#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua n SER 2 N 0.00 -0.27 -4.69 1.61 2.88 -1.26 -4.25 113.62 107.65 2yua n SER 2 Ca 0.00 1.26 -0.44 0.00 -1.33 0.00 0.00 58.87 58.37 2yua n SER 2 Cb 0.00 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 2yua n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yua n SER 3 N -5.19 3.82 -0.45 -3.46 7.64 -1.26 -4.00 113.62 110.71 2yua n SER 3 Ca 0.12 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2yua n SER 3 Cb 0.37 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 2yua n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yua n GLY 4 N 4.11 0.49 3.09 0.23 0.00 -1.26 -5.09 105.19 106.76 2yua n GLY 4 Ca 0.18 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 2yua n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 5 N -2.01 4.61 -1.11 1.61 1.04 -1.26 -4.73 113.70 111.86 2yua s SER 5 Ca 0.00 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 54.86 2yua s SER 5 Cb 0.00 -1.60 0.10 0.00 0.10 0.00 0.00 66.02 64.62 2yua s SER 5 CO 0.00 -0.24 0.38 -0.24 0.98 0.00 0.00 173.24 174.12 2yua n SER 6 N 4.46 -2.42 -4.55 7.02 2.88 -1.26 -4.81 113.62 114.94 2yua n SER 6 Ca -0.12 -0.39 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 2yua n SER 6 Cb 0.42 -2.08 -0.02 0.00 -0.75 0.00 0.00 64.21 61.78 2yua n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yua s GLY 7 N -2.67 1.49 -0.05 0.46 0.00 -1.26 -4.95 107.32 100.33 2yua s GLY 7 Ca 0.41 -2.53 0.05 0.00 0.00 0.00 0.00 44.72 42.65 2yua s GLY 7 CO 0.51 2.58 -0.19 -0.56 0.00 0.00 0.00 173.10 175.44 2yua s SER 8 N 4.53 2.41 -1.09 1.64 0.01 -1.26 -5.08 113.70 114.87 2yua s SER 8 Ca 0.46 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 2yua s SER 8 Cb 0.00 -0.71 0.25 0.00 0.21 0.00 0.00 66.02 65.77 2yua s SER 8 CO -0.05 0.17 1.13 -1.58 0.41 0.00 0.00 173.24 173.32 2yua s GLN 9 N 0.03 4.09 0.83 12.44 2.00 -1.26 -5.01 119.66 132.78 2yua s GLN 9 Ca -0.05 -2.97 0.00 0.00 -2.00 0.00 0.00 55.36 50.34 2yua s GLN 9 Cb -0.13 -4.65 0.00 0.00 0.80 0.00 0.00 33.01 29.04 2yua s GLN 9 CO 0.03 -1.36 0.00 0.41 -0.50 0.00 0.00 175.29 173.87 2yua n GLY 10 N 3.20 0.87 3.31 2.59 0.00 -1.26 -3.96 105.19 109.95 2yua n GLY 10 Ca 0.25 -0.61 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 2yua n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yua s ASP 11 N -4.00 6.29 0.97 1.61 -1.08 -1.26 -5.06 116.67 114.14 2yua s ASP 11 Ca 0.00 -1.95 -0.14 0.00 -0.52 0.00 0.00 52.55 49.94 2yua s ASP 11 Cb 0.00 -2.21 -0.01 0.00 -1.46 0.00 0.00 42.92 39.24 2yua s ASP 11 CO 0.00 -0.81 0.06 0.00 0.52 0.00 0.00 175.17 174.94 2yua n SER 13 N -0.07 1.52 -4.73 0.00 7.64 -1.26 -4.97 113.62 111.75 2yua n SER 13 Ca 0.04 0.47 -0.33 0.00 1.01 0.00 0.00 58.87 60.07 2yua n SER 13 Cb 0.55 -0.77 0.09 0.00 -1.01 0.00 0.00 64.21 63.07 2yua n SER 13 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2yua s TYR 14 N -2.20 2.20 0.00 1.43 1.51 -1.26 -4.96 117.35 114.06 2yua s TYR 14 Ca -0.16 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 57.52 2yua s TYR 14 Cb 0.02 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 2yua s TYR 14 CO 0.24 -2.29 0.50 0.43 -1.11 0.00 0.00 175.55 173.32 2yua n SER 15 N -3.01 0.44 -0.27 2.29 