#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts s LEU 2 N 0.00 4.14 -0.12 4.03 1.98 -1.26 -4.87 118.68 122.58 1zts s LEU 2 Ca 0.00 0.04 0.15 0.00 -2.89 0.00 0.00 54.13 51.43 1zts s LEU 2 Cb 0.00 -2.89 0.28 0.00 0.66 0.00 0.00 46.19 44.24 1zts s LEU 2 CO 0.00 -0.25 1.14 0.18 -1.89 0.00 0.00 176.35 175.54 1zts n LEU 3 N -1.56 1.97 -4.98 -0.68 4.32 -1.26 -5.06 117.00 109.75 1zts n LEU 3 Ca -0.05 -2.87 -0.21 0.00 -0.02 0.00 0.00 56.01 52.86 1zts n LEU 3 Cb 0.57 -0.36 0.05 0.00 -1.62 0.00 0.00 43.42 42.07 1zts n LEU 3 CO 0.45 0.78 0.39 0.27 -1.22 0.00 0.00 177.39 178.06 1zts s ILE 4 N -2.32 2.55 -0.03 -0.08 -4.36 -1.26 -5.11 121.20 110.60 1zts s ILE 4 Ca 0.28 -0.68 0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1zts s ILE 4 Cb 0.26 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 1zts s ILE 4 CO -0.01 0.00 -0.05 0.28 0.24 0.00 0.00 174.94 175.40 1zts s THR 5 N -2.82 3.84 -0.81 8.37 -1.32 -1.26 -5.00 115.64 116.65 1zts s THR 5 Ca 0.59 -0.60 0.18 0.00 -1.21 0.00 0.00 61.69 60.64 1zts s THR 5 Cb -0.09 -2.65 0.17 0.00 -1.51 0.00 0.00 72.50 68.42 1zts s THR 5 CO 0.39 0.47 1.55 -0.81 -2.21 0.00 0.00 174.62 174.01 1zts n PRO 6 N 1.76 0.07 0.07 7.08 -0.04 -1.26 -2.46 135.00 140.22 1zts n PRO 6 Ca -0.16 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1zts n PRO 6 Cb 0.53 -1.64 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.05 0.51 3.54 -0.00 -1.94 -3.25 116.42 115.33 1zts h ASP 7 Ca 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 57.03 56.85 1zts h ASP 7 Cb 0.29 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.58 1zts h ASP 7 CO 0.00 0.99 -0.60 -0.33 -0.00 0.00 0.00 179.24 179.31 1zts h GLU 8 N 0.01 0.09 -0.37 0.28 4.39 -1.91 -2.74 114.58 114.34 1zts h GLU 8 Ca -0.02 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1zts h GLU 8 Cb 1.71 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.33 1zts h GLU 8 CO 0.13 0.66 0.16 1.25 -1.16 0.00 0.00 179.01 180.05 1zts h LEU 9 N 0.07 0.22 -0.47 1.33 5.85 -1.63 0.26 115.31 120.93 1zts h LEU 9 Ca -0.01 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1zts h LEU 9 Cb 1.07 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1zts h LEU 9 CO 0.08 0.16 -0.54 0.11 -0.34 0.00 0.00 178.44 177.92 1zts h LYS 10 N 0.34 0.64 -0.50 1.25 1.57 -1.66 0.26 116.57 118.47 1zts h LYS 10 Ca 0.16 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1zts h LYS 10 Cb 0.10 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1zts h LYS 10 CO -0.13 1.02 0.17 1.03 -0.57 0.00 0.00 179.45 180.96 1zts h SER 11 N 0.50 0.67 0.02 0.86 0.87 -1.13 -3.21 113.55 112.13 1zts h SER 11 Ca 0.01 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.31 1zts h SER 11 Cb 1.10 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1zts h SER 11 CO 0.11 0.63 -0.91 0.22 -0.53 0.00 0.00 176.83 176.35 1zts h TYR 12 N 0.72 0.06 -4.26 2.24 3.20 -0.87 -3.47 116.97 114.59 1zts h TYR 12 Ca 0.17 -0.05 -0.51 0.00 3.14 0.00 0.00 58.73 61.48 1zts h TYR 12 Cb 0.20 -0.00 0.13 0.00 1.54 0.00 0.00 36.73 38.60 1zts h TYR 12 CO 0.01 1.35 0.30 0.45 -1.64 0.00 0.00 178.16 178.64 1zts s SER 13 N -6.69 4.29 -0.01 -2.11 0.15 0.90 -4.99 113.70 105.25 1zts s SER 13 Ca -0.25 1.74 0.04 0.00 0.70 0.00 0.00 55.95 58.18 1zts s SER 13 Cb 0.03 -2.44 -0.06 0.00 -1.71 0.00 0.00 66.02 61.85 1zts s SER 13 CO 0.65 -2.16 0.07 1.33 1.20 0.00 0.00 173.24 174.33 1zts n VAL 14 N -3.59 0.03 -1.65 4.45 0.24 -1.26 -4.76 118.33 111.79 1zts n VAL 14 Ca 0.09 -0.10 -0.50 0.00 -2.04 0.00 0.00 64.34 61.79 1zts n VAL 14 Cb 0.54 0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.70 1.99 0.21 6.34 3.72 -1.26 -4.85 117.46 121.91 1zts n PHE 15 Ca -0.01 0.39 0.08 0.00 -0.05 0.00 0.00 57.45 57.85 1zts n PHE 15 Cb 0.17 -2.48 0.47 0.00 -0.94 0.00 0.00 39.48 36.71 1zts n PHE 15 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1zts h GLU 16 N 6.14 0.00 -0.64 -1.08 4.81 -1.98 -2.82 114.58 119.01 1zts h GLU 16 Ca -0.47 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 1zts h GLU 16 Cb 1.