#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 -2.75 4.03 4.77 -1.26 -5.03 117.00 116.76 1zts n LEU 2 Ca 0.00 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 1zts n LEU 2 Cb 0.00 -0.72 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1zts n LEU 2 CO 0.00 -2.06 0.00 0.18 -1.33 0.00 0.00 177.39 174.18 1zts n LEU 3 N 0.00 0.54 -4.12 2.23 4.32 -1.26 -5.11 117.00 113.60 1zts n LEU 3 Ca 0.11 -3.86 -0.11 0.00 -0.02 0.00 0.00 56.01 52.12 1zts n LEU 3 Cb 0.43 0.42 -0.08 0.00 -1.62 0.00 0.00 43.42 42.57 1zts n LEU 3 CO 0.29 1.76 -0.05 0.27 -1.22 0.00 0.00 177.39 178.44 1zts s ILE 4 N -2.23 0.00 0.27 -0.08 -4.36 -1.26 -5.17 121.20 108.37 1zts s ILE 4 Ca 0.28 -1.75 0.11 0.00 -0.26 0.00 0.00 60.65 59.03 1zts s ILE 4 Cb 0.42 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.69 1zts s ILE 4 CO -0.01 0.00 -0.11 0.42 0.24 0.00 0.00 174.94 175.49 1zts s THR 5 N -3.98 2.95 0.19 8.37 -4.23 -1.26 -5.05 115.64 112.63 1zts s THR 5 Ca 0.32 -2.15 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1zts s THR 5 Cb 0.03 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1zts s THR 5 CO 0.12 -0.37 1.54 1.55 -0.54 0.00 0.00 174.62 176.92 1zts h PRO 6 N 2.13 0.69 -0.18 3.99 0.13 -1.91 -3.00 132.00 133.85 1zts h PRO 6 Ca -0.42 -0.37 0.03 0.00 -0.87 0.00 0.00 66.00 64.37 1zts h PRO 6 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1zts h PRO 6 CO 0.60 0.98 0.12 -0.44 -0.23 0.00 0.00 178.00 179.03 1zts h ASP 7 N 0.56 0.11 -0.24 1.44 3.32 -1.96 -1.90 116.42 117.75 1zts h ASP 7 Ca 0.04 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1zts h ASP 7 Cb 0.95 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1zts h ASP 7 CO 0.09 0.07 -0.53 -0.08 -1.72 0.00 0.00 179.24 177.07 1zts h GLU 8 N 0.12 0.79 -0.46 3.56 4.22 -1.95 -2.37 114.58 118.50 1zts h GLU 8 Ca 0.08 -0.52 0.08 0.00 0.08 0.00 0.00 59.36 59.08 1zts h GLU 8 Cb 0.15 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1zts h GLU 8 CO -0.01 1.15 0.02 1.25 -2.18 0.00 0.00 179.01 179.24 1zts h LEU 9 N 0.53 -0.14 -0.94 1.64 5.85 -1.33 0.26 115.31 121.18 1zts h LEU 9 Ca 0.00 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1zts h LEU 9 Cb 1.14 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1zts h LEU 9 CO 0.12 -0.04 -0.49 0.07 -0.34 0.00 0.00 178.44 177.76 1zts h LYS 10 N 0.14 0.00 -0.35 1.25 2.10 -1.55 0.27 116.57 118.42 1zts h LYS 10 Ca 0.23 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.77 1zts h LYS 10 Cb 0.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1zts h LYS 10 CO -0.36 0.49 -0.22 1.03 -2.00 0.00 0.00 179.45 178.40 1zts h SER 11 N 0.00 0.68 0.01 7.07 0.87 -0.53 -3.31 113.55 118.35 1zts h SER 11 Ca -0.00 -0.24 -0.25 0.00 -1.23 0.00 0.00 61.79 60.07 1zts h SER 11 Cb 0.93 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1zts h SER 11 CO 0.06 0.89 -1.36 0.00 -0.53 0.00 0.00 176.83 175.90 1zts n TYR 12 N -4.12 1.02 -0.67 2.24 9.36 -0.09 -4.95 117.16 119.95 1zts n TYR 12 Ca 0.00 0.42 -0.31 0.00 3.32 0.00 0.00 57.90 61.33 1zts n TYR 12 Cb 0.42 -1.11 0.17 0.00 -0.63 0.00 0.00 39.34 38.19 1zts n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1zts n SER 13 N -4.34 -0.66 -0.01 2.98 2.88 0.93 -4.97 113.62 110.42 1zts n SER 13 Ca -0.33 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1zts n SER 13 Cb 0.72 -1.36 -0.05 0.00 -0.75 0.00 0.00 64.21 62.78 1zts n SER 13 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zts n VAL 14 N -4.24 0.18 -1.63 2.46 0.24 -1.26 -4.83 118.33 109.25 1zts n VAL 14 Ca 0.09 -0.18 -0.44 0.00 -2.04 0.00 0.00 64.34 61.76 1zts n VAL 14 Cb 0.53 -0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.65 1zts n VAL 14 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1zts n PHE 15 N -1.94 2.22 0.32 6.34 3.01 -1.26 -4.82 117.46 121.33 1zts n PHE 15 Ca -0.05 -0.17 0.20 0.00 1.01 0.00 0.00 57.45 58.44 1zts n PHE 15 Cb 0.41 -2.73 1.10 0.00 -0.01 0.00 0.00 39.48 38.24 1zts n PHE 15 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1zts h GLU 16 N 12.02 0.00 -0.19 -1.08 4.81 -1.99 -0.75 114.58 127.40 1zts h GLU 16 Ca -0.45 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 1zts h GLU 16 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1zts h GLU 16 CO 0.96 0.00 -0.47 0.77 -0.73 0.00 0.00 179.01 179.54 1zts h SER 17 N 0.00 0.52 0.52 1.04 0.02 -1.93 0.25 113.55 113.97 1zts h SER 17 Ca 0.01 -0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.52 1zts h SER 17 Cb 0.