 0.00 0.00 29.97 30.28 2yua h ARG 62 CO -0.00 -0.08 -0.06 0.82 -1.07 0.00 0.00 179.97 179.58 2yua h ILE 63 N -0.72 0.02 -0.21 2.04 2.04 -0.80 0.32 117.51 120.20 2yua h ILE 63 Ca -0.04 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2yua h ILE 63 Cb 0.49 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2yua h ILE 63 CO 0.07 0.00 -0.21 0.28 0.00 0.00 0.00 178.15 178.29 2yua h SER 64 N 0.01 -0.68 -0.75 1.72 0.02 -1.50 -1.87 113.55 110.49 2yua h SER 64 Ca 0.56 0.12 0.16 0.00 -0.84 0.00 0.00 61.79 61.80 2yua h SER 64 Cb 1.07 0.32 -0.14 0.00 0.14 0.00 0.00 62.40 63.80 2yua h SER 64 CO -0.95 -0.26 -0.10 1.56 -1.14 0.00 0.00 176.83 175.95 2yua h GLN 65 N -0.23 0.04 -0.93 3.45 4.20 -0.38 0.69 115.11 121.95 2yua h GLN 65 Ca 0.13 -0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.09 2yua h GLN 65 Cb 0.42 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 2yua h GLN 65 CO -0.35 0.03 0.65 0.00 -0.67 0.00 0.00 178.83 178.49 2yua h ALA 66 N 1.73 2.67 -0.48 3.87 0.00 -1.13 0.56 119.26 126.48 2yua h ALA 66 Ca 0.39 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2yua h ALA 66 Cb 0.64 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2yua h ALA 66 CO -0.72 -0.95 0.26 0.98 0.00 0.00 0.00 179.25 178.81 2yua n TYR 67 N -4.35 1.54 0.07 0.00 9.36 0.24 -3.58 117.16 120.43 2yua n TYR 67 Ca 0.20 -1.00 0.00 0.00 3.32 0.00 0.00 57.90 60.42 2yua n TYR 67 Cb 0.92 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.19 0.65 -0.20 2.97 0.31 0.19 -4.32 118.33 117.74 2yua n VAL 68 Ca 0.28 0.21 -0.04 0.00 -0.01 0.00 0.00 64.34 64.78 2yua n VAL 68 Cb 1.04 -1.10 0.13 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.24 0.00 2.52 2.07 -1.70 -3.00 116.25 117.38 2yua h VAL 69 Ca 0.00 -0.84 -0.25 0.00 0.82 0.00 0.00 66.70 66.43 2yua h VAL 69 Cb 0.00 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2yua h VAL 69 CO 0.00 0.33 -1.58 -0.07 0.02 0.00 0.00 177.57 176.27 2yua h LEU 70 N 0.96 0.00 -1.48 2.57 3.38 -1.81 -3.02 115.31 115.91 2yua h LEU 70 Ca 0.21 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.54 2yua h LEU 70 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2yua h LEU 70 CO -0.01 0.88 1.16 1.23 0.09 0.00 0.00 178.44 181.79 2yua h GLY 71 N 3.54 0.00 -6.39 0.83 0.00 -1.67 -3.34 103.07 96.04 2yua h GLY 71 Ca -0.24 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.59 2yua h GLY 71 CO 0.07 0.00 -0.80 -0.45 0.00 0.00 0.00 176.54 175.36 2yua s SER 72 N -3.91 1.85 0.09 0.19 0.15 -1.25 -5.02 113.70 105.80 2yua s SER 72 Ca -0.04 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.12 2yua s SER 72 Cb 0.18 -0.75 -0.08 0.00 -1.71 0.00 0.00 66.02 63.66 2yua s SER 72 CO 0.61 -0.07 1.39 0.00 1.20 0.00 0.00 173.24 176.37 2yua h ALA 73 N 7.70 -0.69 -0.69 5.45 0.00 -1.87 -2.40 119.26 126.76 2yua h ALA 73 Ca -0.30 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2yua h ALA 73 Cb 1.15 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 19.81 2yua h ALA 73 CO 0.42 -0.86 -0.41 2.41 0.00 0.00 0.00 179.25 180.82 2yua n THR 74 N -4.58 -0.47 -0.26 0.00 -1.04 -1.26 -0.54 114.28 106.13 2yua n THR 74 Ca -0.03 1.73 -0.08 0.00 -2.04 0.00 0.00 64.05 63.63 2yua n THR 74 Cb 0.25 -2.15 -0.07 0.00 -1.82 