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1zts h GLU 16 CO 0.87 0.28 0.10 0.77 -0.73 0.00 0.00 179.01 180.30 1zts h SER 17 N 0.00 0.99 0.49 1.04 0.02 -1.96 0.25 113.55 114.38 1zts h SER 17 Ca -0.00 -0.23 -0.18 0.00 -0.84 0.00 0.00 61.79 60.54 1zts h SER 17 Cb 0.67 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1zts h SER 17 CO 0.04 0.99 -0.80 0.58 -1.14 0.00 0.00 176.83 176.50 1zts h VAL 18 N 0.98 1.45 0.00 2.27 2.07 -1.80 -2.88 116.25 118.34 1zts h VAL 18 Ca 0.20 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.23 1zts h VAL 18 Cb 0.42 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1zts h VAL 18 CO 0.01 0.71 -0.38 0.11 0.02 0.00 0.00 177.57 178.04 1zts h LYS 19 N 0.14 0.00 0.00 1.57 1.57 -1.26 -3.22 116.57 115.37 1zts h LYS 19 Ca -0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1zts h LYS 19 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 1zts h LYS 19 CO 0.12 0.38 -0.75 1.79 -0.57 0.00 0.00 179.45 180.42 1zts h THR 20 N 0.00 1.39 -4.24 -0.16 1.35 -0.46 -3.46 112.91 107.34 1zts h THR 20 Ca -0.00 -2.70 -0.52 0.00 -0.55 0.00 0.00 66.41 62.64 1zts h THR 20 Cb 1.28 2.51 0.14 0.00 -1.73 0.00 0.00 68.15 70.36 1zts h THR 20 CO 0.05 0.73 0.33 -0.13 -0.25 0.00 0.00 175.52 176.25 1zts s ARG 21 N -3.05 2.08 0.01 4.72 0.52 -1.09 -5.04 118.95 117.11 1zts s ARG 21 Ca 0.01 1.45 -0.00 0.00 -0.52 0.00 0.00 55.73 56.67 1zts s ARG 21 Cb 0.10 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1zts s ARG 21 CO 0.78 -1.81 0.01 -0.35 0.02 0.00 0.00 175.30 173.94 1zts n PRO 22 N -3.22 -1.04 -0.03 3.54 -0.04 -1.26 -4.97 135.00 127.98 1zts n PRO 22 Ca 0.11 -0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1zts n PRO 22 Cb 0.52 -0.01 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.36 -0.01 3.54 10.43 -1.26 -3.87 116.55 122.72 1zts n ASP 23 Ca 0.00 0.16 -0.13 0.00 2.57 0.00 0.00 54.79 57.39 1zts n ASP 23 Cb 0.01 0.83 -0.10 0.00 1.84 0.00 0.00 41.12 43.69 1zts n ASP 23 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1zts h GLU 24 N 0.00 -0.05 -0.68 -1.24 4.81 -2.01 -3.16 114.58 112.25 1zts h GLU 24 Ca -0.29 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1zts h GLU 24 Cb 1.77 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.11 1zts h GLU 24 CO 0.03 0.55 0.40 -0.07 -0.73 0.00 0.00 179.01 179.20 1zts h LEU 25 N -0.71 0.63 -0.70 1.64 3.38 -1.97 -2.21 115.31 115.37 1zts h LEU 25 Ca -0.01 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1zts h LEU 25 Cb 0.62 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1zts h LEU 25 CO 0.01 0.42 0.25 -0.07 0.09 0.00 0.00 178.44 179.14 1zts h LEU 26 N 0.76 0.20 -0.51 1.67 3.38 -1.67 -0.79 115.31 118.35 1zts h LEU 26 Ca 0.29 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.45 1zts h LEU 26 Cb 0.12 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1zts h LEU 26 CO -0.15 0.08 0.14 0.11 0.09 0.00 0.00 178.44 178.71 1zts h LYS 27 N 0.39 0.29 -0.80 1.13 1.57 -1.36 -0.32 116.57 117.47 1zts h LYS 27 Ca 0.38 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1zts h LYS 27 Cb 0.56 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1zts h LYS 27 CO -0.40 0.19 0.33 1.96 -0.57 0.00 0.00 179.45 180.96 1zts h GLN 28 N 0.30 1.19 -0.78 3.15 4.20 -1.11 -2.61 115.11 119.45 1zts h GLN 28 Ca 0.25 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1zts h GLN 28 Cb 0.31 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1zts h GLN 28 CO -0.29 0.96 0.34 0.22 -0.67 0.00 0.00 178.83 179.38 1zts h ASP 29 N 1.17 1.04 -0.42 1.46 3.58 -0.21 -2.40 116.42 120.64 1zts h ASP 29 Ca 0.27 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1zts h ASP 29 Cb 0.20 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1zts h ASP 29 CO -0.02 0.91 0.20 0.40 -2.88 0.00 0.00 179.24 177.85 1zts h ILE 30 N 1.12 1.17 0.00 2.25 2.04 -0.73 -1.57 117.51 121.79 1zts h ILE 30 Ca 0.26 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1zts h ILE 30 Cb 0.17 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1zts h ILE 30 CO -0.03 0.20 -0.35 -0.07 0.00 0.00 0.00 178.15 177.90 1zts h LEU 31 N 0.65 0.00 0.00 1.44 3.38 -1.18 -2.44 115.31 117.17 1zts h LEU 31 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1zts h LEU 31 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1zts h LEU 31 CO -0.02 0.35 -0.48 -0.08 0.09 0.00 0.00 178.44 178.30 1zts h GLU 32 N 0.00 0.00 0.00 1.13 4.57 -1.10 -3.31 114.58 115.87 1zts h GLU 32 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1zts h GLU 32 Cb 0.68 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1zts h GLU 32 CO 0.05 0.46 -0.63 0.00 -1.18 0.00 0.00 179.01 177.71 1zts h ALA 33 N 1.53 0.08 -0.18 2.92 0.00 -0.97 -3.19 119.26 119.44 1zts h ALA 33 Ca -0.01 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1zts h ALA 33 Cb 1.