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1zts h SER 17 CO -0.00 0.91 -0.82 0.58 -1.14 0.00 0.00 176.83 176.37 1zts h VAL 18 N 0.39 1.47 0.05 2.27 2.07 -1.40 -2.87 116.25 118.23 1zts h VAL 18 Ca 0.02 -2.47 -0.09 0.00 0.82 0.00 0.00 66.70 64.99 1zts h VAL 18 Cb 0.97 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1zts h VAL 18 CO 0.09 0.72 -0.41 0.11 0.02 0.00 0.00 177.57 178.10 1zts h LYS 19 N 0.13 0.10 -0.40 1.57 1.57 -1.41 -3.31 116.57 114.82 1zts h LYS 19 Ca -0.04 -0.17 0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1zts h LYS 19 Cb 1.42 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.77 1zts h LYS 19 CO 0.13 1.08 0.28 0.00 -0.57 0.00 0.00 179.45 180.37 1zts h THR 20 N -0.78 0.83 -4.11 -0.16 1.03 -0.60 -3.43 112.91 105.69 1zts h THR 20 Ca -0.08 -0.02 -0.53 0.00 -0.01 0.00 0.00 66.41 65.77 1zts h THR 20 Cb 1.25 0.76 0.20 0.00 -1.07 0.00 0.00 68.15 69.29 1zts h THR 20 CO 0.03 0.01 0.14 0.54 -0.01 0.00 0.00 175.52 176.23 1zts n ARG 21 N -4.44 -0.22 -0.01 0.00 1.74 -1.08 -5.01 116.66 107.64 1zts n ARG 21 Ca 0.06 0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1zts n ARG 21 Cb 0.43 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 1zts n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1zts n PRO 22 N -3.54 -1.04 -0.04 5.56 -0.04 -1.26 -4.96 135.00 129.69 1zts n PRO 22 Ca 0.12 -0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1zts n PRO 22 Cb 0.52 -0.02 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 1zts n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zts n ASP 23 N -3.02 0.26 -0.03 3.54 8.00 -1.26 -3.78 116.55 120.26 1zts n ASP 23 Ca 0.00 0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.46 1zts n ASP 23 Cb 0.01 1.02 -0.08 0.00 -0.02 0.00 0.00 41.12 42.04 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1zts h GLU 24 N 0.00 0.58 -0.19 -1.24 4.11 -2.01 -3.03 114.58 112.80 1zts h GLU 24 Ca -0.29 -0.45 -0.03 0.00 0.07 0.00 0.00 59.36 58.66 1zts h GLU 24 Cb 1.72 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1zts h GLU 24 CO 0.03 1.08 -0.01 -0.07 0.07 0.00 0.00 179.01 180.10 1zts h LEU 25 N 0.21 0.35 -0.65 3.06 3.38 -1.97 -2.97 115.31 116.72 1zts h LEU 25 Ca -0.03 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.74 1zts h LEU 25 Cb 1.16 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1zts h LEU 25 CO 0.11 0.59 0.17 -0.07 0.09 0.00 0.00 178.44 179.33 1zts h LEU 26 N 0.10 0.05 -0.36 1.67 3.38 -1.65 -1.02 115.31 117.48 1zts h LEU 26 Ca 0.05 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1zts h LEU 26 Cb 0.42 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1zts h LEU 26 CO 0.01 0.02 0.11 0.11 0.09 0.00 0.00 178.44 178.79 1zts h LYS 27 N 0.30 0.25 -0.47 1.13 1.57 -1.46 0.12 116.57 118.00 1zts h LYS 27 Ca 0.35 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 1zts h LYS 27 Cb 0.52 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1zts h LYS 27 CO -0.42 0.16 0.24 1.96 -0.57 0.00 0.00 179.45 180.83 1zts h GLN 28 N 0.25 0.47 -0.39 3.15 4.20 -1.07 -0.43 115.11 121.29 1zts h GLN 28 Ca 0.16 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1zts h GLN 28 Cb 0.15 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1zts h GLN 28 CO -0.18 0.31 0.12 0.22 -0.67 0.00 0.00 178.83 178.63 1zts h ASP 29 N 0.48 0.57 -1.00 1.46 3.58 -0.75 -0.14 116.42 120.63 1zts h ASP 29 Ca 0.20 -0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1zts h ASP 29 Cb 0.10 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 1zts h ASP 29 CO -0.13 0.63 0.66 0.40 -2.88 0.00 0.00 179.24 177.91 1zts h ILE 30 N 0.48 1.22 0.00 2.25 2.04 -0.37 0.14 117.51 123.28 1zts h ILE 30 Ca 0.13 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1zts h ILE 30 Cb 0.26 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1zts h ILE 30 CO -0.00 0.24 -0.61 -0.07 0.00 0.00 0.00 178.15 177.71 1zts h LEU 31 N 1.32 0.00 -0.05 1.44 3.38 -0.86 -3.00 115.31 117.52 1zts h LEU 31 Ca 0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 1zts h LEU 31 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1zts h LEU 31 CO -0.10 0.61 -0.46 -0.08 0.09 0.00 0.00 178.44 178.51 1zts h GLU 32 N 0.00 0.00 -0.10 1.13 4.22 -0.12 -3.30 114.58 116.42 1zts h GLU 32 Ca -0.01 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.26 1zts h GLU 32 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1zts h GLU 32 CO 0.08 0.46 -0.61 0.00 -2.18 0.00 0.00 179.01 176.76 1zts h ALA 33 N 1.54 0.21 -0.09 2.92 0.00 -0.66 -3.11 119.26 120.07 1zts h ALA 33 Ca -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1zts h ALA 33 Cb 1.