7.64 -1.26 -4.88 113.62 114.57 2yua n SER 15 Ca 0.12 -1.19 0.02 0.00 1.01 0.00 0.00 58.87 58.83 2yua n SER 15 Cb 0.51 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.09 -0.11 -2.24 1.43 3.00 -1.26 0.29 116.66 117.67 2yua n ARG 16 Ca 0.00 1.12 -0.28 0.00 -0.00 0.00 0.00 57.85 58.68 2yua n ARG 16 Cb 0.38 -1.66 0.01 0.00 0.00 0.00 0.00 32.46 31.19 2yua n ARG 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yua n THR 17 N -5.12 2.62 -0.02 5.15 -2.24 -1.26 -4.80 114.28 108.61 2yua n THR 17 Ca 0.10 -4.58 -0.01 0.00 -2.27 0.00 0.00 64.05 57.29 2yua n THR 17 Cb 0.33 -1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 2.50 0.00 -0.61 6.98 0.00 -0.50 -3.16 119.26 124.46 2yua h ALA 18 Ca 0.37 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 55.19 2yua h ALA 18 Cb 0.96 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2yua h ALA 18 CO 0.94 0.12 1.00 -0.07 0.00 0.00 0.00 179.25 181.23 2yua h LEU 19 N -0.30 0.00 0.13 0.00 3.38 -1.87 1.75 115.31 118.40 2yua h LEU 19 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2yua h LEU 19 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2yua h LEU 19 CO 0.00 0.00 -1.57 1.88 0.09 0.00 0.00 178.44 178.84 2yua h TYR 20 N 0.00 0.49 0.06 1.13 -1.99 -1.84 -3.34 116.97 111.47 2yua h TYR 20 Ca 0.29 -0.35 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 2yua h TYR 20 Cb 2.28 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.99 2yua h TYR 20 CO 0.00 1.42 -0.03 0.22 -0.00 0.00 0.00 178.16 179.77 2yua h ASP 21 N 0.07 -0.06 -0.86 3.88 1.82 0.27 0.45 116.42 121.98 2yua h ASP 21 Ca -0.26 -0.38 0.14 0.00 -0.39 0.00 0.00 57.03 56.14 2yua h ASP 21 Cb 2.03 0.02 -0.15 0.00 0.68 0.00 0.00 39.33 41.91 2yua h ASP 21 CO 0.16 0.36 -0.34 -0.07 -1.61 0.00 0.00 179.24 177.74 2yua h LEU 22 N -0.50 -1.24 0.05 2.28 4.07 -1.44 -1.90 115.31 116.63 2yua h LEU 22 Ca -0.01 0.28 -0.09 0.00 0.08 0.00 0.00 57.88 58.14 2yua h LEU 22 Cb 0.44 0.67 0.01 0.00 1.08 0.00 0.00 40.66 42.86 2yua h LEU 22 CO 0.01 -0.29 -0.40 -0.07 -1.08 0.00 0.00 178.44 176.61 2yua h LEU 23 N -0.05 0.26 0.00 1.67 4.07 -1.68 -3.49 115.31 116.09 2yua h LEU 23 Ca 0.33 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 57.37 2yua h LEU 23 Cb 0.59 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2yua h LEU 23 CO -0.89 1.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.23 2yua n GLY 24 N 1.46 1.72 3.77 0.83 0.00 0.15 -4.94 105.19 108.18 2yua n GLY 24 Ca -0.11 0.00 -0.29 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 4.44 1.06 1.61 -7.23 -0.59 -5.00 120.40 112.69 2yua s VAL 25 Ca 0.00 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 2yua s VAL 25 Cb 0.00 -3.19 0.22 0.00 0.56 0.00 0.00 36.38 33.97 2yua s VAL 25 CO 0.00 0.04 1.10 -2.16 -0.31 0.00 0.00 175.10 173.76 2yua s PRO 26 N -2.65 -0.03 0.57 4.82 0.04 -1.26 -4.59 135.00 131.90 2yua s PRO 26 Ca 0.29 0.36 0.35 0.00 0.04 0.00 0.00 61.00 62.05 2yua s PRO 26 Cb -0.11 -1.70 1.60 0.00 0.04 0.00 0.00 34.50 34.33 2yua s PRO 26 CO 0.22 -3.01 2.07 1.03 0.04 0.00 0.00 177.00 177.36 2yua h SER 27 N -2.09 0.00 -0.05 6.66 0.87 -2.00 -2.70 113.55 114.25 2yua h SER 27 Ca -0.53 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 59.98 2yua h