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1zts h ALA 33 CO 0.06 0.37 0.28 0.00 0.00 0.00 0.00 179.25 179.97 1zts h THR 34 N -0.08 0.29 0.00 0.00 1.03 -1.54 0.11 112.91 112.72 1zts h THR 34 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.29 1zts h THR 34 Cb 1.34 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 69.18 1zts h THR 34 CO 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 175.52 175.50 1zts h ALA 35 N 1.61 1.66 0.09 0.00 0.00 -1.65 -1.22 119.26 119.74 1zts h ALA 35 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zts h ALA 35 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1zts h ALA 35 CO -0.00 0.17 -0.04 0.22 0.00 0.00 0.00 179.25 179.60 1zts h ASP 36 N 0.00 -0.10 -0.36 0.00 3.58 -0.94 -2.45 116.42 116.15 1zts h ASP 36 Ca -0.00 -0.48 0.03 0.00 0.42 0.00 0.00 57.03 56.99 1zts h ASP 36 Cb 0.26 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1zts h ASP 36 CO 0.02 0.54 0.24 0.40 -2.88 0.00 0.00 179.24 177.56 1zts h ILE 37 N -0.87 1.03 -0.10 2.25 2.04 -1.56 -1.51 117.51 118.79 1zts h ILE 37 Ca -0.01 -0.13 -0.17 0.00 1.00 0.00 0.00 64.86 65.55 1zts h ILE 37 Cb 0.58 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1zts h ILE 37 CO 0.02 0.07 -0.66 0.40 0.00 0.00 0.00 178.15 177.99 1zts h ILE 38 N 0.39 1.36 0.00 -0.67 2.04 -1.28 -2.95 117.51 116.40 1zts h ILE 38 Ca 0.14 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 63.97 1zts h ILE 38 Cb 0.10 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1zts h ILE 38 CO -0.03 0.61 -0.10 -0.07 0.00 0.00 0.00 178.15 178.56 1zts h LEU 39 N 0.29 0.00 -0.00 1.44 3.38 -0.77 0.24 115.31 119.89 1zts h LEU 39 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1zts h LEU 39 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1zts h LEU 39 CO 0.11 0.10 -0.28 0.11 0.09 0.00 0.00 178.44 178.58 1zts h LYS 40 N 0.00 0.20 0.00 1.13 1.57 -1.30 -3.29 116.57 114.87 1zts h LYS 40 Ca -0.00 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1zts h LYS 40 Cb 0.44 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1zts h LYS 40 CO 0.01 0.93 -0.36 -0.39 -0.57 0.00 0.00 179.45 179.07 1zts h VAL 41 N -0.46 0.63 0.00 0.50 -1.51 -1.46 -3.46 116.25 110.49 1zts h VAL 41 Ca -0.03 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 1zts h VAL 41 Cb 1.02 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 1zts h VAL 41 CO 0.05 0.36 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 1zts n GLY 42 N 1.17 0.55 3.62 5.19 0.00 0.80 -4.16 105.19 112.36 1zts n GLY 42 Ca 0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 -0.20 0.06 1.61 -3.43 -0.93 -5.03 115.29 105.37 1zts s HIS 43 Ca 0.00 0.39 -0.06 0.00 -0.80 0.00 0.00 55.06 54.60 1zts s HIS 43 Cb 0.00 0.46 -0.05 0.00 -1.43 0.00 0.00 32.58 31.56 1zts s HIS 43 CO 0.00 -0.15 0.30 0.16 -2.00 0.00 0.00 174.74 173.06 1zts s ASP 44 N -0.64 6.49 -1.17 7.38 1.47 -1.26 -4.67 116.67 124.27 1zts s ASP 44 Ca 0.05 0.56 -0.18 0.00 1.18 0.00 0.00 52.55 54.15 1zts s ASP 44 Cb -0.02 -2.08 -0.04 0.00 -0.34 0.00 0.00 42.92 40.44 1zts s ASP 44 CO -0.07 0.18 2.01 0.49 0.68 0.00 0.00 175.17 178.46 1zts n PHE 45 N 0.72 3.09 -0.07 2.11 3.01 -1.26 -4.63 117.46 120.43 1zts n PHE 45 Ca -0.08 -2.38 -0.15 0.00 1.01 0.00 0.00 57.45 55.85 1zts n PHE 45 Cb 0.52 -2.31 -0.13 0.00 -0.01 0.00 0.00 39.48 37.56 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1zts h SER 46 N 7.35 0.00 -1.23 4.37 0.87 -1.93 -3.40 113.55 119.59 1zts h SER 46 Ca 0.46 -0.96 -0.67 0.00 -1.23 0.00 0.00 61.79 59.39 1zts h SER 46 Cb 0.73 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1zts h SER 46 CO 1.76 1.04 1.38 0.47 -0.53 0.00 0.00 176.83 180.94 1zts n ASP 47 N -4.59 2.29 0.31 6.23 8.00 -1.26 -4.78 116.55 122.75 1zts n ASP 47 Ca -0.12 0.47 0.19 0.00 0.71 0.00 0.00 54.79 56.04 1zts n ASP 47 Cb 0.50 -1.28 1.02 0.00 -0.02 0.00 0.00 41.12 41.34 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zts h ALA 48 N 12.09 1.29 -0.44 2.24 0.00 -2.01 0.17 119.26 132.60 1zts h ALA 48 Ca -0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1zts h ALA 48 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1zts h ALA 48 CO 1.01 -0.14 0.05 -0.85 0.00 0.00 0.00 179.25 179.32 1zts n GLU 49 N -3.26 3.57 -2.74 0.00 0.28 -1.26 -4.25 120.64 112.99 1zts n GLU 49 Ca -0.02 -2.23 -0.09 0.00 -0.16 0.00 0.00 57.16 54.67 1zts n GLU 49 Cb 0.19 -2.03 0.09 0.00 1.43 0.00 0.00 31.44 31.13 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 0.32 -2.18 -3.25 -1.84 9.36 0.58 -5.02 117.16 115.13 1zts n TYR 50 Ca 0.22 -2.18 -0.26 0.00 3.32 0.00 0.00 57.90 59.00 1zts n TYR 50 Cb 0.97 1.34 -0.07 0.00 -0.63 0.00 0.00 39.34 40.96 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 -0.16 2.15 -2.24 2.97 5.41 -1.24 -4.75 119.36 121.50 1zts n ILE 51 Ca 0.03 -5.18 -0.41 0.00 1.00 0.00 0.00 62.75 58.19 1zts n ILE 51 Cb 0.78 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.89 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 -2.64 4.43 -0.53 0.38 0.04 -1.26 -4.99 135.00 130.43 1zts s PRO 52 Ca 0.42 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.58 1zts s PRO 52 Cb 0.20 -3.16 0.29 0.00 0.04 0.00 0.00 34.50 31.87 1zts s PRO 52 CO -0.06 -0.14 0.75 