#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts h LEU 2 N 0.00 -0.18 0.00 4.03 7.12 -1.96 -3.47 115.31 120.85 1zts h LEU 2 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1zts h LEU 2 Cb 0.00 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1zts h LEU 2 CO 0.00 -0.10 0.00 -0.11 -0.13 0.00 0.00 178.44 178.10 1zts n LEU 3 N -2.64 0.00 -4.90 2.25 0.00 -1.26 -5.15 117.00 105.29 1zts n LEU 3 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.70 1zts n LEU 3 Cb 0.06 0.00 0.10 0.00 0.00 0.00 0.00 43.42 43.59 1zts n LEU 3 CO 0.04 0.00 0.79 0.27 0.00 0.00 0.00 177.39 178.49 1zts s ILE 4 N 0.00 2.00 0.29 1.96 -4.36 -1.26 -5.10 121.20 114.73 1zts s ILE 4 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 60.65 60.51 1zts s ILE 4 Cb 0.00 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.67 1zts s ILE 4 CO 0.00 0.00 -0.17 0.42 0.24 0.00 0.00 174.94 175.43 1zts s THR 5 N -3.60 2.53 0.18 8.37 -4.23 -1.26 -4.69 115.64 112.95 1zts s THR 5 Ca 0.63 -2.35 0.28 0.00 -1.18 0.00 0.00 61.69 59.07 1zts s THR 5 Cb -0.10 -2.38 0.30 0.00 1.34 0.00 0.00 72.50 71.65 1zts s THR 5 CO 0.50 -0.38 1.93 1.55 -0.54 0.00 0.00 174.62 177.68 1zts h PRO 6 N 2.21 0.00 0.00 3.99 0.13 -1.88 -2.81 132.00 133.63 1zts h PRO 6 Ca -0.41 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 1zts h PRO 6 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1zts h PRO 6 CO 0.61 0.13 -0.83 0.22 -0.23 0.00 0.00 178.00 177.90 1zts h ASP 7 N 0.00 0.09 0.22 1.44 -0.00 -1.95 -3.25 116.42 112.97 1zts h ASP 7 Ca -0.00 -0.08 -0.24 0.00 -0.00 0.00 0.00 57.03 56.71 1zts h ASP 7 Cb 0.59 -0.03 0.01 0.00 -0.00 0.00 0.00 39.33 39.90 1zts h ASP 7 CO 0.02 0.88 -0.97 -0.33 -0.00 0.00 0.00 179.24 178.83 1zts h GLU 8 N 0.04 0.51 -0.56 0.28 4.39 -1.92 -2.85 114.58 114.47 1zts h GLU 8 Ca -0.02 -0.55 0.10 0.00 0.34 0.00 0.00 59.36 59.22 1zts h GLU 8 Cb 1.45 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 30.18 1zts h GLU 8 CO 0.12 1.18 0.13 1.25 -1.16 0.00 0.00 179.01 180.53 1zts h LEU 9 N 0.29 0.04 -0.47 1.33 5.85 -1.55 -0.62 115.31 120.18 1zts h LEU 9 Ca -0.10 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1zts h LEU 9 Cb 1.61 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.76 1zts h LEU 9 CO 0.18 0.04 -0.53 0.07 -0.34 0.00 0.00 178.44 177.86 1zts h LYS 10 N 0.27 0.65 -0.90 1.25 2.10 -1.62 0.25 116.57 118.57 1zts h LYS 10 Ca 0.28 -0.40 0.05 0.00 -2.00 0.00 0.00 60.65 58.58 1zts h LYS 10 Cb 0.39 0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.71 1zts h LYS 10 CO -0.35 1.01 0.59 1.03 -2.00 0.00 0.00 179.45 179.73 1zts h SER 11 N 0.50 0.94 0.02 7.07 0.87 -1.02 -3.14 113.55 118.79 1zts h SER 11 Ca 0.01 -0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 1zts h SER 11 Cb 1.09 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1zts h SER 11 CO 0.11 0.63 -1.08 0.22 -0.53 0.00 0.00 176.83 176.18 1zts h TYR 12 N 1.09 0.06 -3.13 2.24 5.03 -1.08 -3.48 116.97 117.70 1zts h TYR 12 Ca 0.37 -0.04 -0.51 0.00 2.58 0.00 0.00 58.73 61.12 1zts h TYR 12 Cb 0.08 -0.00 0.22 0.00 1.55 0.00 0.00 36.73 38.58 1zts