0.00 0.00 70.33 66.55 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 -1.49 -0.88 -4.42 3.38 -1.67 0.13 115.31 110.35 2yua h LEU 75 Ca 0.11 0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.45 2yua h LEU 75 Cb 0.28 0.65 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 2yua h LEU 75 CO -0.65 -0.18 -0.29 0.54 0.09 0.00 0.00 178.44 177.95 2yua n ARG 76 N -4.58 -0.15 -0.12 1.13 1.74 0.30 0.20 116.66 115.18 2yua n ARG 76 Ca 0.01 1.36 -0.02 0.00 -0.77 0.00 0.00 57.85 58.43 2yua n ARG 76 Cb 0.19 -2.03 0.20 0.00 -1.02 0.00 0.00 32.46 29.81 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 0.80 0.88 5.56 3.08 -0.61 -2.72 114.38 121.37 2yua h ARG 77 Ca 0.35 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2yua h ARG 77 Cb 0.57 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.51 2yua h ARG 77 CO -0.89 0.72 -0.42 0.87 -1.07 0.00 0.00 179.97 179.18 2yua h LYS 78 N 0.77 -1.14 -1.01 0.04 1.57 0.42 -2.82 116.57 114.39 2yua h LYS 78 Ca 0.17 0.08 0.24 0.00 -1.87 0.00 0.00 60.65 59.27 2yua h LYS 78 Cb 0.29 0.26 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 2yua h LYS 78 CO -0.00 -0.76 0.63 -0.92 -0.57 0.00 0.00 179.45 177.83 2yua h TYR 79 N -1.25 0.86 -0.46 -1.35 3.20 -0.94 0.43 116.97 117.48 2yua h TYR 79 Ca -0.12 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.84 2yua h TYR 79 Cb 0.92 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 2yua h TYR 79 CO -0.00 0.10 0.14 0.22 -1.64 0.00 0.00 178.16 176.98 2yua h ASP 80 N 0.54 0.12 -0.43 -2.11 3.58 -1.24 -0.26 116.42 116.61 2yua h ASP 80 Ca 0.60 0.06 0.00 0.00 0.42 0.00 0.00 57.03 58.11 2yua h ASP 80 Cb 1.26 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2yua h ASP 80 CO -0.37 0.10 0.00 0.54 -2.88 0.00 0.00 179.24 176.63 2yua n ARG 81 N -5.04 2.00 -1.24 0.28 5.12 0.12 -4.89 116.66 113.02 2yua n ARG 81 Ca 0.04 -1.55 -0.08 0.00 -1.93 0.00 0.00 57.85 54.32 2yua n ARG 81 Cb 0.19 -1.34 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.19 1.02 0.18 -0.13 0.00 -0.02 -4.89 105.19 102.54 2yua n GLY 82 Ca 0.14 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -9.33 0.99 3.38 -0.47 -3.44 115.31 106.44 2yua h LEU 83 Ca -0.17 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.25 2yua h LEU 83 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2yua h LEU 83 CO 0.25 0.33 0.48 -0.22 0.09 0.00 0.00 178.44 179.37 2yua s LEU 84 N -6.49 4.30 0.23 1.67 2.96 -1.22 -4.87 118.68 115.27 2yua s LEU 84 Ca 0.04 1.60 0.09 0.00 -0.22 0.00 0.00 54.13 55.64 2yua s LEU 84 Cb 0.08 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2yua s LEU 84 CO 0.70 -0.37 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.76 2yua s SER 85 N 1.06 4.36 0.30 3.68 0.15 -1.26 -4.81 113.70 117.18 2yua s SER 85 Ca 0.50 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 2yua s SER 85 Cb -0.20 -0.76 0.67 0.00 -1.71 0.00 0.00 66.02 64.02 2yua s SER 85 CO 0.23 0.05 1.58 -2.24 1.20 0.00 0.00 173.24 174.05 2yua h ASP 86 N 2.39 -0.54 -0.87 5.45 3.04 -2.00 0.39 116.42 124.28 2yua h ASP 86 Ca -0.45 0.27 0.32 0.00 -3.24 0.00 0.00 57.03 53.94 2yua h ASP 86 Cb 1.23 0.49 -0.16 0.00 -1.04 0.00 0.00 39.33 39.85 2yua h ASP 86 CO 0.58 -0.33 0.31 1.21 -2.04 0.00 