1.28 0.04 0.00 0.00 177.00 178.86 1zts n LEU 53 N 1.83 2.73 -4.66 -3.56 4.32 -1.26 -4.94 117.00 111.46 1zts n LEU 53 Ca 0.03 -5.28 -0.29 0.00 -0.02 0.00 0.00 56.01 50.46 1zts n LEU 53 Cb 0.43 -0.15 0.19 0.00 -1.62 0.00 0.00 43.42 42.27 1zts n LEU 53 CO 0.57 2.17 0.64 -2.16 -1.22 0.00 0.00 177.39 177.39 1zts s PRO 54 N -2.44 0.17 0.59 3.23 0.04 -1.26 -4.54 135.00 130.79 1zts s PRO 54 Ca 0.41 0.43 0.28 0.00 0.04 0.00 0.00 61.00 62.17 1zts s PRO 54 Cb 0.22 -1.71 1.68 0.00 0.04 0.00 0.00 34.50 34.72 1zts s PRO 54 CO -0.08 -2.89 2.14 1.49 0.04 0.00 0.00 177.00 177.71 1zts h GLU 55 N -2.00 0.00 -0.00 4.56 4.57 -1.99 0.11 114.58 119.83 1zts h GLU 55 Ca -0.54 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1zts h GLU 55 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1zts h GLU 55 CO 0.56 0.00 -0.00 1.79 -1.18 0.00 0.00 179.01 180.18 1zts h THR 56 N 0.00 1.61 0.28 0.32 1.35 -1.90 -2.79 112.91 111.77 1zts h THR 56 Ca 0.07 -1.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.12 1zts h THR 56 Cb 0.37 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1zts h THR 56 CO -0.00 0.46 -0.13 0.58 -0.25 0.00 0.00 175.52 176.18 1zts h VAL 57 N -0.76 0.71 -0.99 6.82 2.07 -1.67 -0.73 116.25 121.70 1zts h VAL 57 Ca -0.00 -0.71 0.21 0.00 0.82 0.00 0.00 66.70 67.02 1zts h VAL 57 Cb 0.76 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 31.50 1zts h VAL 57 CO 0.00 0.13 0.62 0.03 0.02 0.00 0.00 177.57 178.38 1zts h ARG 58 N -0.78 0.56 -0.04 1.57 3.08 -0.96 -0.53 114.38 117.28 1zts h ARG 58 Ca -0.04 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1zts h ARG 58 Cb 0.51 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1zts h ARG 58 CO 0.06 0.37 -0.18 1.25 -1.07 0.00 0.00 179.97 180.40 1zts h LEU 59 N 0.58 0.23 -0.71 3.04 5.85 -1.45 -2.30 115.31 120.56 1zts h LEU 59 Ca 0.56 -0.65 0.12 0.00 0.84 0.00 0.00 57.88 58.75 1zts h LEU 59 Cb 1.13 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1zts h LEU 59 CO -0.32 0.85 0.31 0.00 -0.34 0.00 0.00 178.44 178.94 1zts h ALA 60 N 0.39 0.99 -0.46 1.25 0.00 0.14 0.65 119.26 122.22 1zts h ALA 60 Ca -0.01 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1zts h ALA 60 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1zts h ALA 60 CO 0.04 -0.15 -0.25 1.25 0.00 0.00 0.00 179.25 180.14 1zts h LEU 61 N 0.49 1.02 -0.91 0.00 7.12 -1.20 -1.23 115.31 120.59 1zts h LEU 61 Ca 0.37 -0.41 -0.03 0.00 0.13 0.00 0.00 57.88 57.95 1zts h LEU 61 Cb 0.49 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 1zts h LEU 61 CO -0.34 1.21 0.43 -0.07 -0.13 0.00 0.00 178.44 179.53 1zts h LEU 62 N 0.83 1.09 -0.27 2.25 3.38 -0.65 0.25 115.31 122.18 1zts h LEU 62 Ca 0.10 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1zts h LEU 62 Cb 0.84 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1zts h LEU 62 CO 0.07 0.90 -0.72 0.11 0.09 0.00 0.00 178.44 178.89 1zts h LYS 63 N 1.20 0.69 -0.37 1.13 1.79 -0.82 -3.13 116.57 117.06 1zts h LYS 63 Ca 0.29 -0.53 -0.16 0.00 -2.18 0.00 0.00 60.65 58.07 1zts h LYS 63 Cb 0.08 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1zts h LYS 63 CO -0.04 1.15 -0.39 -0.07 -1.08 0.00 0.00 179.45 179.02 1zts h LEU 64 N 0.48 0.99 -1.61 2.94 3.38 -0.90 -2.72 115.31 117.87 1zts h LEU 64 Ca -0.03 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.55 1zts h LEU 64 Cb 1.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1zts h LEU 64 CO 0.14 1.26 0.39 0.77 0.09 0.00 0.00 178.44 181.09 1zts h SER 65 N 0.73 0.41 -0.06 -0.43 4.64 -0.53 -1.77 113.55 116.55 1zts h SER 65 Ca 0.06 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 1zts h SER 65 Cb 0.99 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1zts h SER 65 CO 0.10 0.25 -0.69 -0.61 -0.87 0.00 0.00 176.83 175.01 1zts h GLN 66 N 0.46 0.56 -0.21 4.77 4.15 -1.47 -1.22 115.11 122.15 1zts h GLN 66 Ca 0.26 -0.53 0.05 0.00 0.77 0.00 0.00 58.65 59.19 1zts h GLN 66 Cb 0.43 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1zts h GLN 66 CO -0.07 1.16 -0.08 0.35 -1.93 0.00 0.00 178.83 178.26 1zts h PHE 67 N 0.16 -0.17 -0.05 3.99 3.57 -1.03 0.24 116.94 123.65 1zts h PHE 67 Ca -0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1zts h PHE 67 Cb 1.36 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 1zts h PHE 67 CO 0.12 -0.12 -0.08 1.88 -2.23 0.00 0.00 178.31 177.87 1zts h TYR 68 N -0.04 0.19 -0.22 0.41 -1.99 -1.48 -2.95 116.97 110.89 1zts h TYR 68 Ca 0.11 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.84 1zts h TYR 68 Cb 0.20 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1zts h TYR 68 CO -0.25 0.65 0.21 0.00 -0.00 0.00 0.00 178.16 178.77 1zts h ALA 69 N 0.51 1.96 -0.07 3.88 0.00 -1.03 0.38 119.26 124.89 1zts h ALA 69 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1zts h ALA 69 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1zts h ALA 69 CO 0.02 -0.32 -0.20 1.25 0.00 0.00 0.00 179.25 180.00 1zts h LEU 70 N 0.00 0.29 -3.06 0.00 5.85 -0.41 -3.19 115.31 114.80 1zts h LEU 70 Ca 0.10 -0.61 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 1zts h LEU 70 Cb 0.51 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1zts h LEU 70 CO -0.00 0.85 0.14 2.30 -0.34 0.00 0.00 178.44 181.39 1zts n ILE 71 N -4.54 2.21 -0.05 4.05 -5.35 -0.68 -3.10 119.36 111.89 1zts n ILE 71 Ca -0.08 -1.14 -0.03 0.00 -0.27 0.00 0.00 62.75 61.23 1zts n ILE 71 Cb 0.43 -0.42 -0.12 0.00 -1.74 0.00 0.00 39.64 37.78 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 0.12 1.24 0.00 7.28 4.13 0.04 -4.67 115.26 123.39 1zts n ASN 72 Ca 0.27 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1zts n ASN 72 Cb 1.07 1.14 0.00 0.00 -1.54 0.00 0.00 39.78 40.46 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 1.91 0.00 3.66 7.41 0.00 -1.24 -5.03 105.19 111.90 1zts n GLY 73 Ca -0.18 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.48 2.68 -1.83 1.61 2.03 -1.18 -4.85 116.55 113.54 1zts n ASP 74 Ca 0.00 1.06 -0.09 0.00 0.52 0.00 0.00 54.79 56.28 1zts n ASP 74 Cb 0.00 -1.29 0.21 0.00 -0.72 0.00 0.00 41.12 39.32 1zts n ASP 74 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zts n GLU 75 N 4.48 2.82 -1.03 -0.67 4.07 -1.26 -4.09 120.64 124.97 1zts n GLU 75 Ca 0.21 -2.43 0.05 0.00 -0.06 0.00 0.00 57.16 54.93 1zts n GLU 75 Cb 0.23 -2.00 0.12 0.00 -0.06 0.00 0.00 31.44 29.73 1zts n GLU 75 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1zts n SER 76 N -0.29 1.44 -3.91 4.31 3.41 -1.26 -5.04 113.62 112.28 1zts n SER 76 Ca 0.37 -3.07 -0.16 0.00 -0.26 0.00 0.00 58.87 55.76 1zts n SER 76 Cb 1.27 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 64.64 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zts s ILE 77 N -1.87 0.33 -0.07 -1.33 1.01 -1.26 -1.21 121.20 116.80 1zts s ILE 77 Ca 0.36 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1zts s ILE 77 Cb 0.38 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.53 1zts s ILE 77 CO -0.11 0.12 -0.18 -0.63 0.00 0.00 0.00 174.94 174.14 1zts s ILE 78 N 0.27 1.55 -0.57 2.92 1.09 -1.20 -5.01 121.20 120.24 1zts s ILE 78 Ca -0.03 -0.73 0.04 0.00 -1.10 0.00 0.00 60.65 58.83 1zts s ILE 78 Cb -0.06 -1.36 0.15 0.00 -1.06 0.00 0.00 42.46 40.13 1zts s ILE 78 CO -0.00 0.45 0.36 -0.54 -0.10 0.00 0.00 174.94 175.10 1zts s LYS 79 N 0.42 1.94 -0.36 2.79 3.01 -1.26 -4.00 119.74 122.27 1zts s LYS 79 Ca -0.14 -2.76 -0.14 0.00 -1.01 0.00 0.00 55.97 51.92 1zts s LYS 79 Cb -0.16 -2.99 0.02 0.00 -1.01 0.00 0.00 37.83 33.69 1zts s LYS 79 CO 0.05 -1.22 0.39 0.41 0.51 0.00 0.00 175.35 175.50 1zts n GLY 80 N 2.70 -1.75 1.39 -3.33 0.00 -1.26 -4.79 105.19 98.15 1zts n GLY 80 Ca 0.14 0.92 0.18 0.00 0.00 0.00 0.00 46.02 47.25 1zts n GLY 80 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1zts n TYR 81 N 0.14 -3.64 -2.77 1.61 9.36 -1.26 -4.72 117.16 115.88 1zts n TYR 81 Ca 0.04 1.92 -0.42 0.00 3.32 0.00 0.00 57.90 62.76 1zts n TYR 81 Cb 0.38 -3.31 -0.03 0.00 -0.63 0.00 0.00 39.34 35.75 1zts n TYR 81 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1zts s THR 82 N -3.33 4.83 0.24 2.97 -1.32 -1.26 -5.01 115.64 112.76 1zts s THR 82 Ca 0.00 1.88 -0.21 0.00 -1.21 0.00 0.00 61.69 62.15 1zts s THR 82 Cb 0.00 -4.24 0.05 0.00 -1.51 0.00 0.00 72.50 66.80 1zts s THR 82 CO 0.00 0.02 0.88 0.42 -2.21 0.00 0.00 174.62 173.73 1zts s THR 83 N 2.01 0.00 0.07 5.08 -4.23 -1.26 -5.15 115.64 112.15 1zts s THR 83 Ca 0.44 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1zts s THR 83 Cb -0.18 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.30 1zts s THR 83 CO 0.16 0.00 0.04 -0.62 -0.54 0.00 0.00 174.62 173.66 1zts n GLU 84 N -0.53 -2.02 -3.58 3.99 1.02 -1.26 -4.94 120.64 113.32 1zts n GLU 84 Ca -0.05 -0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.63 1zts n GLU 84 Cb 0.60 -0.09 -0.06 0.00 -0.02 0.00 0.00 31.44 31.87 1zts n GLU 84 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1zts s LYS 85 N -3.10 3.23 0.06 3.49 -0.14 -1.26 -4.86 119.74 117.16 1zts s LYS 85 Ca 0.03 -2.91 0.27 0.00 -1.36 0.00 0.00 55.97 51.99 1zts s LYS 85 Cb -0.01 -4.04 1.06 0.00 -1.68 0.00 0.00 37.83 33.17 1zts s LYS 85 CO 0.03 -1.24 1.84 -0.89 -0.76 0.00 0.00 175.35 174.32 1zts n ILE 86 N 2.99 0.28 -2.20 2.17 -0.00 -1.26 -4.91 119.36 116.43 1zts n ILE 86 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 1zts n ILE 86 Cb 0.39 -0.60 0.00 0.00 -0.00 0.00 0.00 39.64 39.43 