#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts n LEU 2 N 0.00 0.00 -0.72 4.03 4.77 -1.26 -4.80 117.00 119.02 1zts n LEU 2 Ca 0.00 1.55 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 1zts n LEU 2 Cb 0.00 -4.36 0.00 0.00 -2.33 0.00 0.00 43.42 36.73 1zts n LEU 2 CO 0.00 -2.87 0.22 0.18 -1.33 0.00 0.00 177.39 173.59 1zts n LEU 3 N 0.00 0.14 -5.02 2.23 4.32 -1.26 -5.11 117.00 112.29 1zts n LEU 3 Ca 0.01 -1.25 -0.19 0.00 -0.02 0.00 0.00 56.01 54.57 1zts n LEU 3 Cb 0.66 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.50 1zts n LEU 3 CO 0.01 0.49 0.29 0.27 -1.22 0.00 0.00 177.39 177.23 1zts s ILE 4 N 0.00 2.44 0.01 -0.08 -4.36 -1.26 -5.13 121.20 112.82 1zts s ILE 4 Ca 0.06 -0.98 0.06 0.00 -0.26 0.00 0.00 60.65 59.53 1zts s ILE 4 Cb 0.07 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 1zts s ILE 4 CO -0.03 0.00 -0.17 0.28 0.24 0.00 0.00 174.94 175.25 1zts s THR 5 N -2.58 2.82 -1.01 8.37 -1.32 -1.26 -5.01 115.64 115.66 1zts s THR 5 Ca 0.60 -1.06 0.14 0.00 -1.21 0.00 0.00 61.69 60.16 1zts s THR 5 Cb -0.07 -2.15 0.12 0.00 -1.51 0.00 0.00 72.50 68.88 1zts s THR 5 CO 0.37 0.42 1.45 -0.81 -2.21 0.00 0.00 174.62 173.84 1zts n PRO 6 N 1.80 0.00 0.07 7.08 -0.04 -1.26 -2.44 135.00 140.21 1zts n PRO 6 Ca -0.16 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1zts n PRO 6 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 1zts n PRO 6 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zts h ASP 7 N 0.00 0.00 0.37 3.54 -0.00 -1.97 -3.28 116.42 115.09 1zts h ASP 7 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.83 1zts h ASP 7 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.57 1zts h ASP 7 CO 0.00 0.96 -0.84 -0.33 -0.00 0.00 0.00 179.24 179.04 1zts h GLU 8 N 0.00 0.35 -0.44 0.28 4.39 -1.91 -2.85 114.58 114.40 1zts h GLU 8 Ca -0.01 -0.34 0.07 0.00 0.34 0.00 0.00 59.36 59.42 1zts h GLU 8 Cb 1.71 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 30.39 1zts h GLU 8 CO 0.13 1.01 0.11 1.25 -1.16 0.00 0.00 179.01 180.34 1zts h LEU 9 N 0.21 0.05 -0.51 1.33 5.85 -1.62 -0.81 115.31 119.81 1zts h LEU 9 Ca -0.05 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1zts h LEU 9 Cb 1.45 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1zts h LEU 9 CO 0.14 0.06 -0.46 0.07 -0.34 0.00 0.00 178.44 177.91 1zts h LYS 10 N 0.25 0.69 0.00 1.25 2.10 -1.65 0.26 116.57 119.46 1zts h LYS 10 Ca 0.21 -0.39 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 1zts h LYS 10 Cb 0.25 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1zts h LYS 10 CO -0.26 1.00 -0.05 1.03 -2.00 0.00 0.00 179.45 179.17 1zts h SER 11 N 0.55 0.00 0.00 7.07 0.87 -1.11 -2.41 113.55 118.51 1zts h SER 11 Ca 0.03 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.42 1zts h SER 11 Cb 1.01 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 1zts h SER 11 CO 0.10 0.05 -2.15 0.00 -0.53 0.00 0.00 176.83 174.30 1zts n TYR 12 N -3.94 0.00 -2.44 2.24 9.36 -0.38 -4.97 117.16 117.02 1zts n TYR 12 Ca -0.03 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.90 1zts n TYR 12 Cb 0.14 -0.72 -0.01 0.00 -0.63 0.00 0.00 39.34 38.12 1zts n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1zts s SER 13 N -4.91 6.36 -0.11 2.98 0.15 0.90 -5.01 113.70 114.05 1zts s SER 13 Ca -0.09 1.19 0.14 0.00 0.70 0.00 0.00 55.95 57.89 1zts s SER 13 Cb 0.10 -2.36 0.30 0.00 -1.71 0.00 0.00 66.02 62.35 1zts s SER 13 CO 0.84 -0.62 1.15 1.33 1.20 0.00 0.00 173.24 177.14 1zts n VAL 14 N -2.10 1.40 -4.62 4.45 0.24 -1.26 -4.83 118.33 111.60 1zts n VAL 14 Ca 0.03 -2.00 -0.33 0.00 -2.04 0.00 0.00 64.34 60.00 1zts n VAL 14 Cb 0.54 0.06 -0.13 0.00 -1.47 0.00 0.00 33.84 32.84 1zts n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1zts s PHE 15 N -2.09 2.90 -0.32 6.34 0.08 -1.26 -4.98 117.98 118.64 1zts s PHE 15 Ca 0.29 -0.44 0.26 0.00 0.12 0.00 0.00 56.93 57.15 1zts s PHE 15 Cb 0.27 -1.87 1.11 0.00 -0.57 0.00 0.00 43.02 41.96 1zts s PHE 15 CO -0.03 -0.09 1.77 1.49 -0.10 0.00 0.00 175.22 178.26 1zts h GLU 16 N 6.56 0.00 -0.29 0.44 4.81 -1.99 -2.88 114.58 121.24 1zts h GLU 16 Ca -0.30 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1zts h GLU 16 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1zts h GLU 16 CO 0.58 0.00 -0.03 0.77 -0.73 0.00 0.00 179.01 179.60 1zts h SER 17 N 0.00 0.53 0.74 1.04 0.02 -1.93 -0.98 113.55 112.96 1zts h SER 17 Ca 0.00 -0.34 -0.20 0.00 -0.84 0.00 0.00 61.79 60.41 1zts h SER 17 Cb 0.35 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1zts h SER 17 CO 0.00 0.74 -0.93 0.58 -1.14 0.00 0.00 176.83 176.08 1zts h VAL 18 N 0.31 1.57 -0.50 2.27 2.07 -1.76 -3.27 116.25 116.94 1zts h VAL 18 Ca 0.08 -2.88 -0.13 0.00 0.82 0.00 0.00 66.70 64.59 1zts h VAL 18 Cb 0.49 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1zts