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1zts h ALA 33 CO 0.06 0.46 0.19 0.00 0.00 0.00 0.00 179.25 179.96 1zts h THR 34 N 0.21 0.21 0.00 0.00 1.03 -1.60 0.60 112.91 113.36 1zts h THR 34 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.30 1zts h THR 34 Cb 1.26 0.83 -0.01 0.00 -1.07 0.00 0.00 68.15 69.16 1zts h THR 34 CO 0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 175.52 175.40 1zts h ALA 35 N 1.70 1.50 0.19 0.00 0.00 -1.65 -1.41 119.26 119.59 1zts h ALA 35 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1zts h ALA 35 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1zts h ALA 35 CO -0.00 0.29 -0.09 0.22 0.00 0.00 0.00 179.25 179.67 1zts h ASP 36 N 0.00 -0.22 0.10 0.00 3.58 -1.03 -2.60 116.42 116.26 1zts h ASP 36 Ca -0.00 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.20 1zts h ASP 36 Cb 0.44 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1zts h ASP 36 CO 0.03 0.32 -0.18 0.40 -2.88 0.00 0.00 179.24 176.93 1zts h ILE 37 N -0.95 0.59 -0.71 2.25 2.04 -1.58 -1.87 117.51 117.27 1zts h ILE 37 Ca -0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1zts h ILE 37 Cb 0.46 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1zts h ILE 37 CO 0.04 0.00 0.48 0.40 0.00 0.00 0.00 178.15 179.07 1zts h ILE 38 N -0.35 0.84 0.00 -0.67 2.04 -1.39 0.26 117.51 118.24 1zts h ILE 38 Ca 0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1zts h ILE 38 Cb 0.37 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1zts h ILE 38 CO -0.10 0.08 -0.10 -0.07 0.00 0.00 0.00 178.15 177.97 1zts h LEU 39 N 0.45 0.00 0.06 1.44 3.38 -0.93 0.29 115.31 120.00 1zts h LEU 39 Ca 0.34 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 1zts h LEU 39 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1zts h LEU 39 CO -0.11 0.10 -0.81 0.11 0.09 0.00 0.00 178.44 177.82 1zts h LYS 40 N 0.00 0.12 0.00 1.13 1.57 -0.13 -3.34 116.57 115.92 1zts h LYS 40 Ca -0.00 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1zts h LYS 40 Cb 0.44 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1zts h LYS 40 CO 0.01 1.10 -0.21 -0.39 -0.57 0.00 0.00 179.45 179.39 1zts h VAL 41 N -0.70 0.42 -0.20 0.50 -1.51 -1.28 -3.45 116.25 110.04 1zts h VAL 41 Ca -0.18 -1.27 -0.08 0.00 -1.23 0.00 0.00 66.70 63.93 1zts h VAL 41 Cb 1.39 1.94 -0.03 0.00 -2.13 0.00 0.00 31.29 32.46 1zts h VAL 41 CO -0.00 0.20 -0.08 0.61 -1.23 0.00 0.00 177.57 177.07 1zts n GLY 42 N 0.60 0.70 3.21 5.19 0.00 0.10 -4.38 105.19 110.61 1zts n GLY 42 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1zts n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zts s HIS 43 N -2.15 -0.35 -0.25 1.61 3.76 -1.12 -5.04 115.29 111.74 1zts s HIS 43 Ca 0.00 0.86 0.12 0.00 -0.15 0.00 0.00 55.06 55.90 1zts s HIS 43 Cb 0.00 0.12 0.59 0.00 1.11 0.00 0.00 32.58 34.40 1zts s HIS 43 CO 0.00 -0.17 1.55 -0.40 -0.85 0.00 0.00 174.74 174.87 1zts n ASP 44 N 2.95 3.76 -3.71 1.40 3.85 -1.26 -4.63 116.55 118.90 1zts n ASP 44 Ca -0.13 -3.30 -0.26 0.00 -0.71 0.00 0.00 54.79 50.40 1zts n ASP 44 Cb 0.58 -0.63 0.03 0.00 -1.35 0.00 0.00 41.12 39.75 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1zts n PHE 45 N -0.60 -1.90 0.21 2.11 3.72 -1.26 -4.39 117.46 115.35 1zts n PHE 45 Ca 0.31 0.66 -0.12 0.00 -0.05 0.00 0.00 57.45 58.25 1zts n PHE 45 Cb 1.08 -3.85 -0.06 0.00 -0.94 0.00 0.00 39.48 35.71 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 -1.81 -0.50 -1.29 4.37 0.87 -1.93 -3.43 113.55 109.83 1zts h SER 46 Ca -0.64 -0.08 -0.67 0.00 -1.23 0.00 0.00 61.79 59.17 1zts h SER 46 Cb 1.36 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.44 1zts h SER 46 CO 0.53 -0.08 1.34 0.47 -0.53 0.00 0.00 176.83 178.56 1zts n ASP 47 N -5.19 2.38 0.24 6.23 9.92 -1.26 -4.78 116.55 124.08 1zts n ASP 47 Ca -0.09 0.53 0.18 0.00 -0.53 0.00 0.00 54.79 54.87 1zts n ASP 47 Cb 0.28 -1.28 0.88 0.00 -0.64 0.00 0.00 41.12 40.36 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zts h ALA 48 N 11.68 1.64 -0.49 2.24 0.00 -2.02 0.24 119.26 132.56 1zts h ALA 48 Ca -0.32 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1zts h ALA 48 Cb 1.31 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1zts h ALA 48 CO 1.00 -0.27 0.10 -0.85 0.00 0.00 0.00 179.25 179.22 1zts n GLU 49 N -3.57 3.49 -2.71 0.00 0.28 -1.26 -4.27 120.64 112.60 1zts n GLU 49 Ca 0.01 -2.30 -0.08 0.00 -0.16 0.00 0.00 57.16 54.63 1zts n GLU 49 Cb 0.31 -2.03 0.11 0.00 1.43 0.00 0.00 31.44 31.26 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1zts n TYR 50 N 0.23 -2.65 -3.33 -1.84 9.36 0.85 -5.04 117.16 114.73 1zts n TYR 50 Ca 0.25 -2.02 -0.30 0.00 3.32 0.00 0.00 57.90 59.15 1zts n TYR 50 Cb 1.03 1.61 -0.06 0.00 -0.63 0.00 0.00 39.34 41.30 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 -0.15 2.95 -2.23 2.97 5.41 -1.22 -4.69 119.36 122.40 1zts n ILE 51 Ca 0.01 -5.37 -0.41 0.00 1.00 0.00 0.00 62.75 57.98 1zts n