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 1.24 0.80 0.04 7.39 0.00 -1.26 -5.06 105.19 108.34 1zts n GLY 87 Ca 0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.57 -1.88 -1.51 1.61 4.64 -1.26 -4.95 116.55 114.76 1zts n ASP 88 Ca 0.00 -0.08 -0.13 0.00 -1.38 0.00 0.00 54.79 53.20 1zts n ASP 88 Cb 0.47 -0.01 0.11 0.00 -1.04 0.00 0.00 41.12 40.65 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1zts n TYR 89 N -2.96 1.75 -3.40 -0.67 4.01 -1.26 -4.83 117.16 109.79 1zts n TYR 89 Ca 0.00 -1.98 -0.27 0.00 -0.16 0.00 0.00 57.90 55.49 1zts n TYR 89 Cb 0.01 -0.44 -0.10 0.00 -0.31 0.00 0.00 39.34 38.50 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1zts n SER 90 N -0.92 -0.00 -4.00 7.72 7.64 -1.26 -5.03 113.62 117.77 1zts n SER 90 Ca 0.37 -2.52 -0.41 0.00 1.01 0.00 0.00 58.87 57.33 1zts n SER 90 Cb 0.88 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1zts n TYR 91 N 2.49 3.17 -2.41 1.43 4.01 -1.26 -4.51 117.16 120.08 1zts n TYR 91 Ca 0.28 -3.16 -0.41 0.00 -0.16 0.00 0.00 57.90 54.45 1zts n TYR 91 Cb 0.48 -1.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.23 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 -2.36 3.72 1.28 -0.72 2.01 -1.26 -4.00 115.64 114.32 1zts s THR 92 Ca 0.32 0.54 -0.19 0.00 0.31 0.00 0.00 61.69 62.66 1zts s THR 92 Cb 0.02 -4.55 0.30 0.00 0.01 0.00 0.00 72.50 68.28 1zts s THR 92 CO 0.04 -1.37 0.68 0.18 -0.69 0.00 0.00 174.62 173.45 1zts n LEU 93 N 9.87 -0.91 0.26 4.42 4.77 -1.14 -3.24 117.00 131.03 1zts n LEU 93 Ca 0.10 -0.61 0.14 0.00 -0.03 0.00 0.00 56.01 55.62 1zts n LEU 93 Cb 0.49 -0.95 0.69 0.00 -2.33 0.00 0.00 43.42 41.32 1zts n LEU 93 CO 0.71 -3.98 0.95 1.23 -1.33 0.00 0.00 177.39 174.97 1zts h GLY 94 N -3.18 0.00 -3.38 -0.72 0.00 -1.52 -2.47 103.07 91.80 1zts h GLY 94 Ca -0.38 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.70 1zts h GLY 94 CO 0.25 0.00 0.31 1.22 0.00 0.00 0.00 176.54 178.32 1zts n ASP 95 N -3.33 4.11 -2.22 0.19 10.43 -1.26 -4.88 116.55 119.59 1zts n ASP 95 Ca -0.01 -3.07 -0.13 0.00 2.57 0.00 0.00 54.79 54.16 1zts n ASP 95 Cb 0.30 -0.72 -0.02 0.00 1.84 0.00 0.00 41.12 42.52 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1zts n GLY 96 N -0.27 -0.15 3.90 0.44 0.00 -0.93 -4.93 105.19 103.24 1zts n GLY 96 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 6.41 -1.09 1.61 0.15 -1.26 -4.88 113.70 112.59 1zts s SER 97 Ca 0.00 0.91 -0.05 0.00 0.70 0.00 0.00 55.95 57.51 1zts s SER 97 Cb 0.00 -2.23 0.30 0.00 -1.71 0.00 0.00 66.02 62.38 1zts s SER 97 CO 0.00 -0.39 1.42 -1.54 1.20 0.00 0.00 173.24 173.94 1zts n SER 98 N -1.50 6.22 -4.56 5.45 3.41 -1.26 -2.88 113.62 118.50 1zts n SER 98 Ca 0.00 -3.33 -0.26 0.00 -0.26 0.00 0.00 58.87 55.02 1zts n SER 98 Cb 0.54 -1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.15 1zts n SER 98 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1zts s LEU 99 N -2.42 3.15 0.20 1.04 2.96 -1.26 -4.93 118.68 117.42 1zts s LEU 99 Ca 0.31 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.59 1zts s LEU 99 Cb 0.02 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1zts s LEU 99 CO 0.07 -3.23 0.44 -1.58 -1.32 0.00 0.00 176.35 170.72 1zts s GLN 100 N 8.28 3.61 0.92 1.98 2.00 -1.26 -4.80 119.66 130.39 1zts s GLN 100 Ca 0.90 -0.11 -0.12 0.00 -2.00 0.00 0.00 55.36 54.03 1zts s GLN 100 Cb -0.14 -2.78 0.07 0.00 0.80 0.00 0.00 33.01 30.96 1zts s GLN 100 CO 0.15 0.38 0.66 1.63 -0.50 0.00 0.00 175.29 177.61 1zts n LYS 101 N -0.37 -0.29 -2.26 1.67 5.02 -1.26 -4.93 118.16 115.74 1zts n LYS 101 Ca -0.03 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 1zts n LYS 101 Cb 0.53 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zts s PRO 102 N -3.89 3.99 -1.31 1.97 0.04 -1.26 -4.92 135.00 129.61 1zts s PRO 102 Ca 0.61 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 1zts s PRO 102 Cb -0.23 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1zts s PRO 102 CO 0.64 -0.38 2.01 -0.25 0.04 0.00 0.00 177.00 179.05 1zts n ASP 103 N -0.03 4.05 -1.68 6.66 9.92 -1.26 -4.66 116.55 129.55 1zts n ASP 103 Ca 0.05 -2.84 0.03 0.00 -0.53 0.00 0.00 54.79 51.49 1zts n ASP 103 Cb 0.46 -1.64 0.31 0.00 -0.64 0.00 0.00 41.12 39.61 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1zts n VAL 104 N 5.84 2.31 0.00 2.53 0.24 -1.26 -4.32 118.33 123.67 1zts n VAL 104 Ca 0.50 -1.19 -0.09 0.00 -2.04 0.00 0.00 64.34 61.52 1zts n VAL 104 Cb 0.42 -0.35 0.06 0.00 -1.47 0.00 0.00 33.84 32.50 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 2.96 0.70 -0.01 6.34 3.20 -1.98 -3.02 116.97 125.16 1zts h TYR 105 Ca 0.06 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.58 1zts h TYR 105 Cb 1.80 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.93 