h VAL 18 CO 0.02 0.83 -0.19 0.11 0.02 0.00 0.00 177.57 178.36 1zts h LYS 19 N 0.05 1.00 0.00 1.57 6.56 -1.45 -2.53 116.57 121.77 1zts h LYS 19 Ca -0.04 -0.41 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1zts h LYS 19 Cb 1.59 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.21 1zts h LYS 19 CO 0.13 1.10 0.00 0.00 -2.06 0.00 0.00 179.45 178.62 1zts h THR 20 N 0.87 0.00 -3.36 -0.16 1.03 -1.22 -3.41 112.91 106.66 1zts h THR 20 Ca 0.12 -0.08 -0.57 0.00 -0.01 0.00 0.00 66.41 65.86 1zts h THR 20 Cb 0.77 0.73 -0.07 0.00 -1.07 0.00 0.00 68.15 68.51 1zts h THR 20 CO 0.06 0.00 0.15 -0.13 -0.01 0.00 0.00 175.52 175.59 1zts s ARG 21 N -3.61 4.34 0.00 0.00 0.52 -0.96 -5.06 118.95 114.18 1zts s ARG 21 Ca -0.01 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1zts s ARG 21 Cb 0.08 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1zts s ARG 21 CO 0.29 -0.10 0.00 -0.35 0.02 0.00 0.00 175.30 175.16 1zts n PRO 22 N 4.45 -0.96 0.16 3.54 -0.04 -1.26 -4.64 135.00 136.24 1zts n PRO 22 Ca -0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1zts n PRO 22 Cb 0.50 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.14 1zts n PRO 22 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zts h ASP 23 N -0.99 0.00 -0.15 3.54 3.45 -1.97 -1.56 116.42 118.74 1zts h ASP 23 Ca 0.00 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 1zts h ASP 23 Cb 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1zts h ASP 23 CO 0.00 0.47 -0.58 1.05 -1.57 0.00 0.00 179.24 178.61 1zts h GLU 24 N 0.00 0.65 0.02 3.56 4.11 -2.00 -2.73 114.58 118.19 1zts h GLU 24 Ca -0.00 -0.50 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 1zts h GLU 24 Cb 1.16 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1zts h GLU 24 CO 0.06 1.12 -0.01 -0.07 0.07 0.00 0.00 179.01 180.19 1zts h LEU 25 N 0.32 -0.02 -0.77 3.06 3.38 -1.91 -3.26 115.31 116.11 1zts h LEU 25 Ca -0.03 -0.73 0.16 0.00 0.09 0.00 0.00 57.88 57.37 1zts h LEU 25 Cb 1.21 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 1zts h LEU 25 CO 0.12 0.77 0.25 -0.07 0.09 0.00 0.00 178.44 179.60 1zts h LEU 26 N -0.86 0.15 -0.41 1.67 3.38 -1.41 -0.55 115.31 117.27 1zts h LEU 26 Ca -0.00 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1zts h LEU 26 Cb 0.75 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1zts h LEU 26 CO 0.00 0.01 -0.02 0.11 0.09 0.00 0.00 178.44 178.64 1zts h LYS 27 N 0.34 0.08 -0.71 1.13 1.57 -1.58 0.27 116.57 117.68 1zts h LYS 27 Ca 0.44 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.31 1zts h LYS 27 Cb 0.74 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.96 1zts h LYS 27 CO -0.48 0.06 0.36 1.96 -0.57 0.00 0.00 179.45 180.77 1zts h GLN 28 N 0.09 0.59 -0.36 3.15 4.20 -1.15 -0.66 115.11 120.97 1zts h GLN 28 Ca 0.20 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1zts h GLN 28 Cb 0.30 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1zts h GLN 28 CO -0.36 0.39 -0.26 0.22 -0.67 0.00 0.00 178.83 178.15 1zts h ASP 29 N 0.61 0.84 -0.74 1.46 1.82 -0.88 -2.71 116.42 116.81 1zts h ASP 29 Ca 0.35 -0.44 0.04 0.00 -0.39 0.00 0.00 57.03 56.59 1zts h ASP 29 Cb 0.37 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 1zts h ASP 29 CO -0.27 1.10 0.49 0.40 -1.61 0.00 0.00 179.24 179.36 1zts h ILE 30 N 0.59 1.10 0.00 2.25 2.04 0.30 -0.58 117.51 123.21 1zts h ILE 30 Ca 0.07 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1zts h ILE 30 Cb 0.83 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1zts h ILE 30 CO 0.07 0.16 -0.50 -0.07 0.00 0.00 0.00 178.15 177.81 1zts h LEU 31 N 0.89 0.00 -0.08 1.44 3.38 -1.04 -2.91 115.31 117.00 1zts h LEU 31 Ca 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1zts h LEU 31 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1zts h LEU 31 CO -0.09 0.50 -0.45 -0.08 0.09 0.00 0.00 178.44 178.42 1zts h GLU 32 N 0.00 0.00 -0.11 1.13 4.57 -0.86 -3.29 114.58 116.03 1zts h GLU 32 Ca -0.01 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 1zts h GLU 32 Cb 1.01 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1zts h GLU 32 CO 0.07 0.45 -0.59 0.00 -1.18 0.00 0.00 179.01 177.75 1zts h ALA 33 N 1.55 0.21 -0.08 2.92 0.00 -0.98 -3.10 119.26 119.79 1zts h ALA 33 Ca -0.00 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1zts h ALA 33 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1zts h ALA 33 CO 0.06 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.94 1zts h THR 34 N 0.21 0.21 0.00 0.00 1.03 -1.59 0.69 112.91 113.46 1zts h THR 34 Ca -0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.29 1zts h THR 34 Cb 1.23 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.15 1zts h THR 34 CO 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 175.52 175.32 1zts h ALA 