SER 27 Cb 1.33 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 2yua h SER 27 CO 0.53 0.03 -0.55 1.07 -0.53 0.00 0.00 176.83 177.38 2yua n THR 28 N -3.17 2.13 -0.48 2.23 5.66 -1.26 -5.07 114.28 114.32 2yua n THR 28 Ca -0.01 -3.22 -0.26 0.00 -3.05 0.00 0.00 64.05 57.52 2yua n THR 28 Cb 0.25 -0.24 0.20 0.00 -1.55 0.00 0.00 70.33 68.99 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 -1.02 -2.95 -2.45 1.79 0.00 -1.02 -5.02 120.51 109.84 2yua n ALA 29 Ca 0.20 -1.35 -0.30 0.00 0.00 0.00 0.00 53.44 51.99 2yua n ALA 29 Cb 0.73 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.16 2.75 0.32 0.00 -1.32 -1.26 -4.97 115.64 109.00 2yua s THR 30 Ca 0.52 -1.28 0.12 0.00 -1.21 0.00 0.00 61.69 59.84 2yua s THR 30 Cb -0.11 -2.17 0.35 0.00 -1.51 0.00 0.00 72.50 69.06 2yua s THR 30 CO 0.51 0.28 1.45 0.00 -2.21 0.00 0.00 174.62 174.66 2yua n GLN 31 N 1.39 -0.06 -0.27 7.08 0.00 -1.26 0.16 117.38 124.42 2yua n GLN 31 Ca -0.16 1.32 0.04 0.00 0.00 0.00 0.00 57.00 58.20 2yua n GLN 31 Cb 0.52 -2.25 0.18 0.00 0.00 0.00 0.00 30.24 28.69 2yua n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yua h ALA 32 N 1.85 1.12 0.07 2.61 0.00 -2.00 -1.84 119.26 121.07 2yua h ALA 32 Ca 0.69 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.67 2yua h ALA 32 Cb 1.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2yua h ALA 32 CO -0.78 -0.08 -0.03 1.96 0.00 0.00 0.00 179.25 180.32 2yua h GLN 33 N 0.60 -0.09 -1.24 0.00 4.20 0.12 -2.37 115.11 116.34 2yua h GLN 33 Ca 0.41 0.01 0.39 0.00 0.06 0.00 0.00 58.65 59.51 2yua h GLN 33 Cb 0.52 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 2yua h GLN 33 CO -0.33 -0.06 0.86 -0.89 -0.67 0.00 0.00 178.83 177.74 2yua n ILE 34 N -2.92 -0.09 -0.03 2.54 5.41 -0.69 -0.14 119.36 123.44 2yua n ILE 34 Ca -0.01 1.19 -0.00 0.00 1.00 0.00 0.00 62.75 64.93 2yua n ILE 34 Cb 0.04 -1.97 -0.00 0.00 -0.71 0.00 0.00 39.64 36.99 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 0.00 -1.17 0.38 3.64 -1.40 -3.03 116.57 114.98 2yua h LYS 35 Ca 0.67 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 60.38 2yua h LYS 35 Cb 2.44 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 34.20 2yua h LYS 35 CO -0.16 0.00 0.83 0.00 -2.27 0.00 0.00 179.45 177.84 2yua h ALA 36 N -1.32 2.96 -0.14 5.00 0.00 0.02 0.22 119.26 126.00 2yua h ALA 36 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2yua h ALA 36 Cb 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2yua h ALA 36 CO 0.00 -1.32 -0.23 0.00 0.00 0.00 0.00 179.25 177.70 2yua h ALA 37 N 1.45 0.22 -0.19 0.00 0.00 -0.71 -1.73 119.26 118.30 2yua h ALA 37 Ca 0.58 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2yua h ALA 37 Cb 2.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2yua h ALA 37 CO -0.07 0.18 -0.10 -0.92 0.00 0.00 0.00 179.25 178.34 2yua h TYR 38 N 0.02 0.31 0.34 0.00 3.20 -0.49 -2.89 116.97 117.47 2yua h TYR 38 Ca 0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2yua h TYR 38 Cb 0.80 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2yua h TYR 38 CO 0.10 0.40 -0.16 1.88 -1.64 0.00 0.00 178.16 178.74 2yua h TYR 39 N 0.29 -0.43 -1.33 -3.82 0.05 -1.19 -3.25 116.97 107.30 2yua h TYR 39 Ca 0.06 -0.01 0.44 0.00 0.05 0.00 