ILE 51 Cb 0.78 -2.08 -0.03 0.00 -0.71 0.00 0.00 39.64 37.60 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 -2.57 4.41 -0.47 0.38 0.04 -1.26 -5.00 135.00 130.52 1zts s PRO 52 Ca 0.39 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1zts s PRO 52 Cb 0.13 -3.17 0.17 0.00 0.04 0.00 0.00 34.50 31.67 1zts s PRO 52 CO 0.01 -0.19 0.39 -0.11 0.04 0.00 0.00 177.00 177.14 1zts n LEU 53 N 2.17 0.30 0.00 -3.56 7.94 -1.26 -5.08 117.00 117.50 1zts n LEU 53 Ca 0.04 -4.57 -0.20 0.00 -1.11 0.00 0.00 56.01 50.18 1zts n LEU 53 Cb 0.43 0.27 0.16 0.00 0.53 0.00 0.00 43.42 44.82 1zts n LEU 53 CO 0.58 1.85 0.40 -0.81 -1.11 0.00 0.00 177.39 178.29 1zts n PRO 54 N 2.57 -2.42 0.14 1.96 -0.04 -1.26 -4.88 135.00 131.06 1zts n PRO 54 Ca 0.28 -1.15 0.02 0.00 -0.04 0.00 0.00 63.50 62.61 1zts n PRO 54 Cb 0.46 -1.07 0.06 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.15 0.54 4.81 -1.99 -3.12 114.58 114.66 1zts h GLU 55 Ca -0.27 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1zts h GLU 55 Cb 0.82 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 1zts h GLU 55 CO 0.18 0.52 -0.12 1.79 -0.73 0.00 0.00 179.01 180.64 1zts h THR 56 N 0.00 1.34 -0.24 0.32 1.35 -1.93 -2.56 112.91 111.19 1zts h THR 56 Ca -0.01 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 1zts h THR 56 Cb 1.34 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 1zts h THR 56 CO 0.07 0.37 0.10 0.58 -0.25 0.00 0.00 175.52 176.39 1zts h VAL 57 N -0.01 1.16 -0.84 6.82 2.07 -1.80 -0.21 116.25 123.43 1zts h VAL 57 Ca 0.03 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1zts h VAL 57 Cb 0.64 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1zts h VAL 57 CO 0.03 0.16 0.55 -0.09 0.02 0.00 0.00 177.57 178.24 1zts h ARG 58 N 0.24 0.84 -0.06 1.57 2.43 -1.58 -1.83 114.38 115.99 1zts h ARG 58 Ca 0.08 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1zts h ARG 58 Cb 0.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1zts h ARG 58 CO -0.01 0.56 -0.24 1.25 -1.51 0.00 0.00 179.97 180.02 1zts h LEU 59 N 0.87 0.31 -0.71 3.80 5.85 -1.14 -2.47 115.31 121.81 1zts h LEU 59 Ca 0.37 -0.64 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1zts h LEU 59 Cb 0.32 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1zts h LEU 59 CO -0.14 0.90 0.26 0.00 -0.34 0.00 0.00 178.44 179.11 1zts h ALA 60 N 0.42 0.97 -0.36 1.25 0.00 -0.54 -0.38 119.26 120.63 1zts h ALA 60 Ca -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1zts h ALA 60 Cb 0.89 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1zts h ALA 60 CO 0.05 -0.23 -0.14 1.25 0.00 0.00 0.00 179.25 180.17 1zts h LEU 61 N 0.40 0.74 -1.08 0.00 7.12 -1.40 -1.47 115.31 119.62 1zts h LEU 61 Ca 0.39 -0.39 0.07 0.00 0.13 0.00 0.00 57.88 58.08 1zts h LEU 61 Cb 0.58 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.44 1zts h LEU 61 CO -0.40 0.97 0.62 -0.07 -0.13 0.00 0.00 178.44 179.43 1zts h LEU 62 N 0.51 0.96 -0.05 2.25 3.38 -0.76 0.25 115.31 121.85 1zts h LEU 62 Ca 0.08 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1zts h LEU 62 Cb 0.68 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1zts h LEU 62 CO 0.05 0.60 -0.23 0.11 0.09 0.00 0.00 178.44 179.05 1zts h LYS 63 N 1.08 0.25 -0.83 1.13 1.57 -1.00 -3.18 116.57 115.59 1zts h LYS 63 Ca 0.42 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1zts h LYS 63 Cb 0.24 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1zts h LYS 63 CO -0.17 0.84 0.50 -0.07 -0.57 0.00 0.00 179.45 179.98 1zts h LEU 64 N -0.28 0.99 -1.33 2.94 3.38 -0.85 -1.91 115.31 118.26 1zts h LEU 64 Ca -0.01 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1zts h LEU 64 Cb 0.88 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1zts h LEU 64 CO 0.05 0.76 0.51 -1.28 0.09 0.00 0.00 178.44 178.57 1zts h SER 65 N 1.14 0.70 0.08 -0.43 0.87 -0.55 -1.78 113.55 113.58 1zts h SER 65 Ca 0.30 0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.61 1zts h SER 65 Cb -0.05 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1zts h SER 65 CO -0.06 0.43 -1.01 -0.61 -0.53 0.00 0.00 176.83 175.06 1zts h GLN 66 N 0.78 0.63 0.02 2.24 -0.00 -1.36 -2.22 115.11 115.21 1zts h GLN 66 Ca 0.35 -0.67 0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1zts h GLN 66 Cb 0.34 0.19 -0.05 0.00 0.00 0.00 0.00 27.48 27.96 1zts h GLN 66 CO -0.13 1.27 -0.30 0.35 0.00 0.00 0.00 178.83 180.02 1zts h PHE 67 N 0.36 -0.83 0.07 3.99 3.57 -0.63 0.24 116.94 123.71 1zts h PHE 67 Ca -0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1zts h PHE 67 Cb 1.66 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.76 1zts h PHE 67 CO 0.09 -0.40 -0.03 1.88 -2.23 0.00 0.00 178.31 