h TYR 12 CO -0.00 1.42 -0.68 0.45 -1.32 0.00 0.00 178.16 178.03 1zts n SER 13 N -4.38 -2.09 -0.01 -2.11 2.88 0.86 -4.96 113.62 103.81 1zts n SER 13 Ca -0.28 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1zts n SER 13 Cb 0.68 -1.15 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 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 -3.88 0.11 -1.80 2.46 0.24 -1.26 -4.87 118.33 109.33 1zts n VAL 14 Ca 0.05 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 1zts n VAL 14 Cb 0.56 -0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.20 1.55 0.62 6.34 0.08 -1.26 -4.84 117.98 118.27 1zts s PHE 15 Ca -0.02 -0.15 0.43 0.00 0.12 0.00 0.00 56.93 57.31 1zts s PHE 15 Cb 0.02 -4.11 2.32 0.00 -0.57 0.00 0.00 43.02 40.68 1zts s PHE 15 CO 0.16 -4.81 2.34 1.49 -0.10 0.00 0.00 175.22 174.30 1zts h GLU 16 N 10.42 0.00 -0.15 0.44 4.81 -1.99 -1.22 114.58 126.88 1zts h GLU 16 Ca -0.45 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 1zts h GLU 16 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1zts h GLU 16 CO 0.95 0.00 -0.48 0.77 -0.73 0.00 0.00 179.01 179.52 1zts h SER 17 N 0.00 0.43 0.53 1.04 0.02 -1.94 0.25 113.55 113.88 1zts h SER 17 Ca -0.00 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.56 1zts h SER 17 Cb 0.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1zts h SER 17 CO 0.00 0.84 -0.82 0.58 -1.14 0.00 0.00 176.83 176.29 1zts h VAL 18 N 0.31 1.47 0.03 2.27 2.07 -1.49 -3.06 116.25 117.85 1zts h VAL 18 Ca 0.02 -2.48 -0.08 0.00 0.82 0.00 0.00 66.70 64.98 1zts h VAL 18 Cb 0.96 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1zts h VAL 18 CO 0.08 0.73 -0.39 0.11 0.02 0.00 0.00 177.57 178.12 1zts h LYS 19 N 0.13 0.06 -0.78 1.57 1.57 -1.42 -3.31 116.57 114.39 1zts h LYS 19 Ca -0.04 -0.10 0.22 0.00 -1.87 0.00 0.00 60.65 58.87 1zts h LYS 19 Cb 1.43 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 1zts h LYS 19 CO 0.13 1.05 0.55 0.00 -0.57 0.00 0.00 179.45 180.61 1zts h THR 20 N -0.87 0.62 -4.29 -0.16 1.03 -0.61 -3.42 112.91 105.22 1zts h THR 20 Ca -0.09 -0.01 -0.52 0.00 -0.01 0.00 0.00 66.41 65.78 1zts h THR 20 Cb 1.18 0.59 0.16 0.00 -1.07 0.00 0.00 68.15 69.01 1zts h THR 20 CO -0.01 0.01 0.28 -0.13 -0.01 0.00 0.00 175.52 175.65 1zts s ARG 21 N -5.02 1.69 0.09 0.00 0.52 -1.15 -5.04 118.95 110.03 1zts s ARG 21 Ca -0.05 1.32 -0.01 0.00 -0.52 0.00 0.00 55.73 56.47 1zts s ARG 21 Cb 0.21 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.88 1zts s ARG 21 CO 0.76 -2.09 0.08 -0.35 0.02 0.00 0.00 175.30 173.72 1zts n PRO 22 N -3.84 -1.18 -0.03 3.54 -0.04 -1.26 -4.95 135.00 127.24 1zts n PRO 22 Ca 0.10 -0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1zts n PRO 22 Cb 0.53 -0.11 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 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 -3.13 0.34 -0.03 3.54 8.00 -1.26 -3.72 116.55 120.29 1zts n ASP 23 Ca 0.01 0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.50 1zts n ASP 23 Cb 0.04 0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.59 -0.26 -1.24 4.11 -1.99 -3.03 114.58 112.75 1zts h GLU 24 