35 N 1.73 1.37 0.05 0.00 0.00 -1.65 -1.79 119.26 118.98 1zts h ALA 35 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1zts h ALA 35 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zts h ALA 35 CO -0.00 0.39 -0.02 0.22 0.00 0.00 0.00 179.25 179.84 1zts h ASP 36 N 0.00 -0.06 0.15 0.00 -0.00 -1.00 -2.71 116.42 112.80 1zts h ASP 36 Ca -0.00 -0.58 0.01 0.00 -0.00 0.00 0.00 57.03 56.45 1zts h ASP 36 Cb 0.59 0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.92 1zts h ASP 36 CO 0.04 0.66 -0.20 0.40 -0.00 0.00 0.00 179.24 180.14 1zts h ILE 37 N -0.89 0.55 -0.62 2.25 2.04 -1.53 -2.02 117.51 117.30 1zts h ILE 37 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1zts h ILE 37 Cb 0.64 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1zts h ILE 37 CO 0.01 0.00 0.41 0.40 0.00 0.00 0.00 178.15 178.97 1zts h ILE 38 N -0.41 0.96 0.00 -0.67 2.04 -1.47 0.89 117.51 118.86 1zts h ILE 38 Ca 0.01 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1zts h ILE 38 Cb 0.41 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1zts h ILE 38 CO -0.08 0.10 -0.07 -0.07 0.00 0.00 0.00 178.15 178.02 1zts h LEU 39 N 0.54 0.00 0.07 1.44 3.38 -1.03 0.25 115.31 119.96 1zts h LEU 39 Ca 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 1zts h LEU 39 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1zts h LEU 39 CO -0.08 0.07 -0.65 0.11 0.09 0.00 0.00 178.44 177.98 1zts h LYS 40 N 0.00 0.14 0.00 1.13 1.57 -0.46 -3.33 116.57 115.63 1zts h LYS 40 Ca -0.00 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1zts h LYS 40 Cb 0.29 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1zts h LYS 40 CO 0.01 1.12 -0.29 -0.39 -0.57 0.00 0.00 179.45 179.32 1zts h VAL 41 N -0.67 0.64 -1.77 0.50 -1.51 -1.25 -3.47 116.25 108.71 1zts h VAL 41 Ca -0.14 -1.39 -0.10 0.00 -1.23 0.00 0.00 66.70 63.84 1zts h VAL 41 Cb 1.38 1.93 0.02 0.00 -2.13 0.00 0.00 31.29 32.49 1zts h VAL 41 CO 0.04 0.29 -0.16 0.61 -1.23 0.00 0.00 177.57 177.11 1zts n GLY 42 N 0.42 0.44 3.64 5.19 0.00 0.88 -2.66 105.19 113.09 1zts n GLY 42 Ca 0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1zts n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zts s HIS 43 N -2.82 -0.22 0.25 1.61 -3.43 -1.13 -3.98 115.29 105.57 1zts s HIS 43 Ca 0.10 0.53 0.07 0.00 -0.80 0.00 0.00 55.06 54.96 1zts s HIS 43 Cb -0.05 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 1zts s HIS 43 CO 0.13 -0.12 0.19 0.16 -2.00 0.00 0.00 174.74 173.09 1zts s ASP 44 N -0.07 5.47 -1.09 7.38 1.47 -1.26 -4.72 116.67 123.85 1zts s ASP 44 Ca 0.05 -0.27 -0.05 0.00 1.18 0.00 0.00 52.55 53.47 1zts s ASP 44 Cb -0.04 -1.37 0.30 0.00 -0.34 0.00 0.00 42.92 41.47 1zts s ASP 44 CO -0.10 -0.04 1.48 0.49 0.68 0.00 0.00 175.17 177.68 1zts n PHE 45 N -1.17 2.42 -0.01 2.11 3.72 -1.26 -4.78 117.46 118.49 1zts n PHE 45 Ca -0.08 -2.65 -0.09 0.00 -0.05 0.00 0.00 57.45 54.58 1zts n PHE 45 Cb 0.58 -1.31 -0.08 0.00 -0.94 0.00 0.00 39.48 37.74 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1zts h SER 46 N 5.51 -0.08 -1.58 4.37 0.87 -1.97 -3.45 113.55 117.22 1zts h SER 46 Ca 0.21 -0.48 -0.67 0.00 -1.23 0.00 0.00 61.79 59.62 1zts h SER 46 Cb 0.63 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1zts h SER 46 CO 1.33 0.60 1.17 0.47 -0.53 0.00 0.00 176.83 179.87 1zts n ASP 47 N -4.79 2.71 0.30 6.23 10.43 -1.26 -4.79 116.55 125.37 1zts n ASP 47 Ca -0.07 0.79 0.19 0.00 2.57 0.00 0.00 54.79 58.27 1zts n ASP 47 Cb 0.27 -1.28 1.01 0.00 1.84 0.00 0.00 41.12 42.96 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zts h ALA 48 N 9.92 1.35 -0.75 2.24 0.00 -2.02 -1.09 119.26 128.91 1zts h ALA 48 Ca -0.41 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.04 1zts h ALA 48 Cb 1.30 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 1zts h ALA 48 CO 0.98 -0.13 0.60 -0.85 0.00 0.00 0.00 179.25 179.84 1zts n GLU 49 N -3.35 2.14 -2.67 0.00 0.00 -1.26 -4.22 120.64 111.28 1zts n GLU 49 Ca -0.02 -2.39 -0.04 0.00 0.00 0.00 0.00 57.16 54.71 1zts n GLU 49 Cb 0.19 -1.94 0.02 0.00 0.00 0.00 0.00 31.44 29.72 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1zts n TYR 50 N -0.47 -0.82 -3.34 -1.84 9.36 -0.41 -5.06 117.16 114.58 1zts n TYR 50 Ca 0.46 -0.97 -0.26 0.00 3.32 0.00 0.00 57.90 60.45 1zts n TYR 50 Cb 0.91 1.27 -0.07 0.00 -0.63 0.00 0.00 39.34 40.81 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1zts n ILE 51 N -0.44 1.96 -2.23 2.97 5.41 -1.25 -4.78 119.36 120.99 1zts n ILE 51 Ca -0.21 -5.08 -0.41 0.00 1.00 0.00 0.00 62.75 58.05 1zts n ILE 51 Cb 0.69 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 1zts n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1zts s PRO 52 N -2.40 4.41 -0.52 0.38 0.04 -1.26 -5.00 135.00 130.65 1zts s PRO 52 Ca 0.40 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.55 