1zts h TYR 105 CO 0.94 0.97 -0.51 0.00 -1.64 0.00 0.00 178.16 177.93 1zts h ALA 106 N 0.98 1.15 -0.16 1.82 0.00 -1.98 0.25 119.26 121.32 1zts h ALA 106 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1zts h ALA 106 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1zts h ALA 106 CO 0.10 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.97 1zts h LEU 107 N 0.01 0.23 -1.98 0.00 3.38 -1.82 -2.91 115.31 112.23 1zts h LEU 107 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1zts h LEU 107 Cb 0.90 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1zts h LEU 107 CO 0.07 0.36 0.00 2.30 0.09 0.00 0.00 178.44 181.26 1zts n ILE 108 N -4.84 0.44 0.01 1.22 -5.35 -1.19 -4.33 119.36 105.32 1zts n ILE 108 Ca -0.05 -0.64 0.22 0.00 -0.27 0.00 0.00 62.75 62.01 1zts n ILE 108 Cb 0.14 0.78 0.72 0.00 -1.74 0.00 0.00 39.64 39.54 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 3.79 0.00 0.00 6.28 3.64 -0.29 0.27 116.57 130.27 1zts h LYS 109 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1zts h LYS 109 Cb 0.84 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1zts h LYS 109 CO 0.00 0.00 -1.36 -0.44 -2.27 0.00 0.00 179.45 175.38 1zts h ASP 110 N 0.00 0.00 -0.67 4.20 3.45 -1.77 -3.32 116.42 118.31 1zts h ASP 110 Ca 0.25 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.54 1zts h ASP 110 Cb 1.14 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.80 1zts h ASP 110 CO -0.00 0.60 0.22 -1.22 -1.57 0.00 0.00 179.24 177.27 1zts n TYR 111 N -2.93 2.25 -3.34 4.55 4.02 0.81 -4.95 117.16 117.59 1zts n TYR 111 Ca -0.09 -1.06 -0.38 0.00 -0.01 0.00 0.00 57.90 56.36 1zts n TYR 111 Cb 0.84 -0.63 -0.06 0.00 -0.02 0.00 0.00 39.34 39.47 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 -2.77 4.82 0.96 -0.72 1.01 -0.33 -4.93 120.40 118.45 1zts s VAL 112 Ca 0.51 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 1zts s VAL 112 Cb 0.40 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1zts s VAL 112 CO 0.13 0.53 0.14 0.29 0.00 0.00 0.00 175.10 176.18 1zts n LYS 113 N 1.64 -0.26 -0.58 2.72 5.02 -1.26 -4.98 118.16 120.46 1zts n LYS 113 Ca -0.11 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 55.98 1zts n LYS 113 Cb 0.51 -1.67 0.14 0.00 -0.02 0.00 0.00 35.03 33.99 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1zts n PRO 114 N -0.82 -2.19 -3.40 1.97 -0.04 -1.26 -4.97 135.00 124.29 1zts n PRO 114 Ca 0.05 -0.97 -0.43 0.00 -0.04 0.00 0.00 63.50 62.11 1zts n PRO 114 Cb 0.54 -0.90 -0.01 0.00 -0.04 0.00 0.00 33.50 33.09 1zts n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zts s ALA 115 N -3.00 4.65 0.81 0.55 0.00 -1.26 -5.05 121.76 118.45 1zts s ALA 115 Ca 0.39 -3.85 -0.13 0.00 0.00 0.00 0.00 51.96 48.38 1zts s ALA 115 Cb -0.04 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.74 1zts s ALA 115 CO 0.30 -2.19 1.19 -0.51 0.00 0.00 0.00 175.76 174.55 1zts s ASP 116 N 1.04 3.61 0.44 0.00 -0.00 -1.26 -5.02 116.67 115.48 1zts s ASP 116 Ca 0.30 2.32 0.00 0.00 -0.00 0.00 0.00 52.55 55.17 1zts s ASP 116 Cb -0.09 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.24 1zts s ASP 116 CO -0.09 -2.65 0.00 -0.81 -0.00 0.00 0.00 175.17 171.62 1zts n PRO 117 N -3.35 0.11 -0.22 8.23 -0.04 -1.26 -4.89 135.00 133.58 1zts n PRO 117 Ca 0.13 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1zts n PRO 117 Cb 0.51 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.09 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 -1.32 2.01 -0.09 3.54 -0.08 -1.26 -4.24 116.55 115.11 1zts n ASP 118 Ca 0.00 -2.17 0.25 0.00 -1.51 0.00 0.00 54.79 51.36 1zts n ASP 118 Cb 0.00 -0.39 0.72 0.00 2.34 0.00 0.00 41.12 43.79 1zts n ASP 118 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1zts h LEU 119 N 1.33 0.00 0.00 -2.67 8.10 -2.03 -3.41 115.31 116.63 1zts h LEU 119 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1zts h LEU 119 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1zts h LEU 119 CO 0.09 0.00 0.00 1.21 -4.11 0.00 0.00 178.44 175.63 1zts n GLU 120 N -4.17 -0.17 -1.40 0.17 2.13 -1.26 -4.36 120.64 111.58 1zts n GLU 120 Ca 0.14 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.83 1zts n GLU 120 Cb 0.83 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.48 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 4.53 1.43 3.39 8.31 0.00 -1.26 -4.99 105.19 116.60 1zts n GLY 121 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1zts n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zts s ILE 122 N -2.46 2.42 -1.34 -0.61 -1.09 -1.26 -4.59 121.20 112.26 1zts s ILE 122 Ca 0.00 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 1zts s ILE 122 Cb 0.00 