Ca -0.27 -0.46 -0.05 0.00 0.07 0.00 0.00 59.36 58.65 1zts h GLU 24 Cb 1.70 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1zts h GLU 24 CO 0.03 1.08 -0.05 -0.07 0.07 0.00 0.00 179.01 180.07 1zts h LEU 25 N 0.23 0.50 -0.93 3.06 3.38 -1.97 -2.93 115.31 116.65 1zts h LEU 25 Ca -0.03 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1zts h LEU 25 Cb 1.16 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1zts h LEU 25 CO 0.11 0.73 0.54 -0.07 0.09 0.00 0.00 178.44 179.84 1zts h LEU 26 N 0.25 0.73 0.64 1.67 3.38 -1.64 -1.05 115.31 119.29 1zts h LEU 26 Ca 0.07 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1zts h LEU 26 Cb 0.51 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1zts h LEU 26 CO 0.02 0.33 -0.31 0.11 0.09 0.00 0.00 178.44 178.69 1zts h LYS 27 N 0.79 -0.83 -0.47 1.13 1.57 -1.41 -0.30 116.57 117.05 1zts h LYS 27 Ca 0.50 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.47 1zts h LYS 27 Cb 0.64 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1zts h LYS 27 CO -0.33 -0.53 0.36 1.96 -0.57 0.00 0.00 179.45 180.34 1zts h GLN 28 N -0.91 0.00 0.03 3.15 4.20 -1.25 0.68 115.11 121.02 1zts h GLN 28 Ca -0.09 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 1zts h GLN 28 Cb 0.68 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.47 1zts h GLN 28 CO 0.14 0.00 -1.03 0.22 -0.67 0.00 0.00 178.83 177.49 1zts h ASP 29 N 0.00 0.63 0.06 1.46 1.82 -0.74 -2.58 116.42 117.07 1zts h ASP 29 Ca 0.22 -0.53 -0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1zts h ASP 29 Cb 0.95 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1zts h ASP 29 CO -0.00 1.34 -0.03 0.40 -1.61 0.00 0.00 179.24 179.34 1zts h ILE 30 N 0.25 1.24 0.00 2.25 2.04 0.84 -1.79 117.51 122.34 1zts h ILE 30 Ca -0.11 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1zts h ILE 30 Cb 1.68 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1zts h ILE 30 CO 0.18 0.29 -0.07 -0.07 0.00 0.00 0.00 178.15 178.48 1zts h LEU 31 N -0.62 0.00 -0.02 1.44 3.38 -1.19 -0.94 115.31 117.35 1zts h LEU 31 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1zts h LEU 31 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1zts h LEU 31 CO 0.01 0.07 -0.49 -0.08 0.09 0.00 0.00 178.44 178.05 1zts h GLU 32 N 0.00 0.00 0.05 1.13 4.22 -1.42 -3.30 114.58 115.26 1zts h GLU 32 Ca -0.00 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.29 1zts h GLU 32 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1zts h GLU 32 CO 0.01 0.49 -0.60 0.00 -2.18 0.00 0.00 179.01 176.72 1zts h ALA 33 N 1.51 0.01 -0.11 2.92 0.00 -0.28 -3.22 119.26 120.08 1zts h ALA 33 Ca -0.00 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1zts h ALA 33 Cb 1.