1zts s PRO 52 Cb 0.17 -3.18 0.21 0.00 0.04 0.00 0.00 34.50 31.74 1zts s PRO 52 CO -0.04 -0.20 0.51 1.28 0.04 0.00 0.00 177.00 178.59 1zts n LEU 53 N 2.27 1.37 0.00 -3.56 4.32 -1.26 -5.01 117.00 115.13 1zts n LEU 53 Ca 0.05 -4.87 0.00 0.00 -0.02 0.00 0.00 56.01 51.16 1zts n LEU 53 Cb 0.43 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1zts n LEU 53 CO 0.58 1.94 0.00 -0.81 -1.22 0.00 0.00 177.39 177.87 1zts n PRO 54 N 1.82 -0.82 0.10 3.23 -0.04 -1.26 -4.73 135.00 133.30 1zts n PRO 54 Ca 0.25 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1zts n PRO 54 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 1zts n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1zts h GLU 55 N 0.00 0.00 -0.01 0.54 4.81 -1.99 -2.68 114.58 115.25 1zts h GLU 55 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1zts h GLU 55 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1zts h GLU 55 CO 0.00 0.75 -0.98 0.00 -0.73 0.00 0.00 179.01 178.04 1zts h THR 56 N 0.00 1.32 0.20 0.32 1.03 -1.93 -2.92 112.91 110.94 1zts h THR 56 Ca -0.01 -2.29 -0.01 0.00 -0.01 0.00 0.00 66.41 64.09 1zts h THR 56 Cb 1.56 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 71.00 1zts h THR 56 CO 0.10 0.70 -0.10 0.58 -0.01 0.00 0.00 175.52 176.79 1zts h VAL 57 N 0.35 0.68 -0.94 0.00 2.07 -1.79 -2.19 116.25 114.43 1zts h VAL 57 Ca -0.10 -1.03 0.22 0.00 0.82 0.00 0.00 66.70 66.61 1zts h VAL 57 Cb 1.62 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1zts h VAL 57 CO 0.19 0.18 0.62 0.03 0.02 0.00 0.00 177.57 178.60 1zts h ARG 58 N -0.91 0.36 -0.13 1.57 3.08 -1.61 0.33 114.38 117.07 1zts h ARG 58 Ca -0.03 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 1zts h ARG 58 Cb 0.50 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1zts h ARG 58 CO 0.05 0.24 -0.57 1.25 -1.07 0.00 0.00 179.97 179.86 1zts h LEU 59 N 0.38 0.72 -0.72 3.04 5.85 -1.54 -1.27 115.31 121.77 1zts h LEU 59 Ca 0.50 -0.63 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1zts h LEU 59 Cb 1.29 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1zts h LEU 59 CO -0.19 1.24 0.44 0.00 -0.34 0.00 0.00 178.44 179.58 1zts h ALA 60 N 0.51 0.96 -0.12 1.25 0.00 -0.30 -0.83 119.26 120.73 1zts h ALA 60 Ca -0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1zts h ALA 60 Cb 1.21 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1zts h ALA 60 CO 0.12 0.17 -0.78 1.25 0.00 0.00 0.00 179.25 180.01 1zts h LEU 61 N 0.83 0.89 -0.83 0.00 7.12 -1.33 -2.06 115.31 119.93 1zts h LEU 61 Ca 0.31 -0.65 0.06 0.00 0.13 0.00 0.00 57.88 57.72 1zts h LEU 61 Cb 0.10 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 39.91 1zts h LEU 61 CO -0.14 1.41 0.51 -0.07 -0.13 0.00 0.00 178.44 180.02 1zts h LEU 62 N 0.44 0.81 -0.10 2.25 3.38 -0.84 0.26 115.31 121.52 1zts h LEU 62 Ca -0.07 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1zts h LEU 62 Cb 1.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1zts h LEU 62 CO 0.16 0.53 -0.41 0.11 0.09 0.00 0.00 178.44 178.92 1zts h LYS 63 N 0.95 0.45 -0.82 1.13 1.57 -1.19 -3.17 116.57 115.49 1zts h LYS 63 Ca 0.36 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1zts h LYS 63 Cb 0.15 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1zts h LYS 63 CO -0.17 0.98 0.46 -0.07 -0.57 0.00 0.00 179.45 180.09 1zts h LEU 64 N 0.02 1.01 -0.85 2.94 3.38 -0.98 -2.37 115.31 118.45 1zts h LEU 64 Ca -0.02 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1zts h LEU 64 Cb 1.05 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1zts h LEU 64 CO 0.09 0.80 0.52 -1.28 0.09 0.00 0.00 178.44 178.66 1zts h SER 65 N 1.14 0.82 -0.45 -0.43 0.87 -0.50 -1.67 113.55 113.32 1zts h SER 65 Ca 0.29 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 1zts h SER 65 Cb 0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1zts h SER 65 CO -0.05 0.52 -0.11 -0.61 -0.53 0.00 0.00 176.83 176.05 1zts h GLN 66 N 0.95 0.93 0.62 2.24 -0.00 -1.41 0.36 115.11 118.80 1zts h GLN 66 Ca 0.37 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 1zts h GLN 66 Cb 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1zts h GLN 66 CO -0.18 0.99 -0.35 0.35 0.00 0.00 0.00 178.83 179.63 1zts h PHE 67 N 0.83 -0.93 -0.11 3.99 3.57 -0.92 0.24 116.94 123.61 1zts h PHE 67 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1zts h PHE 67 Cb 0.65 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1zts h PHE 67 CO 0.04 -0.55 0.02 1.88 -2.23 0.00 0.00 178.31 177.47 1zts h TYR 68 N -0.91 0.19 -0.38 0.41 0.05 -1.39 -2.55 116.97 112.40 1zts h TYR 68 Ca -0.08 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.75 1zts h TYR 68 Cb 0.73 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 1zts h TYR 68 CO -0.07 0.37 0.26 0.00 -1.05 0.00 0.00 178.16 