0.00 58.73 59.27 2yua h TYR 39 Cb 0.36 0.14 -0.13 0.00 1.01 0.00 0.00 36.73 38.12 2yua h TYR 39 CO 0.01 -0.27 0.86 0.07 -1.05 0.00 0.00 178.16 177.78 2yua h ARG 40 N -1.04 0.08 0.24 4.88 0.11 -1.32 0.36 114.38 117.69 2yua h ARG 40 Ca -0.05 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2yua h ARG 40 Cb 0.35 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2yua h ARG 40 CO 0.08 0.05 -0.16 1.96 0.10 0.00 0.00 179.97 182.00 2yua h GLN 41 N 0.08 -0.38 -0.81 0.08 1.08 -1.54 -2.66 115.11 110.96 2yua h GLN 41 Ca 0.82 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 58.23 2yua h GLN 41 Cb 2.60 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 29.97 2yua h GLN 41 CO -0.42 -0.25 -0.11 0.00 -0.95 0.00 0.00 178.83 177.10 2yua h PHE 43 N 0.03 -0.44 -0.58 0.00 3.04 -1.45 -2.54 116.94 115.00 2yua h PHE 43 Ca 0.42 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.49 2yua h PHE 43 Cb 0.71 0.18 -0.11 0.00 2.56 0.00 0.00 35.95 39.29 2yua h PHE 43 CO -0.56 -0.25 -0.20 -0.07 -2.02 0.00 0.00 178.31 175.22 2yua h LEU 44 N -0.32 -0.71 -7.30 0.59 3.38 -0.62 -3.27 115.31 107.06 2yua h LEU 44 Ca 0.03 0.19 -0.63 0.00 0.09 0.00 0.00 57.88 57.56 2yua h LEU 44 Cb 0.34 0.42 -0.41 0.00 0.09 0.00 0.00 40.66 41.11 2yua h LEU 44 CO -0.11 -0.23 -0.65 -0.31 0.09 0.00 0.00 178.44 177.23 2yua s TYR 45 N -6.17 2.95 0.32 1.13 2.02 -0.76 -5.07 117.35 111.77 2yua s TYR 45 Ca -0.14 -3.04 -0.29 0.00 -0.37 0.00 0.00 57.07 53.23 2yua s TYR 45 Cb 0.18 -2.64 -0.10 0.00 -0.40 0.00 0.00 41.96 39.00 2yua s TYR 45 CO 0.72 -0.74 1.21 -1.58 -1.57 0.00 0.00 175.55 173.58 2yua s HIS 46 N -0.19 3.27 -1.66 2.71 2.46 -0.99 -4.69 115.29 116.20 2yua s HIS 46 Ca 0.17 1.55 0.15 0.00 0.47 0.00 0.00 55.06 57.40 2yua s HIS 46 Cb -0.25 -3.49 0.82 0.00 -0.13 0.00 0.00 32.58 29.53 2yua s HIS 46 CO -0.00 -1.27 1.38 -0.35 -2.47 0.00 0.00 174.74 172.03 2yua n PRO 47 N 0.90 0.32 -0.07 2.88 -0.04 -1.26 -2.30 135.00 135.42 2yua n PRO 47 Ca -0.00 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 2yua n PRO 47 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 2yua n PRO 47 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2yua n ASP 48 N -1.17 1.27 0.07 3.54 2.03 -1.26 -4.59 116.55 116.44 2yua n ASP 48 Ca 0.09 0.14 -0.12 0.00 0.52 0.00 0.00 54.79 55.42 2yua n ASP 48 Cb 0.09 -0.39 -0.07 0.00 -0.72 0.00 0.00 41.12 40.03 2yua n ASP 48 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2yua h ARG 49 N -0.44 -0.09 -1.94 -0.67 3.08 -1.95 -2.76 114.38 109.60 2yua h ARG 49 Ca -0.35 0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.43 2yua h ARG 49 Cb 1.34 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.31 2yua h ARG 49 CO -0.20 -0.06 0.00 0.09 -1.07 0.00 0.00 179.97 178.74 2yua n ASN 50 N -5.14 5.78 -4.58 7.04 3.02 -0.97 -4.89 115.26 115.52 2yua n ASN 50 Ca -0.07 -2.76 -0.42 0.00 -0.03 0.00 0.00 54.58 51.29 2yua n ASN 50 Cb 0.07 -1.28 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 2yua n ASN 50 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2yua s SER 51 N 1.27 6.48 0.00 6.41 1.04 -1.04 -3.70 113.70 124.16 2yua s SER 51 Ca 0.50 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2yua s SER 51 Cb 0.28 