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1zts h ALA 33 CO 0.06 0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.84 1zts h THR 34 N -0.27 0.24 -0.07 0.00 1.03 -1.43 0.74 112.91 113.15 1zts h THR 34 Ca -0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.24 1zts h THR 34 Cb 1.37 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 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 1.68 1.36 -0.09 0.00 0.00 -1.63 -2.54 119.26 118.04 1zts h ALA 35 Ca 0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1zts h ALA 35 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zts h ALA 35 CO -0.00 0.46 -0.40 0.22 0.00 0.00 0.00 179.25 179.53 1zts h ASP 36 N 0.11 0.51 -0.74 0.00 1.82 -0.99 -3.01 116.42 114.12 1zts h ASP 36 Ca 0.01 -0.64 0.03 0.00 -0.39 0.00 0.00 57.03 56.04 1zts h ASP 36 Cb 0.61 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 1zts h ASP 36 CO 0.04 1.06 0.48 0.40 -1.61 0.00 0.00 179.24 179.61 1zts h ILE 37 N -0.02 1.13 -0.44 2.25 2.04 -1.50 -1.87 117.51 119.10 1zts h ILE 37 Ca -0.02 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1zts h ILE 37 Cb 1.04 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1zts h ILE 37 CO 0.08 0.17 0.21 0.40 0.00 0.00 0.00 178.15 179.01 1zts h ILE 38 N 0.94 1.15 0.00 -0.67 2.04 -1.50 -1.04 117.51 118.43 1zts h ILE 38 Ca 0.29 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1zts h ILE 38 Cb -0.01 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1zts h ILE 38 CO -0.10 0.18 -0.10 -0.07 0.00 0.00 0.00 178.15 178.06 1zts h LEU 39 N 0.61 0.00 0.07 1.44 3.38 -1.20 0.26 115.31 119.88 1zts h LEU 39 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1zts h LEU 39 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1zts h LEU 39 CO -0.02 0.10 -0.58 0.11 0.09 0.00 0.00 178.44 178.14 1zts h LYS 40 N 0.00 0.15 -0.02 1.13 1.57 -0.96 -3.34 116.57 115.10 1zts h LYS 40 Ca -0.00 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 58.35 1zts h LYS 40 Cb 0.45 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1zts h LYS 40 CO 0.01 1.12 -0.74 -0.39 -0.57 0.00 0.00 179.45 178.89 1zts h VAL 41 N -0.66 1.47 -0.15 0.50 -1.51 -1.32 -3.47 116.25 111.10 1zts h VAL 41 Ca -0.12 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 62.98 1zts h VAL 41 Cb 1.37 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.81 1zts h VAL 41 CO 0.06 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.69 1zts n GLY 42 N 0.57 0.94 3.65 5.19 0.00 0.89 -2.91 105.19 113.51 1zts n GLY 42 Ca -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.15 -0.19 0.00 1.61 -3.43 -1.08 -4.95 115.29 105.10 1zts s HIS 43 Ca 0.00 0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.71 1zts s HIS 43 Cb 0.00 0.43 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1zts s HIS 43 CO 0.00 -0.09 0.00 -0.40 -2.00 0.00 0.00 174.74 172.25 1zts n ASP 44 N 1.88 0.00 -2.74 7.38 5.75 -1.26 -4.71 116.55 122.85 1zts n ASP 44 Ca -0.11 -0.99 -0.18 0.00 -0.01 0.00 0.00 54.79 53.50 1zts n ASP 44 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1zts n PHE 45 N -1.07 2.04 0.03 2.11 0.99 -1.26 -4.87 117.46 115.43 1zts n PHE 45 Ca 0.00 -3.24 -0.21 0.00 -0.00 0.00 0.00 57.45 54.00 1zts n PHE 45 Cb 0.00 -0.31 -0.14 0.00 -1.00 0.00 0.00 39.48 38.02 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1zts h SER 46 N 2.87 0.42 -1.59 4.37 0.87 -1.98 -3.44 113.55 115.08 1zts h SER 46 Ca 0.09 -0.90 -0.67 0.00 -1.23 0.00 0.00 61.79 59.08 1zts h SER 46 