177.67 1zts h ALA 69 N 0.79 2.13 -0.12 3.88 0.00 -0.89 0.93 119.26 125.98 1zts h ALA 69 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1zts h ALA 69 Cb 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1zts h ALA 69 CO 0.00 -0.21 -0.08 1.25 0.00 0.00 0.00 179.25 180.21 1zts h LEU 70 N 0.18 0.27 -3.17 0.00 5.85 -0.22 -3.07 115.31 115.14 1zts h LEU 70 Ca 0.17 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.29 1zts h LEU 70 Cb 0.46 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 1zts h LEU 70 CO -0.03 0.66 0.21 2.30 -0.34 0.00 0.00 178.44 181.24 1zts n ILE 71 N -4.66 2.33 -0.05 4.05 -5.35 -0.80 -3.40 119.36 111.48 1zts n ILE 71 Ca -0.06 -1.22 -0.03 0.00 -0.27 0.00 0.00 62.75 61.17 1zts n ILE 71 Cb 0.31 -0.45 -0.11 0.00 -1.74 0.00 0.00 39.64 37.65 1zts n ILE 71 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1zts n ASN 72 N -0.03 1.75 -0.00 7.28 4.13 0.25 -4.66 115.26 123.98 1zts n ASN 72 Ca 0.31 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.61 1zts n ASN 72 Cb 1.14 1.03 -0.06 0.00 -1.54 0.00 0.00 39.78 40.36 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zts n GLY 73 N 2.06 -0.32 3.63 7.41 0.00 -1.23 -5.02 105.19 111.73 1zts n GLY 73 Ca -0.17 -0.17 -0.49 0.00 0.00 0.00 0.00 46.02 45.19 1zts n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 74 N -1.74 2.44 -1.84 1.61 4.64 -1.22 -4.86 116.55 115.58 1zts n ASP 74 Ca -0.01 1.10 -0.10 0.00 -1.38 0.00 0.00 54.79 54.40 1zts n ASP 74 Cb 0.19 -1.32 0.22 0.00 -1.04 0.00 0.00 41.12 39.16 1zts n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1zts n GLU 75 N 3.10 2.84 -1.39 -0.67 1.02 -1.26 -4.04 120.64 120.23 1zts n GLU 75 Ca 0.18 -2.45 0.04 0.00 -0.02 0.00 0.00 57.16 54.91 1zts n GLU 75 Cb 0.24 -2.01 0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1zts n GLU 75 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1zts n SER 76 N -0.30 1.11 -4.11 1.62 7.64 -1.26 -5.08 113.62 113.24 1zts n SER 76 Ca 0.38 -2.27 -0.19 0.00 1.01 0.00 0.00 58.87 57.80 1zts n SER 76 Cb 1.28 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 64.01 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1zts s ILE 77 N -0.50 0.99 -0.56 0.44 1.01 -1.26 -4.23 121.20 117.10 1zts s ILE 77 Ca 0.34 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1zts s ILE 77 Cb 0.39 -0.89 0.14 0.00 0.01 0.00 0.00 42.46 42.10 1zts s ILE 77 CO -0.15 0.03 0.31 -0.63 0.00 0.00 0.00 174.94 174.50 1zts s ILE 78 N -0.74 2.75 0.00 2.92 1.01 -1.25 -4.92 121.20 120.97 1zts s ILE 78 Ca 0.01 -3.42 0.00 0.00 0.00 0.00 0.00 60.65 57.24 1zts s ILE 78 Cb -0.07 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1zts s ILE 78 CO 0.01 -0.84 0.00 2.29 0.00 0.00 0.00 174.94 176.40 1zts n LYS 79 N 2.99 -1.19 0.00 2.79 2.85 -1.26 -2.93 118.16 121.41 1zts n LYS 79 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 1zts n LYS 79 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1zts n GLY 80 N 1.69 -1.92 1.41 2.58 0.00 -1.26 -4.66 105.19 103.03 1zts n GLY 80 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1zts n GLY 80 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1zts n TYR 81 N 0.00 -1.41 -0.51 1.61 0.18 -1.26 -4.95 117.16 110.82 1zts n TYR 81 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1zts n TYR 81 Cb 0.00 0.35 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 1zts n TYR 81 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1zts n THR 82 N -2.20 0.24 -3.89 -3.48 5.66 -1.26 -5.06 114.28 104.28 1zts n THR 82 Ca 0.00 -0.36 -0.35 0.00 -3.05 0.00 0.00 64.05 60.29 1zts n THR 82 Cb 0.00 1.14 -0.05 0.00 -1.55 0.00 0.00 70.33 69.87 1zts n THR 82 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1zts s THR 83 N -0.24 5.47 0.00 1.09 -4.23 -1.26 -5.10 115.64 111.37 1zts s THR 83 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1zts s THR 83 Cb 0.00 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1zts s THR 83 CO 0.00 0.46 0.00 -0.62 -0.54 0.00 0.00 174.62 173.92 1zts n GLU 84 N 1.41 -1.51 -1.00 3.99 1.02 -1.26 -4.85 120.64 118.44 1zts n GLU 84 Ca -0.15 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.78 1zts n GLU 84 Cb 0.54 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.05 1zts n GLU 84 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1zts n LYS 85 N -1.70 2.07 0.28 3.49 4.01 -1.26 -4.51 118.16 120.54 1zts n LYS 85 Ca 0.00 -2.28 0.19 0.00 -0.51 0.00 0.00 58.31 55.71 1zts n LYS 85 Cb 0.00 -1.89 0.99 0.00 -0.51 0.00 0.00 35.03 33.62 1zts n LYS 85 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1zts h ILE 86 N 0.87 0.00 0.00 -0.18 2.04 -2.01 -3.45 117.51 114.78 1zts h ILE 86 Ca 0.45 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1zts h ILE 86 Cb 1.55 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1zts