177.62 1zts h TYR 68 N -0.46 -0.09 -0.58 0.41 0.05 -1.54 -2.89 116.97 111.86 1zts h TYR 68 Ca 0.06 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.00 1zts h TYR 68 Cb 0.54 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1zts h TYR 68 CO -0.32 0.28 0.47 0.00 -1.05 0.00 0.00 178.16 177.54 1zts h ALA 69 N 0.43 2.46 -0.09 3.88 0.00 -1.25 0.90 119.26 125.59 1zts h ALA 69 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1zts h ALA 69 Cb 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1zts h ALA 69 CO 0.02 -0.77 -0.10 1.25 0.00 0.00 0.00 179.25 179.64 1zts h LEU 70 N 0.00 0.24 -3.07 0.00 5.85 -0.31 -3.09 115.31 114.92 1zts h LEU 70 Ca 0.28 -0.50 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1zts h LEU 70 Cb 1.22 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1zts h LEU 70 CO -0.00 0.70 0.14 2.30 -0.34 0.00 0.00 178.44 181.23 1zts n ILE 71 N -4.65 2.22 -0.02 4.05 -5.35 -0.32 -3.10 119.36 112.19 1zts n ILE 71 Ca -0.07 -1.15 -0.00 0.00 -0.27 0.00 0.00 62.75 61.26 1zts n ILE 71 Cb 0.33 -0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 37.76 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 0.13 3.32 -1.37 7.28 4.13 0.16 -4.75 115.26 124.15 1zts n ASN 72 Ca 0.27 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.57 1zts n ASN 72 Cb 1.08 0.95 0.02 0.00 -1.54 0.00 0.00 39.78 40.28 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 2.37 0.94 0.00 7.41 0.00 -1.18 -5.06 105.19 109.67 1zts n GLY 73 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.44 -0.92 0.00 1.61 4.64 -1.18 -4.98 116.55 116.16 1zts n ASP 74 Ca 0.05 -0.53 0.00 0.00 -1.38 0.00 0.00 54.79 52.93 1zts n ASP 74 Cb 1.09 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 41.17 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 -1.45 0.00 -2.98 -0.67 1.02 -1.26 -4.62 120.64 110.68 1zts n GLU 75 Ca 0.00 0.48 -0.15 0.00 -0.02 0.00 0.00 57.16 57.47 1zts n GLU 75 Cb 0.00 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.65 -1.76 -4.47 1.62 7.64 -1.26 -5.11 113.62 108.62 1zts n SER 76 Ca 0.00 -2.90 -0.39 0.00 1.01 0.00 0.00 58.87 56.59 1zts n SER 76 Cb 0.00 0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.10 4.85 0.37 0.44 1.01 -1.26 -4.79 121.20 121.93 1zts s ILE 77 Ca 0.33 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1zts s ILE 77 Cb 0.14 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 39.02 1zts s ILE 77 CO -0.16 0.04 0.95 -0.63 0.00 0.00 0.00 174.94 175.14 1zts s ILE 78 N 1.65 4.27 -0.14 2.92 1.01 -1.25 -4.96 121.20 124.71 1zts s ILE 78 Ca 0.05 1.66 -0.02 0.00 0.00 0.00 0.00 60.65 62.34 1zts s ILE 78 Cb -0.17 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1zts s ILE 78 CO 0.08 -0.07 0.02 -1.59 0.00 0.00 0.00 174.94 173.38 1zts s LYS 79 N -2.58 0.63 -1.07 2.79 -2.85 -1.26 -2.85 119.74 112.55 1zts s LYS 79 Ca 0.56 -0.18 -0.17 0.00 -1.00 0.00 0.00 55.97 55.18 1zts s LYS 79 Cb -0.14 -1.60 0.14 0.00 -2.06 0.00 0.00 37.83 34.16 1zts s LYS 79 CO 0.19 -0.49 1.31 0.20 0.10 0.00 0.00 175.35 176.66 1zts s GLY 80 N 1.92 2.07 0.24 0.59 0.00 -1.16 -4.98 107.32 106.00 1zts s GLY 80 Ca 0.02 -2.99 0.10 0.00 0.00 0.00 0.00 44.72 41.84 1zts s GLY 80 CO -0.07 2.11 -0.17 -2.52 0.00 0.00 0.00 173.10 172.45 1zts s TYR 81 N 2.45 1.97 0.32 1.90 1.13 -1.26 -4.77 117.35 119.09 1zts s TYR 81 Ca 0.39 -0.46 0.09 0.00 -1.41 0.00 0.00 57.07 55.68 1zts s TYR 81 Cb -0.03 -0.89 -0.05 0.00 -1.10 0.00 0.00 41.96 39.89 1zts s TYR 81 CO -0.05 0.52 0.03 0.95 -2.51 0.00 0.00 175.55 174.49 1zts s THR 82 N -2.73 2.85 0.00 -3.49 -4.23 -1.26 -5.06 115.64 101.72 1zts s THR 82 Ca 0.26 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1zts s THR 82 Cb -0.03 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1zts s THR 82 CO 0.10 -0.23 0.00 1.07 -0.54 0.00 0.00 174.62 175.02 1zts n THR 83 N -0.98 0.00 -0.07 3.99 5.66 -1.26 -4.71 114.28 116.92 1zts n THR 83 Ca -0.04 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.95 1zts n THR 83 Cb 0.61 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.40 1zts n THR 83 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1zts n GLU 84 N -0.17 -1.94 -1.91 1.09 2.13 -1.26 -4.86 120.64 113.73 1zts n GLU 84 Ca 0.00 -0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.37 1zts n GLU 84 Cb 0.00 -0.04 -0.03 0.00 0.27 0.00 0.00 31.44 31.64 1zts n GLU 84 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1zts s LYS 85 N -3.05 4.19 -0.00 5.31 -0.14 -1.26 -4.86 119.74 119.93 1zts s LYS 85 Ca 0.01 2.35 0.05 0.00 -1.36 0.00 0.00 55.97 57.02 1zts s LYS 85 Cb -0.00 -3.62 -0.06 0.00 -1.68 0.00 0.00 37.83 32.47 1zts s LYS 85 CO 0.01 -0.75 0.18 -0.89 -0.76 