Cb 0.97 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1zts h SER 46 CO 0.65 1.50 1.15 0.47 -0.53 0.00 0.00 176.83 180.07 1zts n ASP 47 N -4.04 2.72 0.34 6.23 9.92 -1.26 -4.79 116.55 125.66 1zts n ASP 47 Ca -0.19 0.81 0.22 0.00 -0.53 0.00 0.00 54.79 55.10 1zts n ASP 47 Cb 0.86 -1.27 1.18 0.00 -0.64 0.00 0.00 41.12 41.24 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 9.78 1.06 -0.56 2.24 0.00 -2.02 0.24 119.26 130.01 1zts h ALA 48 Ca -0.41 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1zts h ALA 48 Cb 1.30 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1zts h ALA 48 CO 0.98 -0.02 0.19 -0.85 0.00 0.00 0.00 179.25 179.54 1zts n GLU 49 N -3.13 3.24 -2.67 0.00 0.28 -1.26 -4.43 120.64 112.67 1zts n GLU 49 Ca -0.03 -2.38 -0.05 0.00 -0.16 0.00 0.00 57.16 54.54 1zts n GLU 49 Cb 0.09 -2.02 0.09 0.00 1.43 0.00 0.00 31.44 31.03 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 0.01 -0.86 -3.39 -1.84 9.36 0.07 -4.60 117.16 115.91 1zts n TYR 50 Ca 0.31 -0.90 -0.32 0.00 3.32 0.00 0.00 57.90 60.30 1zts n TYR 50 Cb 1.14 1.20 -0.06 0.00 -0.63 0.00 0.00 39.34 41.00 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 0.99 3.12 -2.18 2.97 5.41 -1.22 -4.57 119.36 123.88 1zts n ILE 51 Ca -0.01 -5.36 -0.35 0.00 1.00 0.00 0.00 62.75 58.04 1zts n ILE 51 Cb 0.72 -2.14 0.01 0.00 -0.71 0.00 0.00 39.64 37.52 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 -2.34 3.27 -0.52 0.38 0.04 -1.26 -5.03 135.00 129.54 1zts s PRO 52 Ca 0.35 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.04 1zts s PRO 52 Cb 0.08 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.82 1zts s PRO 52 CO -0.01 -0.91 0.73 -0.11 0.04 0.00 0.00 177.00 176.74 1zts n LEU 53 N -1.46 -3.45 0.00 -3.56 7.94 -1.26 -5.02 117.00 110.19 1zts n LEU 53 Ca 0.11 -2.93 -0.02 0.00 -1.11 0.00 0.00 56.01 52.07 1zts n LEU 53 Cb 0.51 0.76 0.01 0.00 0.53 0.00 0.00 43.42 45.24 1zts n LEU 53 CO 0.43 1.94 0.03 -0.81 -1.11 0.00 0.00 177.39 177.87 1zts n PRO 54 N 2.90 -1.14 0.14 1.96 -0.04 -1.26 -4.90 135.00 132.66 1zts n PRO 54 Ca 0.18 -0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1zts n PRO 54 Cb 0.56 -0.09 0.05 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.00 0.54 4.81 -2.00 -3.26 114.58 114.66 1zts h GLU 55 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1zts h GLU 55 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1zts h GLU 55 CO 0.01 0.14 -0.09 1.79 -0.73 0.00 0.00 179.01 180.13 1zts h THR 56 N 0.00 1.57 -0.10 0.32 1.35 -1.93 -3.09 112.91 111.03 1zts h THR 56 Ca -0.03 -1.81 0.02 0.00 -0.55 0.00 0.00 66.41 64.05 1zts h THR 56 Cb 1.17 2.76 -0.02 0.00 -1.73 0.00 0.00 68.15 70.32 1zts h THR 56 CO 0.02 0.48 -0.05 0.58 -0.25 0.00 0.00 175.52 176.30 1zts h VAL 57 N -0.64 0.85 -0.83 6.82 2.07 -1.81 0.16 116.25 122.86 1zts h VAL 57 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 1zts h VAL 57 Cb 0.84 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1zts h VAL 57 CO 0.02 0.00 0.41 -0.09 0.02 0.00 0.00 177.57 177.93 1zts h ARG 58 N -0.03 0.57 -0.08 1.57 2.43 -1.67 0.16 114.38 117.32 1zts