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1zts s ILE 122 CO 0.00 0.38 0.00 1.21 -1.23 0.00 0.00 174.94 175.30 1zts n GLU 123 N 1.75 -1.36 -0.09 2.79 2.13 -1.26 -4.83 120.64 119.78 1zts n GLU 123 Ca -0.17 0.92 -0.18 0.00 0.66 0.00 0.00 57.16 58.39 1zts n GLU 123 Cb 0.52 -5.18 -0.13 0.00 0.27 0.00 0.00 31.44 26.92 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1zts n ALA 124 N 1.24 1.29 0.05 4.31 0.00 -1.26 -4.03 120.51 122.10 1zts n ALA 124 Ca -0.13 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.22 1zts n ALA 124 Cb 0.54 -0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 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 0.02 0.16 -0.55 0.00 3.64 -1.88 -3.28 116.57 114.68 1zts h LYS 125 Ca -0.53 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.57 1zts h LYS 125 Cb 1.95 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.85 1zts h LYS 125 CO -0.03 1.00 0.30 0.28 -2.27 0.00 0.00 179.45 178.73 1zts h VAL 126 N 0.04 1.18 -0.39 2.00 2.07 -1.96 -1.24 116.25 117.96 1zts h VAL 126 Ca -0.19 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1zts h VAL 126 Cb 1.96 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1zts h VAL 126 CO 0.14 0.19 0.09 0.03 0.02 0.00 0.00 177.57 178.05 1zts h ARG 127 N 0.74 0.57 0.28 1.57 2.47 -1.70 0.11 114.38 118.43 1zts h ARG 127 Ca 0.19 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1zts h ARG 127 Cb 0.04 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1zts h ARG 127 CO -0.03 0.53 -0.14 1.98 0.56 0.00 0.00 179.97 182.87 1zts h MET 128 N 0.56 -0.37 -0.17 0.04 4.05 -1.50 -0.78 114.93 116.77 1zts h MET 128 Ca 0.13 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 1zts h MET 128 Cb 0.22 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1zts h MET 128 CO -0.00 -0.25 0.17 0.07 0.23 0.00 0.00 176.91 177.13 1zts h ARG 129 N -0.66 0.00 -1.24 0.39 0.11 -1.26 -1.77 114.38 109.95 1zts h ARG 129 Ca -0.04 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.44 1zts h ARG 129 Cb 0.29 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 30.98 1zts h ARG 129 CO 0.06 0.00 -0.43 0.43 0.10 0.00 0.00 179.97 180.14 1zts n SER 130 N -3.94 5.36 -4.82 0.08 7.64 0.39 -5.04 113.62 113.28 1zts n SER 130 Ca 0.01 -3.75 -0.36 0.00 1.01 0.00 0.00 58.87 55.78 1zts n SER 130 Cb 0.29 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 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 -5.08 4.69 0.00 0.44 2.07 -0.30 -4.75 121.20 118.27 1zts s ILE 131 Ca 0.51 1.12 0.00 0.00 -1.41 0.00 0.00 60.65 60.87 1zts s ILE 131 Cb 0.42 -3.82 0.00 0.00 0.13 0.00 0.00 42.46 39.18 1zts s ILE 131 CO -0.11 0.27 0.78 0.18 -1.91 0.00 0.00 174.94 174.14 1zts n LEU 132 N 0.88 0.00 0.05 8.50 4.77 -1.26 -4.92 117.00 125.02 1zts n LEU 132 Ca -0.04 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1zts n LEU 132 Cb 0.51 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1zts n LEU 132 CO 0.43 -0.28 0.00 -0.62 -1.33 0.00 0.00 177.39 175.59 1zts n GLU 133 N -1.58 0.00 -3.61 3.23 1.02 -1.26 -5.17 120.64 113.27 1zts n GLU 133 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1zts n GLU 133 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1zts n GLU 133 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1zts s HIS 134 N -1.29 -0.18 -0.76 -0.32 2.46 -1.26 -5.04 115.29 108.90 1zts s HIS 134 Ca 0.00 0.26 -0.02 0.00 0.47 0.00 0.00 55.06 55.77 1zts s HIS 134 Cb 0.00 0.49 0.40 0.00 -0.13 0.00 0.00 32.58 33.34 1zts s HIS 134 CO 0.00 -0.19 2.04 0.72 -2.47 0.00 0.00 174.74 174.84 1zts n HIS 135 N 0.43 3.11 -1.16 3.88 8.25 -1.26 -5.01 115.22 123.47 1zts n HIS 135 Ca -0.04 -2.69 -0.31 0.00 -0.26 0.00 0.00 57.72 54.43 1zts n HIS 135 Cb 0.58 -1.33 0.11 0.00 1.12 0.00 0.00 29.99 30.48 1zts n HIS 135 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1zts s HIS 136 N -3.95 2.38 0.28 4.41 5.04 -1.26 -5.07 115.29 117.12 1zts s HIS 136 Ca 0.59 1.53 0.02 0.00 -1.54 0.00 0.00 55.06 55.65 1zts s HIS 136 Cb 0.48 -3.11 -0.05 0.00 0.04 0.00 0.00 32.58 29.94 1zts s HIS 136 CO -0.21 -2.09 0.10 -1.58 -2.34 0.00 0.00 174.74 168.62 1zts s HIS 137 N -2.87 1.64 0.00 3.88 2.46 -1.26 -5.05 115.29 114.10 1zts s HIS 137 Ca 0.62 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 54.99 1zts s HIS 137 Cb -0.18 -0.98 0.00 0.00 -0.13 0.00 0.00 32.58 31.29 1zts s HIS 137 CO 0.57 -0.29 0.00 1.58 -2.47 0.00 0.00 174.74 174.12 1zts n HIS 138 N -0.54 -0.97 -1.89 3.88 -0.00 -1.26 -5.32 115.22 109.12 1zts n HIS 138 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1zts n HIS 138 Cb 0.66 0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.84 1zts n HIS 138 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92