0.00 179.24 178.97 2yua n GLU 87 N -5.50 -0.06 0.08 4.15 0.00 -1.26 0.37 120.64 118.42 2yua n GLU 87 Ca 0.21 1.24 -0.12 0.00 0.00 0.00 0.00 57.16 58.49 2yua n GLU 87 Cb 0.69 -2.14 -0.08 0.00 0.00 0.00 0.00 31.44 29.91 2yua n GLU 87 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2yua h ASP 88 N 0.00 -0.21 -0.80 4.31 3.32 -0.46 -1.54 116.42 121.04 2yua h ASP 88 Ca 0.67 -0.31 0.11 0.00 0.02 0.00 0.00 57.03 57.52 2yua h ASP 88 Cb 1.66 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 41.14 2yua h ASP 88 CO -0.73 0.26 -0.44 -0.07 -1.72 0.00 0.00 179.24 176.55 2yua h LEU 89 N -0.75 -1.56 -0.29 1.55 3.38 -0.06 0.08 115.31 117.66 2yua h LEU 89 Ca -0.03 0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2yua h LEU 89 Cb 0.51 0.75 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2yua h LEU 89 CO 0.04 -0.30 0.08 0.08 0.09 0.00 0.00 178.44 178.43 2yua h ARG 90 N -0.10 0.46 0.00 1.13 0.11 -1.42 -3.48 114.38 111.08 2yua h ARG 90 Ca 0.24 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2yua h ARG 90 Cb 0.55 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2yua h ARG 90 CO -0.84 0.54 0.00 0.41 0.10 0.00 0.00 179.97 180.18 2yua n GLY 91 N -0.57 2.10 0.00 0.08 0.00 0.01 -4.81 105.19 102.00 2yua n GLY 91 Ca -0.02 -2.02 0.07 0.00 0.00 0.00 0.00 46.02 44.05 2yua n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yua n PRO 92 N -1.51 0.21 0.00 1.61 -0.04 -1.26 -4.61 135.00 129.40 2yua n PRO 92 Ca 0.00 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2yua n PRO 92 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2yua n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yua n GLY 93 N -0.03 -1.12 3.51 0.55 0.00 -1.26 -5.03 105.19 101.81 2yua n GLY 93 Ca 0.07 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 2yua n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 94 N -4.00 -0.63 0.05 1.61 1.04 -1.26 -5.17 113.70 105.34 2yua s SER 94 Ca 0.00 1.20 0.07 0.00 0.48 0.00 0.00 55.95 57.69 2yua s SER 94 Cb 0.00 1.21 -0.03 0.00 0.10 0.00 0.00 66.02 67.30 2yua s SER 94 CO 0.00 -0.22 -0.15 -0.83 0.98 0.00 0.00 173.24 173.02 2yua s GLY 95 N 0.27 1.65 1.14 7.32 0.00 -1.26 -5.13 107.32 111.31 2yua s GLY 95 Ca -0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.36 2yua s GLY 95 CO 0.01 -1.10 1.10 2.56 0.00 0.00 0.00 173.10 175.68 2yua s PRO 96 N -1.63 -0.72 0.70 2.90 0.04 -1.26 -5.05 135.00 129.97 2yua s PRO 96 Ca 0.16 0.11 -0.07 0.00 0.04 0.00 0.00 61.00 61.25 2yua s PRO 96 Cb -0.11 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 32.85 2yua s PRO 96 CO 0.07 -3.42 1.01 -1.12 0.04 0.00 0.00 177.00 173.59 2yua s SER 97 N -3.75 4.85 -0.20 6.66 0.01 -1.26 -5.07 113.70 114.94 2yua s SER 97 Ca 0.69 0.48 -0.06 0.00 1.31 0.00 0.00 55.95 58.37 2yua s SER 97 Cb -0.13 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.93 2yua s SER 97 CO 0.57 -1.57 0.04 -0.55 0.41 0.00 0.00 173.24 172.13 2yua s SER 98 N -4.51 5.16 0.00 2.44 0.15 -1.26 -5.36 113.70 110.33 2yua s SER 98 Ca 0.60 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2yua s SER 98 Cb -0.11 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2yua s SER 98 CO 0.45 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.58