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2yua s SER 51 CO -0.07 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.38 2yua n GLY 52 N 5.02 3.22 3.53 7.32 0.00 -1.26 -5.05 105.19 117.96 2yua n GLY 52 Ca 0.08 -1.01 -0.50 0.00 0.00 0.00 0.00 46.02 44.59 2yua n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 53 N 0.35 2.51 0.33 1.61 7.64 -1.24 -4.86 113.62 119.96 2yua n SER 53 Ca 0.00 0.56 -0.17 0.00 1.01 0.00 0.00 58.87 60.27 2yua n SER 53 Cb 0.00 -1.30 -0.09 0.00 -1.01 0.00 0.00 64.21 61.82 2yua n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yua h ALA 54 N 11.52 -0.82 -0.97 -0.43 0.00 -1.97 -1.98 119.26 124.61 2yua h ALA 54 Ca -0.34 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.54 2yua h ALA 54 Cb 1.30 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 19.28 2yua h ALA 54 CO 0.99 -0.96 -0.40 0.39 0.00 0.00 0.00 179.25 179.27 2yua n GLU 55 N -5.45 -0.24 -0.02 0.00 1.02 -1.26 -0.04 120.64 114.65 2yua n GLU 55 Ca -0.13 1.50 -0.10 0.00 -0.02 0.00 0.00 57.16 58.41 2yua n GLU 55 Cb 0.34 -2.22 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 2yua n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yua h ALA 56 N 1.27 0.19 -0.35 0.62 0.00 -1.90 -2.42 119.26 116.67 2yua h ALA 56 Ca 0.32 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2yua h ALA 56 Cb 0.57 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2yua h ALA 56 CO -0.96 -0.34 -0.38 0.00 0.00 0.00 0.00 179.25 177.57 2yua h ALA 57 N 1.07 -0.57 0.16 0.00 0.00 0.34 0.19 119.26 120.44 2yua h ALA 57 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2yua h ALA 57 Cb -0.01 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2yua h ALA 57 CO -0.02 -0.77 -0.38 0.93 0.00 0.00 0.00 179.25 179.00 2yua h GLU 58 N -0.21 -0.58 -0.93 0.00 4.39 -1.29 -2.24 114.58 113.71 2yua h GLU 58 Ca 0.06 0.04 0.21 0.00 0.34 0.00 0.00 59.36 60.01 2yua h GLU 58 Cb 0.37 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 28.98 2yua h GLU 58 CO -0.45 -0.39 -0.14 -0.09 -1.16 0.00 0.00 179.01 176.79 2yua h ARG 59 N -0.60 0.01 -0.48 2.33 2.43 -1.08 0.37 114.38 117.36 2yua h ARG 59 Ca -0.02 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2yua h ARG 59 Cb 0.58 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 2yua h ARG 59 CO -0.17 0.01 -0.10 0.35 -1.51 0.00 0.00 179.97 178.56 2yua h PHE 60 N 0.01 -0.21 -0.44 2.20 3.57 -0.06 0.76 116.94 122.78 2yua h PHE 60 Ca 0.49 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.08 2yua h PHE 60 Cb 0.84 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 2yua h PHE 60 CO -0.63 -0.19 0.17 1.15 -2.23 0.00 0.00 178.31 176.58 2yua h THR 61 N 0.02 0.89 -0.05 4.41 2.02 0.11 -1.94 112.91 118.38 2yua h THR 61 Ca 0.24 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 2yua h THR 61 Cb 0.36 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2yua h THR 61 CO -0.48 0.06 0.03 0.03 0.37 0.00 0.00 175.52 175.53 2yua h ARG 62 N 0.35 0.07 -0.51 6.66 3.08 -0.63 -2.83 114.38 120.56 2yua h ARG 62 Ca 0.20 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.35 2yua h ARG 62 Cb 0.17 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.12 2yua h ARG 62 CO -0.19 0.09 -0.05 0.82 -1.07 0.00 0.00 179.97 179.57 2yua h ILE 