0.00 0.00 175.35 173.15 1zts n ILE 86 N 4.77 0.00 -3.20 2.17 5.41 -1.26 -5.03 119.36 122.22 1zts n ILE 86 Ca 0.16 -0.34 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 1zts n ILE 86 Cb 0.40 0.89 0.06 0.00 -0.71 0.00 0.00 39.64 40.29 1zts n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1zts n GLY 87 N 1.30 -0.14 0.69 7.39 0.00 -1.26 -5.03 105.19 108.15 1zts n GLY 87 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1zts n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 88 N -2.09 0.29 -3.00 1.61 -0.08 -1.26 -5.01 116.55 107.01 1zts n ASP 88 Ca -0.08 -1.23 -0.38 0.00 -1.51 0.00 0.00 54.79 51.59 1zts n ASP 88 Cb 0.58 -0.10 0.03 0.00 2.34 0.00 0.00 41.12 43.96 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1zts n TYR 89 N -1.49 3.02 -2.72 -0.67 4.02 -1.26 -4.79 117.16 113.27 1zts n TYR 89 Ca 0.03 -2.50 -0.37 0.00 -0.01 0.00 0.00 57.90 55.05 1zts n TYR 89 Cb 0.11 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.38 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1zts n SER 90 N -0.44 6.56 -3.57 7.72 7.64 -1.26 -4.90 113.62 125.37 1zts n SER 90 Ca 0.50 -3.69 -0.29 0.00 1.01 0.00 0.00 58.87 56.40 1zts n SER 90 Cb 0.29 -1.00 -0.15 0.00 -1.01 0.00 0.00 64.21 62.34 1zts n SER 90 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1zts s TYR 91 N -4.10 0.67 -0.18 1.43 2.02 -1.26 -2.98 117.35 112.96 1zts s TYR 91 Ca 0.42 -1.18 -0.14 0.00 -0.37 0.00 0.00 57.07 55.80 1zts s TYR 91 Cb 0.22 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.65 1zts s TYR 91 CO -0.13 -0.84 0.29 0.99 -1.57 0.00 0.00 175.55 174.29 1zts s THR 92 N 1.83 5.30 0.77 -0.71 2.01 -1.13 -4.24 115.64 119.46 1zts s THR 92 Ca 0.11 0.52 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1zts s THR 92 Cb -0.17 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.76 1zts s THR 92 CO -0.29 0.37 1.13 -0.76 -0.69 0.00 0.00 174.62 174.38 1zts s LEU 93 N 0.64 2.66 0.60 4.42 1.43 -1.06 -3.96 118.68 123.41 1zts s LEU 93 Ca 0.16 1.00 0.30 0.00 -1.03 0.00 0.00 54.13 54.55 1zts s LEU 93 Cb -0.13 -3.63 1.70 0.00 0.03 0.00 0.00 46.19 44.16 1zts s LEU 93 CO 0.04 -1.70 2.10 1.23 0.23 0.00 0.00 176.35 178.25 1zts h GLY 94 N -0.91 0.00 -3.60 -3.19 0.00 -1.91 0.13 103.07 93.59 1zts h GLY 94 Ca -0.46 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.59 1zts h GLY 94 CO 0.64 0.00 0.36 1.22 0.00 0.00 0.00 176.54 178.76 1zts n ASP 95 N -3.67 4.30 -2.28 0.19 8.00 -1.26 -4.89 116.55 116.94 1zts n ASP 95 Ca 0.01 -3.20 -0.13 0.00 0.71 0.00 0.00 54.79 52.18 1zts n ASP 95 Cb 0.33 -0.75 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.37 -0.24 3.82 0.44 0.00 0.46 -4.93 105.19 104.37 1zts n GLY 96 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 1zts n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zts s SER 97 N -2.04 7.01 -1.17 1.61 1.04 -1.25 -4.84 113.70 114.06 1zts s SER 97 Ca 0.00 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.58 1zts s SER 97 Cb 0.00 -2.36 0.22 0.00 0.10 0.00 0.00 66.02 63.99 1zts s SER 97 CO 0.00 0.17 1.29 -1.54 0.98 0.00 0.00 173.24 174.15 1zts n SER 98 N 1.24 5.38 -4.59 7.02 3.41 -1.26 -2.55 113.62 122.27 1zts n SER 98 Ca -0.07 -3.02 -0.51 0.00 -0.26 0.00 0.00 58.87 55.02 1zts n SER 98 Cb 0.51 -1.47 -0.06 0.00 -0.26 0.00 0.00 64.21 62.92 1zts n SER 98 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1zts n LEU 99 N 4.14 2.67 -4.87 1.04 7.94 -1.26 -4.94 117.00 121.72 1zts n LEU 99 Ca 0.31 0.72 -0.37 0.00 -1.11 0.00 0.00 56.01 55.56 1zts n LEU 99 Cb 0.41 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.01 1zts n LEU 99 CO 0.55 -0.45 -0.17 0.00 -1.11 0.00 0.00 177.39 176.22 1zts s GLN 100 N 4.99 3.50 0.96 1.96 -2.07 -1.26 -4.97 119.66 122.77 1zts s GLN 100 Ca 1.01 -0.13 -0.13 0.00 -1.82 0.00 0.00 55.36 54.29 1zts s GLN 100 Cb -0.82 -3.21 0.03 0.00 -1.09 0.00 0.00 33.01 27.92 1zts s GLN 100 CO 0.53 0.74 0.34 1.63 -1.32 0.00 0.00 175.29 177.21 1zts n LYS 101 N 2.09 -0.32 -2.25 9.60 4.01 -1.26 -4.91 118.16 125.11 1zts n LYS 101 Ca -0.20 -0.06 -0.40 0.00 -0.51 0.00 0.00 58.31 57.15 1zts n LYS 101 Cb 0.55 -1.81 -0.03 0.00 -0.51 0.00 0.00 35.03 33.23 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 4.40 -1.14 1.97 0.04 -1.26 -4.91 135.00 130.54 1zts s PRO 102 Ca 0.56 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.43 1zts s PRO 102 Cb -0.21 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1zts s PRO 102 CO 0.68 -0.08 1.94 -0.25 0.04 0.00 0.00 177.00 179.32 1zts n ASP 103 N 0.81 3.48 -1.89 6.66 8.00 -1.26 -4.63 116.55 127.72 1zts n ASP 103 Ca 0.00 -2.77 0.02 0.00 0.71 0.00 0.00 54.79 52.75 1zts n ASP 103 Cb 0.43 -1.55 0.36 0.00 -0.02 0.00 