h ILE 86 CO 0.99 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.75 1zts n GLY 87 N -1.09 0.88 0.00 5.37 0.00 -1.26 -5.06 105.19 104.03 1zts n GLY 87 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1zts n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zts n ASP 88 N 0.94 -1.74 -4.56 1.61 8.00 -1.26 -4.74 116.55 114.79 1zts n ASP 88 Ca 0.00 -0.11 -0.27 0.00 0.71 0.00 0.00 54.79 55.12 1zts n ASP 88 Cb 0.08 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1zts n ASP 88 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1zts s TYR 89 N -0.98 1.35 0.00 1.24 1.51 -1.26 -4.76 117.35 114.46 1zts s TYR 89 Ca 0.00 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 1zts s TYR 89 Cb 0.00 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 38.13 1zts s TYR 89 CO 0.00 -2.00 0.00 -1.13 -1.11 0.00 0.00 175.55 171.31 1zts n SER 90 N 15.90 0.00 -3.02 2.29 3.41 -1.26 -4.91 113.62 126.03 1zts n SER 90 Ca 0.38 -0.95 -0.14 0.00 -0.26 0.00 0.00 58.87 57.90 1zts n SER 90 Cb 0.49 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.51 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1zts n TYR 91 N 0.00 -1.85 -2.07 7.33 4.01 -1.15 -4.68 117.16 118.75 1zts n TYR 91 Ca 0.00 0.78 -0.36 0.00 -0.16 0.00 0.00 57.90 58.15 1zts n TYR 91 Cb 0.00 -4.50 0.02 0.00 -0.31 0.00 0.00 39.34 34.56 1zts n TYR 91 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1zts s THR 92 N -3.30 2.72 0.51 -0.72 2.01 -1.25 -4.13 115.64 111.47 1zts s THR 92 Ca 0.04 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1zts s THR 92 Cb -0.01 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.33 1zts s THR 92 CO 0.61 -0.07 0.28 0.18 -0.69 0.00 0.00 174.62 174.93 1zts n LEU 93 N -1.27 0.00 -0.35 4.42 4.77 -1.11 -3.77 117.00 119.69 1zts n LEU 93 Ca 0.12 -2.80 0.12 0.00 -0.03 0.00 0.00 56.01 53.42 1zts n LEU 93 Cb 0.49 0.07 0.31 0.00 -2.33 0.00 0.00 43.42 41.96 1zts n LEU 93 CO 0.46 -0.53 1.21 1.23 -1.33 0.00 0.00 177.39 178.42 1zts h GLY 94 N 0.77 1.71 -3.44 -0.72 0.00 -1.93 0.21 103.07 99.68 1zts h GLY 94 Ca -0.35 -0.37 -0.31 0.00 0.00 0.00 0.00 47.33 46.30 1zts h GLY 94 CO 0.56 -0.00 0.39 1.22 0.00 0.00 0.00 176.54 178.70 1zts n ASP 95 N -4.71 3.89 -2.21 0.19 8.00 -1.26 -4.87 116.55 115.57 1zts n ASP 95 Ca 0.22 -3.14 -0.13 0.00 0.71 0.00 0.00 54.79 52.45 1zts n ASP 95 Cb 0.53 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zts n GLY 96 N -0.48 -0.13 3.85 0.44 0.00 0.75 -4.93 105.19 104.70 1zts n GLY 96 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 1zts n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zts s SER 97 N -2.04 6.49 -1.07 1.61 0.15 -1.26 -4.71 113.70 112.87 1zts s SER 97 Ca 0.00 1.47 -0.06 0.00 0.70 0.00 0.00 55.95 58.06 1zts s SER 97 Cb 0.00 -2.47 0.28 0.00 -1.71 0.00 0.00 66.02 62.11 1zts s SER 97 CO 0.00 -0.65 1.15 -1.20 1.20 0.00 0.00 173.24 173.74 1zts n SER 98 N -1.91 5.52 -4.51 5.45 7.64 -1.26 -2.76 113.62 121.79 1zts n SER 98 Ca 0.06 -3.15 -0.42 0.00 1.01 0.00 0.00 58.87 56.37 1zts n SER 98 Cb 0.54 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.38 1zts n SER 98 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1zts n LEU 99 N 2.24 1.75 -4.90 -3.43 7.94 -1.26 -4.92 117.00 114.43 1zts n LEU 99 Ca 0.24 -0.04 -0.30 0.00 -1.11 0.00 0.00 56.01 54.81 1zts n LEU 99 Cb 0.37 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 42.97 1zts n LEU 99 CO 0.52 -1.08 0.16 0.00 -1.11 0.00 0.00 177.39 175.88 1zts s GLN 100 N 7.82 3.65 0.96 1.96 -2.07 -1.26 -4.99 119.66 125.72 1zts s GLN 100 Ca 1.12 0.00 -0.13 0.00 -1.82 0.00 0.00 55.36 54.53 1zts s GLN 100 Cb -0.67 -2.70 0.03 0.00 -1.09 0.00 0.00 33.01 28.58 1zts s GLN 100 CO 0.39 0.30 0.35 1.63 -1.32 0.00 0.00 175.29 176.64 1zts n LYS 101 N -0.57 -0.30 -1.39 9.60 4.01 -1.26 -4.95 118.16 123.30 1zts n LYS 101 Ca -0.02 -0.05 -0.32 0.00 -0.51 0.00 0.00 58.31 57.42 1zts n LYS 101 Cb 0.53 -1.82 0.08 0.00 -0.51 0.00 0.00 35.03 33.31 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1zts s PRO 102 N -3.56 2.40 -1.38 1.97 0.04 -1.26 -4.92 135.00 128.28 1zts s PRO 102 Ca 0.56 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 1zts s PRO 102 Cb -0.21 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.50 1zts s PRO 102 CO 0.68 -1.54 2.00 -0.25 0.04 0.00 0.00 177.00 177.93 1zts n ASP 103 N -3.22 4.42 -0.73 6.66 8.00 -1.26 -4.58 116.55 125.83 1zts n ASP 103 Ca 0.09 -2.91 0.04 0.00 0.71 0.00 0.00 54.79 52.72 1zts n ASP 103 Cb 0.53 -1.64 0.20 0.00 -0.02 0.00 0.00 41.12 40.19 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1zts n VAL 104 N 5.05 2.26 0.01 2.53 0.24 -1.26 -4.71 118.33 122.46 1zts n VAL 104 Ca 0.48 -2.49 -0.13 0.00 -2.04 0.00 0.00 64.34 60.17 1zts n VAL 104 Cb 0.40 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.41 