63 N 0.03 0.55 -0.18 2.04 2.04 -0.53 -1.99 117.51 119.47 2yua h ILE 63 Ca 0.02 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2yua h ILE 63 Cb 0.04 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 2yua h ILE 63 CO -0.00 0.01 -0.26 0.28 0.00 0.00 0.00 178.15 178.18 2yua h SER 64 N 0.07 -0.82 -0.93 1.72 0.02 -1.17 -2.21 113.55 110.24 2yua h SER 64 Ca 0.26 0.13 0.15 0.00 -0.84 0.00 0.00 61.79 61.50 2yua h SER 64 Cb 0.39 0.37 -0.16 0.00 0.14 0.00 0.00 62.40 63.15 2yua h SER 64 CO -0.47 -0.30 -0.35 1.56 -1.14 0.00 0.00 176.83 176.13 2yua h GLN 65 N -0.31 -0.02 -1.18 3.45 4.20 -1.13 0.87 115.11 121.00 2yua h GLN 65 Ca 0.11 0.00 0.37 0.00 0.06 0.00 0.00 58.65 59.20 2yua h GLN 65 Cb 0.48 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.14 2yua h GLN 65 CO -0.35 -0.02 0.74 0.00 -0.67 0.00 0.00 178.83 178.53 2yua h ALA 66 N 1.44 2.45 -0.44 3.87 0.00 -1.27 1.43 119.26 126.74 2yua h ALA 66 Ca 0.35 0.12 -0.22 0.00 0.00 0.00 0.00 54.91 55.17 2yua h ALA 66 Cb 0.61 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 2yua h ALA 66 CO -0.94 -1.03 0.27 0.98 0.00 0.00 0.00 179.25 178.53 2yua n TYR 67 N -4.77 1.35 0.04 0.00 9.36 0.30 -3.44 117.16 120.00 2yua n TYR 67 Ca 0.33 -1.05 0.00 0.00 3.32 0.00 0.00 57.90 60.51 2yua n TYR 67 Cb 1.21 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 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 -0.20 0.43 -0.06 2.97 0.31 0.49 -4.29 118.33 117.99 2yua n VAL 68 Ca 0.26 0.14 -0.15 0.00 -0.01 0.00 0.00 64.34 64.58 2yua n VAL 68 Cb 1.00 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.61 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 1.28 0.00 2.52 2.07 -1.67 -3.27 116.25 117.18 2yua h VAL 69 Ca 0.00 -1.81 -0.22 0.00 0.82 0.00 0.00 66.70 65.50 2yua h VAL 69 Cb 0.40 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2yua h VAL 69 CO 0.00 0.58 -1.50 -0.07 0.02 0.00 0.00 177.57 176.61 2yua h LEU 70 N 0.62 0.00 -1.00 2.57 3.38 -1.82 -2.64 115.31 116.42 2yua h LEU 70 Ca -0.00 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.36 2yua h LEU 70 Cb 1.22 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 2yua h LEU 70 CO 0.13 0.76 0.47 1.23 0.09 0.00 0.00 178.44 181.13 2yua h GLY 71 N 3.60 2.14 -5.89 0.83 0.00 -1.71 -3.37 103.07 98.67 2yua h GLY 71 Ca -0.20 -0.11 -0.61 0.00 0.00 0.00 0.00 47.33 46.40 2yua h GLY 71 CO 0.06 -0.76 -0.41 -0.45 0.00 0.00 0.00 176.54 174.99 2yua s SER 72 N -4.60 6.38 0.22 0.19 0.15 -1.26 -4.99 113.70 109.79 2yua s SER 72 Ca -0.10 0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 2yua s SER 72 Cb 0.33 -2.13 0.33 0.00 -1.71 0.00 0.00 66.02 62.84 2yua s SER 72 CO 0.78 0.22 1.77 0.00 1.20 0.00 0.00 173.24 177.21 2yua h ALA 73 N 6.12 0.96 0.43 5.45 0.00 -1.91 -2.57 119.26 127.75 2yua h ALA 73 Ca -0.45 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2yua h ALA 73 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2yua h ALA 73 CO 0.71 -0.07 -0.21 1.15 0.00 0.00 0.00 179.25 180.83 2yua h THR 74 N 0.58 0.40 -0.88 0.00 2.02 -1.93 -3.15 112.91 109.95 2yua h THR 74 Ca 0.35 -0.55 0.17 0.00 0.77 0.00 0.00 66.41 67.15 2yua h THR 74 Cb 0.38 0.59 -0.16 0.00 -1.74 0.00 0.00 68.15 67.22 2yua h THR 74 CO -0.28 0.07 -0.24 