0.00 41.12 40.34 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 6.53 2.83 -0.08 2.53 0.24 -1.26 -4.45 118.33 124.67 1zts n VAL 104 Ca 0.48 -1.54 -0.14 0.00 -2.04 0.00 0.00 64.34 61.10 1zts n VAL 104 Cb 0.43 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 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 3.34 0.86 0.00 6.34 3.20 -1.99 -2.94 116.97 125.79 1zts h TYR 105 Ca 0.11 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 1zts h TYR 105 Cb 2.11 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 40.20 1zts h TYR 105 CO 1.15 1.05 -0.14 0.00 -1.64 0.00 0.00 178.16 178.58 1zts h ALA 106 N 0.67 1.27 0.15 1.82 0.00 -1.98 0.24 119.26 121.42 1zts h ALA 106 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1zts h ALA 106 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1zts h ALA 106 CO 0.08 0.18 -0.07 -0.07 0.00 0.00 0.00 179.25 179.37 1zts h LEU 107 N 0.00 -0.17 -0.00 0.00 3.38 -1.82 -3.22 115.31 113.48 1zts h LEU 107 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1zts h LEU 107 Cb 0.39 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1zts h LEU 107 CO 0.02 0.34 -0.06 2.30 0.09 0.00 0.00 178.44 181.12 1zts n ILE 108 N -4.94 0.00 0.12 1.22 -5.35 -1.12 -3.65 119.36 105.63 1zts n ILE 108 Ca -0.08 -0.00 0.19 0.00 -0.27 0.00 0.00 62.75 62.59 1zts n ILE 108 Cb 0.27 -0.40 0.76 0.00 -1.74 0.00 0.00 39.64 38.53 1zts n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1zts h LYS 109 N 0.01 0.00 0.00 6.28 3.64 -0.51 0.32 116.57 126.30 1zts h LYS 109 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1zts h LYS 109 Cb 0.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1zts h LYS 109 CO 0.00 0.00 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.66 1zts h ASP 110 N 0.00 0.00 -0.77 4.20 5.19 -1.73 -2.91 116.42 120.40 1zts h ASP 110 Ca 0.17 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 56.16 1zts h ASP 110 Cb 0.92 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.02 1zts h ASP 110 CO -0.00 0.08 -0.96 -1.22 -3.12 0.00 0.00 179.24 174.02 1zts n TYR 111 N -3.54 2.12 -5.18 4.55 4.02 0.11 -5.06 117.16 114.19 1zts n TYR 111 Ca -0.02 -2.38 -0.31 0.00 -0.01 0.00 0.00 57.90 55.18 1zts n TYR 111 Cb 0.20 -0.27 -0.15 0.00 -0.02 0.00 0.00 39.34 39.10 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 -4.27 2.31 -0.84 -0.72 1.01 -1.08 -4.87 120.40 111.93 1zts s VAL 112 Ca 0.39 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1zts s VAL 112 Cb 0.38 -1.83 0.21 0.00 0.00 0.00 0.00 36.38 35.14 1zts s VAL 112 CO -0.02 0.57 0.71 -0.75 0.00 0.00 0.00 175.10 175.61 1zts s LYS 113 N -0.69 3.16 0.68 2.72 2.20 -1.26 -5.01 119.74 121.54 1zts s LYS 113 Ca 0.11 -3.07 -0.11 0.00 -0.36 0.00 0.00 55.97 52.53 1zts s LYS 113 Cb -0.10 -3.95 0.17 0.00 -1.51 0.00 0.00 37.83 32.44 1zts s LYS 113 CO -0.00 -1.24 0.60 -0.35 -0.36 0.00 0.00 175.35 174.00 1zts n PRO 114 N 2.67 -2.20 -2.72 4.03 -0.04 -1.26 -5.00 135.00 130.48 1zts n PRO 114 Ca 0.18 -0.97 -0.25 0.00 -0.04 0.00 0.00 63.50 62.42 1zts n PRO 114 Cb 0.38 -0.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 1zts n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zts n ALA 115 N -4.03 4.62 -2.47 0.55 0.00 -1.26 -5.06 120.51 112.86 1zts n ALA 115 Ca -0.11 -4.34 -0.25 0.00 0.00 0.00 0.00 53.44 48.74 1zts n ALA 115 Cb 0.32 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.42 3.62 0.49 0.00 1.11 -1.26 -5.15 116.67 112.06 1zts s ASP 116 Ca 0.46 -0.95 0.00 0.00 0.18 0.00 0.00 52.55 52.24 1zts s ASP 116 Cb 0.35 -0.33 0.00 0.00 1.07 0.00 0.00 42.92 44.02 1zts s ASP 116 CO -0.15 0.06 0.00 -0.81 1.18 0.00 0.00 175.17 175.45 1zts n PRO 117 N -0.38 0.00 -1.10 8.23 -0.04 -1.26 -4.83 135.00 135.63 1zts n PRO 117 Ca -0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.20 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 -1.48 6.08 -0.00 3.54 2.03 -1.26 -4.02 116.55 121.43 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 2.65 0.44 0.00 -2.67 -0.00 -1.26 -4.99 117.00 111.17 1zts n LEU 119 Ca 0.51 -0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 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 0.00 177.39 179.00 1zts n GLU 120 N -1.66 -0.85 0.00 1.47 4.07 -1.26 -4.92 120.64 117.50 1zts n GLU 120 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1zts n GLU 120 Cb 0.32 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.70 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1zts n GLY 121 N 0.18 -3.42 1.42 8.31 0.00 -1.26 -4.98 105.19 105.45 1zts n GLY 121 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.13 -3.91 -1.30 -0.61 5.41 -1.26 -4.70 119.36 111.86 1zts n ILE 122 Ca 