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 0.96 -0.08 0.00 6.34 -0.00 -1.98 -3.09 116.97 119.13 1zts h TYR 105 Ca 0.07 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.79 1zts h TYR 105 Cb 1.33 0.03 -0.00 0.00 -0.00 0.00 0.00 36.73 38.08 1zts h TYR 105 CO 0.59 0.43 -0.05 0.00 -0.00 0.00 0.00 178.16 179.13 1zts h ALA 106 N 0.24 1.38 -0.34 1.82 0.00 -1.97 0.31 119.26 120.69 1zts h ALA 106 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1zts h ALA 106 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1zts h ALA 106 CO 0.01 0.06 -0.29 -0.07 0.00 0.00 0.00 179.25 178.97 1zts h LEU 107 N 0.00 0.73 -2.93 0.00 3.38 -1.86 -3.08 115.31 111.55 1zts h LEU 107 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1zts h LEU 107 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1zts h LEU 107 CO 0.01 0.98 0.00 2.30 0.09 0.00 0.00 178.44 181.81 1zts n ILE 108 N -4.09 1.20 0.96 1.22 -5.35 -0.74 -4.45 119.36 108.12 1zts n ILE 108 Ca -0.01 -1.12 0.12 0.00 -0.27 0.00 0.00 62.75 61.47 1zts n ILE 108 Cb 0.46 0.39 0.56 0.00 -1.74 0.00 0.00 39.64 39.31 1zts n ILE 108 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1zts n LYS 109 N 0.49 0.11 0.03 6.28 4.81 0.10 -2.90 118.16 127.08 1zts n LYS 109 Ca 0.14 0.06 -0.02 0.00 -0.87 0.00 0.00 58.31 57.63 1zts n LYS 109 Cb 0.52 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.98 1zts n LYS 109 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1zts h ASP 110 N 0.00 0.00 -1.44 3.14 3.45 -1.78 -3.36 116.42 116.43 1zts h ASP 110 Ca 0.00 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1zts h ASP 110 Cb 0.37 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 38.80 1zts h ASP 110 CO 0.00 0.67 0.24 -1.22 -1.57 0.00 0.00 179.24 177.36 1zts n TYR 111 N -2.96 3.11 -3.63 4.55 4.02 -1.14 -4.95 117.16 116.17 1zts n TYR 111 Ca -0.10 -2.67 -0.40 0.00 -0.01 0.00 0.00 57.90 54.72 1zts n TYR 111 Cb 0.88 -0.82 -0.11 0.00 -0.02 0.00 0.00 39.34 39.27 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1zts s VAL 112 N -5.06 4.23 -0.48 -0.72 1.01 -1.25 -4.71 120.40 113.41 1zts s VAL 112 Ca 0.54 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1zts s VAL 112 Cb 0.44 -3.51 0.19 0.00 0.00 0.00 0.00 36.38 33.50 1zts s VAL 112 CO -0.19 -0.40 0.71 -0.75 0.00 0.00 0.00 175.10 174.46 1zts s LYS 113 N 1.45 0.98 0.12 2.72 2.36 -1.09 -5.06 119.74 121.23 1zts s LYS 113 Ca 0.02 -0.79 -0.31 0.00 -2.55 0.00 0.00 55.97 52.34 1zts s LYS 113 Cb -0.22 -0.00 -0.08 0.00 -1.05 0.00 0.00 37.83 36.48 1zts s LYS 113 CO 0.03 -1.26 1.35 -1.25 1.55 0.00 0.00 175.35 175.77 1zts s PRO 114 N 1.19 4.35 -0.37 4.03 0.04 -1.13 -4.81 135.00 138.29 1zts s PRO 114 Ca 0.25 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.46 1zts s PRO 114 Cb -0.01 -3.25 0.40 0.00 0.04 0.00 0.00 34.50 31.68 1zts s PRO 114 CO -0.06 -0.38 0.87 0.00 0.04 0.00 0.00 177.00 177.47 1zts n ALA 115 N 3.70 3.05 -2.43 8.56 0.00 -1.26 -5.08 120.51 127.04 1zts n ALA 115 Ca 0.10 -3.47 -0.23 0.00 0.00 0.00 0.00 53.44 49.84 1zts n ALA 115 Cb 0.43 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1zts n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zts s ASP 116 N -2.89 3.17 0.51 0.00 -0.00 -1.26 -5.14 116.67 111.06 1zts s ASP 116 Ca 0.36 -0.96 0.00 0.00 -0.00 0.00 0.00 52.55 51.95 1zts s ASP 116 Cb 0.39 -0.23 0.00 0.00 -0.00 0.00 0.00 42.92 43.08 1zts s ASP 116 CO -0.04 0.00 0.00 -0.81 -0.00 0.00 0.00 175.17 174.32 1zts n PRO 117 N -0.19 -0.03 -1.10 8.23 -0.04 -1.26 -4.83 135.00 135.77 1zts n PRO 117 Ca -0.09 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 1zts n PRO 117 Cb 0.59 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 1zts n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zts n ASP 118 N -1.53 6.09 -0.00 3.54 2.03 -1.26 -4.02 116.55 121.39 1zts n ASP 118 Ca 0.00 -2.54 0.08 0.00 0.52 0.00 0.00 54.79 52.85 1zts n ASP 118 Cb 0.00 -1.44 -0.11 0.00 -0.72 0.00 0.00 41.12 38.85 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zts n LEU 119 N 2.64 0.46 0.00 -2.67 -0.00 -1.26 -4.99 117.00 111.17 1zts n LEU 119 Ca 0.51 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1zts n LEU 119 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1zts n LEU 119 CO 0.29 0.11 0.00 1.21 -0.00 0.00 0.00 177.39 179.01 1zts n GLU 120 N -1.66 -0.88 0.00 1.47 2.13 -1.26 -4.92 120.64 115.53 1zts n GLU 120 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1zts n GLU 120 Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.04 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zts n GLY 121 N 0.18 -3.43 1.42 8.31 0.00 -1.26 -4.98 105.19 105.43 1zts n GLY 121 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1zts n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1zts