0.18 0.37 0.00 0.00 175.52 175.62 2yua n LEU 75 N -5.20 -0.36 -0.24 2.58 4.77 -1.11 0.16 117.00 117.59 2yua n LEU 75 Ca -0.10 1.52 0.01 0.00 -0.03 0.00 0.00 56.01 57.41 2yua n LEU 75 Cb 0.29 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 41.07 2yua n LEU 75 CO 0.28 -1.44 1.08 -0.09 -1.33 0.00 0.00 177.39 175.88 2yua h ARG 76 N 0.00 0.61 -0.18 3.23 2.43 -1.07 -2.26 114.38 117.14 2yua h ARG 76 Ca 0.40 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 2yua h ARG 76 Cb 0.62 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2yua h ARG 76 CO -0.90 0.40 -0.07 0.00 -1.51 0.00 0.00 179.97 177.90 2yua h ARG 77 N 0.63 -0.04 -0.52 0.20 2.47 0.15 -2.78 114.38 114.50 2yua h ARG 77 Ca 0.34 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.11 2yua h ARG 77 Cb 0.33 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.58 2yua h ARG 77 CO -0.25 -0.02 -0.43 0.87 0.56 0.00 0.00 179.97 180.69 2yua h LYS 78 N -0.04 -0.15 -1.03 0.04 1.57 -0.77 0.37 116.57 116.56 2yua h LYS 78 Ca 0.09 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.14 2yua h LYS 78 Cb 0.18 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.42 2yua h LYS 78 CO -0.20 -0.10 0.65 -0.92 -0.57 0.00 0.00 179.45 178.30 2yua h TYR 79 N -0.16 0.78 -0.46 -1.35 3.20 -1.46 0.20 116.97 117.73 2yua h TYR 79 Ca 0.09 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.08 2yua h TYR 79 Cb 0.38 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.34 2yua h TYR 79 CO -0.85 0.06 -0.12 0.22 -1.64 0.00 0.00 178.16 175.84 2yua h ASP 80 N 0.46 -0.44 -0.29 -2.11 3.58 0.02 0.98 116.42 118.61 2yua h ASP 80 Ca 0.61 0.14 0.00 0.00 0.42 0.00 0.00 57.03 58.20 2yua h ASP 80 Cb 1.42 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.76 2yua h ASP 80 CO -0.36 -0.16 0.00 0.54 -2.88 0.00 0.00 179.24 176.39 2yua n ARG 81 N -5.34 2.01 -2.44 0.28 5.12 -0.03 -4.92 116.66 111.34 2yua n ARG 81 Ca 0.04 -1.53 -0.08 0.00 -1.93 0.00 0.00 57.85 54.35 2yua n ARG 81 Cb 0.25 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.14 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 0.18 0.09 -0.13 0.00 0.34 -4.93 105.19 101.98 2yua n GLY 82 Ca 0.17 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.53 0.77 -4.65 0.99 4.77 0.50 -4.84 117.00 113.01 2yua n LEU 83 Ca -0.06 0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 2yua n LEU 83 Cb 0.55 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2yua n LEU 83 CO 0.16 -0.12 1.12 -0.22 -1.33 0.00 0.00 177.39 177.00 2yua s LEU 84 N -4.81 4.08 0.44 2.23 2.96 -1.25 -4.89 118.68 117.44 2yua s LEU 84 Ca 0.02 1.56 0.03 0.00 -0.22 0.00 0.00 54.13 55.52 2yua s LEU 84 Cb 0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 2yua s LEU 84 CO 0.77 -0.88 0.06 -0.44 -1.32 0.00 0.00 176.35 174.54 2yua s SER 85 N 2.35 3.35 0.19 3.68 0.01 -1.26 -4.90 113.70 117.11 2yua s SER 85 Ca 0.56 -1.60 -0.21 0.00 1.31 0.00 0.00 55.95 56.01 2yua s SER 85 Cb -0.21 0.34 0.13 0.00 0.21 0.00 0.00 66.02 66.49 2yua s SER 85 CO 0.18 -0.81 1.57 -2.24 0.41 0.00 0.00 173.24 172.35 2yua h ASP 86 N 1.67 -1.30 -0.89 2.44 2.03 -1.99 0.26 116.42 118.65 2yua h ASP 86 Ca -0.40 0.25 0.37 0.00 -0.73 0.00 0.00 57.03 56.51 2yua h ASP 86 Cb 1.28 0.64 -0.16 0.00 -0.83 0.00 0.00 39.33 40.26 2yua h ASP 86 CO 0.67 -0.31 0.46 -0.62 -1.03 0.00 0.00 179.24 178.41 2yua n GLU 87 N -5.43 -0.05 -0.03 4.15 1.02 -1.26 0.98 120.64 120.02 2yua n GLU 87 Ca 0.05 1.23 -0.15 0.00 -0.02 0.00 0.00 57.16 58.27 2yua n GLU 87 Cb 0.36 -2.20 -0.11 0.00 -0.02 0.00 0.00 31.44 29.47 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 0.25 -0.12 1.62 5.19 -0.83 0.16 116.42 122.68 2yua h ASP 88 Ca 0.74 -0.74 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2yua h ASP 88 Cb 1.95 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 41.35 2yua h ASP 88 CO -0.69 0.95 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.21 2yua h LEU 89 N -0.44 -0.32 -0.01 1.55 3.38 0.12 -3.08 115.31 116.51 2yua h LEU 89 Ca -0.03 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2yua h LEU 89 Cb 0.98 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2yua h LEU 89 CO 0.05 -0.14 -0.07 0.08 0.09 0.00 0.00 178.44 178.46 2yua h ARG 90 N -0.12 0.07 0.00 1.13 0.11 -0.73 -3.50 114.38 111.34 2yua h ARG 90 Ca 0.08 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2yua h ARG 90 Cb 0.23 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2yua h ARG 90 CO -0.19 0.71 0.00 0.41 0.10 0.00 0.00 179.97 181.00 2yua n GLY 91 N 0.69 3.35 3.63 0.08 0.00 0.55 -5.07 105.19 108.43 2yua n GLY 91 Ca -0.09 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2yua n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 92 N -4.20 -0.47 -1.34 1.61 0.04 -1.24 -4.16 135.00 125.24 2yua s PRO 92 Ca 0.00 0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.08 2yua s PRO 92 Cb 0.00 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.90 2yua s PRO 92 CO 0.00 -3.27 0.45 0.41 0.04 0.00 0.00 177.00 174.63 2yua n GLY 93 N -0.99 -0.54 3.53 0.56 0.00 -1.26 -4.65 105.19 101.84 2yua n GLY 93 Ca 0.09 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 2yua n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yua n SER 94 N -2.57 1.13 0.00 1.61 2.88 -1.26 -4.54 113.62 110.86 2yua n SER 94 Ca -0.21 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 2yua n SER 94 Cb 0.63 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2yua n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yua n GLY 95 N 6.25 0.95 3.71 0.46 0.00 -1.26 -4.98 105.19 110.31 2yua n GLY 95 Ca 0.51 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.43 4.32 -0.10 1.61 0.04 -1.26 -4.96 135.00 133.22 2yua s PRO 96 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2yua s PRO 96 Cb 0.00 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2yua s PRO 96 CO 0.00 -0.44 1.47 -1.54 0.04 0.00 0.00 177.00 176.53 2yua s SER 97 N 1.23 6.80 0.94 6.66 1.04 -1.26 -5.01 113.70 124.10 2yua s SER 97 Ca 0.64 1.99 -0.13 0.00 0.48 0.00 0.00 55.95 58.93 2yua s SER 97 Cb -0.35 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.38 2yua s SER 97 CO 0.30 -0.84 1.16 -0.55 0.98 0.00 0.00 173.24 174.28 2yua s SER 98 N 2.67 3.29 0.00 7.02 0.15 -1.26 -5.27 113.70 120.30 2yua s SER 98 Ca 0.65 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2yua s SER 98 Cb -0.28 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2yua s SER 98 CO 0.23 -2.68 0.00 0.61 1.20 0.00 0.00 173.24 172.60