0.00 1.80 -0.10 0.00 1.00 0.00 0.00 62.75 65.44 1zts n ILE 122 Cb 0.00 -2.63 -0.04 0.00 -0.71 0.00 0.00 39.64 36.25 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 -1.58 -1.37 -0.11 0.38 1.02 -1.26 -4.83 120.64 112.89 1zts n GLU 123 Ca 0.00 0.83 -0.24 0.00 -0.02 0.00 0.00 57.16 57.73 1zts n GLU 123 Cb 0.18 -5.06 -0.11 0.00 -0.02 0.00 0.00 31.44 26.43 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 1.19 1.17 0.10 0.62 0.00 -1.26 -4.25 120.51 118.08 1zts n ALA 124 Ca -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 53.44 52.38 1zts n ALA 124 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.57 0.00 0.00 0.00 3.64 -1.99 -3.27 116.57 114.38 1zts h LYS 125 Ca -0.58 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 1zts h LYS 125 Cb 1.70 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1zts h LYS 125 CO -0.23 0.58 -0.16 0.28 -2.27 0.00 0.00 179.45 177.65 1zts h VAL 126 N 0.00 0.97 0.00 2.00 2.07 -1.96 0.26 116.25 119.59 1zts h VAL 126 Ca -0.04 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 1zts h VAL 126 Cb 1.53 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1zts h VAL 126 CO 0.08 0.16 -0.41 0.03 0.02 0.00 0.00 177.57 177.44 1zts h ARG 127 N 0.00 0.00 0.00 1.57 2.47 -1.73 -0.53 114.38 116.16 1zts h ARG 127 Ca -0.00 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.50 1zts h ARG 127 Cb 0.31 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 1zts h ARG 127 CO 0.02 0.41 -1.82 -1.33 0.56 0.00 0.00 179.97 177.81 1zts n MET 128 N -3.35 0.65 0.07 0.04 2.81 -0.66 -4.13 117.12 112.55 1zts n MET 128 Ca 0.01 0.10 -0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1zts n MET 128 Cb 0.61 -1.68 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1zts n MET 128 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1zts h ARG 129 N 0.00 0.00 -0.99 0.03 2.43 -0.52 -3.31 114.38 112.02 1zts h ARG 129 Ca -0.27 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.49 1zts h ARG 129 Cb 1.75 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 31.06 1zts h ARG 129 CO 0.04 0.41 0.52 0.43 -1.51 0.00 0.00 179.97 179.86 1zts n SER 130 N -3.04 3.64 -4.89 -3.80 7.64 -0.21 -4.93 113.62 108.03 1zts n SER 130 Ca -0.05 -3.29 -0.30 0.00 1.01 0.00 0.00 58.87 56.24 1zts n SER 130 Cb 0.82 -0.77 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.66 5.17 0.00 0.44 2.07 -1.25 -4.98 121.20 119.99 1zts s ILE 131 Ca 0.46 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 59.17 1zts s ILE 131 Cb 0.39 -3.54 0.00 0.00 0.13 0.00 0.00 42.46 39.44 1zts s ILE 131 CO 0.09 0.10 0.78 0.18 -1.91 0.00 0.00 174.94 174.18 1zts n LEU 132 N 0.20 0.00 0.00 8.50 4.77 -1.26 -4.98 117.00 124.23 1zts n LEU 132 Ca -0.06 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1zts n LEU 132 Cb 0.52 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1zts n LEU 132 CO 0.50 -0.28 0.00 -0.62 -1.33 0.00 0.00 177.39 175.66 1zts n GLU 133 N -1.64 0.00 -2.83 3.23 1.02 -1.26 -5.10 120.64 114.06 1zts n GLU 133 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1zts n GLU 133 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1zts n GLU 133 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1zts s HIS 134 N -0.97 -0.28 -0.37 -0.32 3.76 -1.26 -5.02 115.29 110.82 1zts s HIS 134 Ca 0.00 0.07 0.07 0.00 -0.15 0.00 0.00 55.06 55.05 1zts s HIS 134 Cb 0.00 0.05 0.67 0.00 1.11 0.00 0.00 32.58 34.41 1zts s HIS 134 CO 0.00 -0.18 1.77 0.72 -0.85 0.00 0.00 174.74 176.19 1zts n HIS 135 N 3.96 2.47 0.00 1.40 8.25 -1.26 -4.29 115.22 125.75 1zts n HIS 135 Ca 0.06 -1.32 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1zts n HIS 135 Cb 0.63 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1zts n HIS 135 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1zts n HIS 136 N -0.39 0.00 -4.01 4.41 8.25 -1.26 -5.13 115.22 117.08 1zts n HIS 136 Ca 0.43 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.89 1zts n HIS 136 Cb 1.40 0.08 -0.00 0.00 1.12 0.00 0.00 29.99 32.59 1zts n HIS 136 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1zts n HIS 137 N -1.81 0.01 -3.78 4.41 8.25 -1.26 -5.15 115.22 115.89 1zts n HIS 137 Ca 0.00 -0.05 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 1zts n HIS 137 Cb 0.07 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.00 1zts n HIS 137 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1zts s HIS 138 N -1.28 0.81 0.00 4.41 5.65 -1.26 -4.82 115.29 118.80 1zts s HIS 138 Ca 0.00 -0.31 0.00 0.00 0.25 0.00 0.00 55.06 55.00 1zts s HIS 138 Cb 0.00 -0.88 0.00 0.00 -1.18 0.00 0.00 32.58 30.52 1zts s HIS 138 CO 0.00 -0.38 0.00 1.58 -0.65 0.00 0.00 174.74 175.29