n ILE 122 N -1.11 -3.93 -1.37 -0.61 5.41 -1.26 -4.70 119.36 111.80 1zts n ILE 122 Ca 0.00 1.80 -0.13 0.00 1.00 0.00 0.00 62.75 65.43 1zts n ILE 122 Cb 0.00 -2.64 -0.05 0.00 -0.71 0.00 0.00 39.64 36.24 1zts n ILE 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1zts n GLU 123 N -1.56 -1.40 -0.12 0.38 1.02 -1.26 -4.83 120.64 112.86 1zts n GLU 123 Ca 0.00 0.92 -0.27 0.00 -0.02 0.00 0.00 57.16 57.80 1zts n GLU 123 Cb 0.18 -5.20 -0.11 0.00 -0.02 0.00 0.00 31.44 26.29 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1zts n ALA 124 N 1.23 1.11 -0.04 0.62 0.00 -1.26 -3.78 120.51 118.39 1zts n ALA 124 Ca -0.13 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.21 1zts n ALA 124 Cb 0.54 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 1zts n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1zts h LYS 125 N -0.87 0.75 -0.19 0.00 3.64 -1.99 -3.01 116.57 114.91 1zts h LYS 125 Ca -0.60 -0.58 -0.06 0.00 -1.27 0.00 0.00 60.65 58.14 1zts h LYS 125 Cb 1.58 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 1zts h LYS 125 CO -0.32 1.20 -0.15 0.28 -2.27 0.00 0.00 179.45 178.18 1zts h VAL 126 N 0.47 1.20 0.00 2.00 2.07 -1.97 0.10 116.25 120.14 1zts h VAL 126 Ca -0.04 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1zts h VAL 126 Cb 1.30 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1zts h VAL 126 CO 0.14 0.29 -0.34 0.03 0.02 0.00 0.00 177.57 177.71 1zts h ARG 127 N 0.29 0.00 0.00 1.57 3.08 -1.64 -2.21 114.38 115.47 1zts h ARG 127 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1zts h ARG 127 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1zts h ARG 127 CO 0.03 0.34 -0.57 0.52 -1.07 0.00 0.00 179.97 179.22 1zts h MET 128 N 0.00 0.00 -0.84 0.04 2.86 -1.26 -2.89 114.93 112.84 1zts h MET 128 Ca -0.00 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.86 1zts h MET 128 Cb 0.81 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 1zts h MET 128 CO 0.04 0.17 0.58 0.00 1.06 0.00 0.00 176.91 178.77 1zts h ARG 129 N -1.00 0.15 -1.53 1.72 3.08 -0.92 -1.93 114.38 113.95 1zts h ARG 129 Ca -0.05 -0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.45 1zts h ARG 129 Cb 0.59 -0.03 -0.42 0.00 0.08 0.00 0.00 29.97 30.19 1zts h ARG 129 CO -0.03 0.10 -0.83 0.43 -1.07 0.00 0.00 179.97 178.57 1zts n SER 130 N -4.38 3.90 -4.78 7.04 7.64 -0.83 -5.08 113.62 117.14 1zts n SER 130 Ca 0.17 -3.49 -0.37 0.00 1.01 0.00 0.00 58.87 56.19 1zts n SER 130 Cb 0.81 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1zts s ILE 131 N -4.82 4.21 -0.08 0.44 2.07 -0.73 -4.79 121.20 117.50 1zts s ILE 131 Ca 0.44 1.83 0.14 0.00 -1.41 0.00 0.00 60.65 61.65 1zts s ILE 131 Cb 0.40 -4.04 -0.23 0.00 0.13 0.00 0.00 42.46 38.71 1zts s ILE 131 CO -0.13 0.19 0.51 0.18 -1.91 0.00 0.00 174.94 173.77 1zts n LEU 132 N 0.67 0.65 -2.72 8.50 4.77 -1.26 -5.06 117.00 122.55 1zts n LEU 132 Ca 0.01 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1zts n LEU 132 Cb 0.50 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 1zts n LEU 132 CO 0.45 0.41 -0.54 1.21 -1.33 0.00 0.00 177.39 177.59 1zts n GLU 133 N -2.97 -3.64 -4.30 3.23 2.13 -1.26 -5.00 120.64 108.84 1zts n GLU 133 Ca -0.21 2.87 -0.34 0.00 0.66 0.00 0.00 57.16 60.14 1zts n GLU 133 Cb 1.08 -4.93 -0.13 0.00 0.27 0.00 0.00 31.44 27.73 1zts n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1zts s HIS 134 N -1.25 2.97 -0.05 4.31 3.76 -1.26 -5.07 115.29 118.70 1zts s HIS 134 Ca -0.09 -0.53 -0.30 0.00 -0.15 0.00 0.00 55.06 53.99 1zts s HIS 134 Cb 0.01 -1.99 0.10 0.00 1.11 0.00 0.00 32.58 31.80 1zts s HIS 134 CO 0.73 -0.22 1.33 -1.58 -0.85 0.00 0.00 174.74 174.14 1zts s HIS 135 N 0.73 0.01 0.51 1.40 5.04 -1.26 -5.15 115.29 116.58 1zts s HIS 135 Ca -0.02 -0.08 -0.21 0.00 -1.54 0.00 0.00 55.06 53.20 1zts s HIS 135 Cb -0.15 0.53 -0.08 0.00 0.04 0.00 0.00 32.58 32.93 1zts s HIS 135 CO 0.02 -0.16 0.92 0.72 -2.34 0.00 0.00 174.74 173.90 1zts n HIS 136 N -0.94 0.75 -1.85 3.88 8.25 -1.26 -4.86 115.22 119.19 1zts n HIS 136 Ca 0.05 0.49 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 1zts n HIS 136 Cb 0.58 -2.15 -0.03 0.00 1.12 0.00 0.00 29.99 29.51 1zts n HIS 136 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1zts s HIS 137 N -1.44 2.76 -0.46 4.41 -3.43 -1.26 -4.93 115.29 110.95 1zts s HIS 137 Ca 0.69 0.40 0.03 0.00 -0.80 0.00 0.00 55.06 55.38 1zts s HIS 137 Cb -0.49 -4.02 0.22 0.00 -1.43 0.00 0.00 32.58 26.86 1zts s HIS 137 CO 0.53 -3.94 0.90 1.58 -2.00 0.00 0.00 174.74 171.80 1zts n HIS 138 N 4.54 -2.80 1.06 0.38 -0.00 -1.26 -5.33 115.22 111.81 1zts n HIS 138 Ca 0.15 -1.28 0.12 0.00 -0.00 0.00 0.00 57.72 56.71 1zts n HIS 138 Cb 0.38 1.40 0.15 0.00 -0.00 0.00 0.00 29.99 31.92 1zts n HIS 138 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06