h ARG 58 Ca 0.06 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 1zts h ARG 58 Cb 0.12 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1zts h ARG 58 CO -0.13 0.38 -0.69 1.25 -1.51 0.00 0.00 179.97 179.27 1zts h LEU 59 N 0.58 0.44 -0.57 3.80 5.85 -1.33 -2.32 115.31 121.76 1zts h LEU 59 Ca 0.46 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1zts h LEU 59 Cb 0.66 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1zts h LEU 59 CO -0.37 1.00 0.33 0.00 -0.34 0.00 0.00 178.44 179.06 1zts h ALA 60 N 0.99 0.73 -0.24 1.25 0.00 0.12 -1.75 119.26 120.36 1zts h ALA 60 Ca -0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1zts h ALA 60 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1zts h ALA 60 CO 0.12 0.23 -0.59 1.25 0.00 0.00 0.00 179.25 180.26 1zts h LEU 61 N 0.77 0.94 -0.85 0.00 6.46 -1.17 -2.01 115.31 119.45 1zts h LEU 61 Ca 0.20 -0.56 0.06 0.00 -0.12 0.00 0.00 57.88 57.47 1zts h LEU 61 Cb 0.01 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 39.61 1zts h LEU 61 CO -0.04 1.33 0.52 -0.07 -0.62 0.00 0.00 178.44 179.57 1zts h LEU 62 N 0.59 0.82 -0.17 2.25 3.38 -1.20 0.26 115.31 121.24 1zts h LEU 62 Ca -0.00 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1zts h LEU 62 Cb 1.20 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1zts h LEU 62 CO 0.13 0.52 -0.72 0.11 0.09 0.00 0.00 178.44 178.57 1zts h LYS 63 N 0.95 0.78 -0.55 1.13 1.79 -1.31 -3.08 116.57 116.29 1zts h LYS 63 Ca 0.37 -0.62 -0.04 0.00 -2.18 0.00 0.00 60.65 58.18 1zts h LYS 63 Cb 0.18 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1zts h LYS 63 CO -0.18 1.23 0.18 -0.07 -1.08 0.00 0.00 179.45 179.53 1zts h LEU 64 N 0.51 0.80 -0.74 2.94 3.38 -0.78 -2.36 115.31 119.06 1zts h LEU 64 Ca -0.04 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1zts h LEU 64 Cb 1.35 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1zts h LEU 64 CO 0.15 0.79 0.44 0.77 0.09 0.00 0.00 178.44 180.67 1zts h SER 65 N 0.76 0.67 -0.71 -0.43 4.64 -0.54 -1.78 113.55 116.17 1zts h SER 65 Ca 0.18 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 1zts h SER 65 Cb 0.27 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1zts h SER 65 CO -0.01 0.43 0.19 -0.61 -0.87 0.00 0.00 176.83 175.96 1zts h GLN 66 N 0.80 1.12 0.43 4.77 -0.00 -1.41 0.21 115.11 121.04 1zts h GLN 66 Ca 0.33 -0.26 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 1zts h GLN 66 Cb 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.50 1zts h GLN 66 CO -0.18 0.98 -0.25 0.35 0.00 0.00 0.00 178.83 179.73 1zts h PHE 67 N 1.06 -0.67 0.21 3.99 3.04 -0.82 0.88 116.94 124.64 1zts h PHE 67 Ca 0.22 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1zts h PHE 67 Cb 0.35 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1zts h PHE 67 CO 0.03 -0.40 -0.10 1.88 -2.02 0.00 0.00 178.31 177.70 1zts h TYR 68 N -0.65 -0.26 -0.64 0.41 -1.99 -1.31 -2.88 116.97 109.64 1zts h TYR 68 Ca -0.05 -0.01 0.19 0.00 2.00 0.00 0.00 58.73 60.86 1zts h TYR 68 Cb 0.53 0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.32 1zts h TYR 68 CO -0.08 0.07 0.49 0.00 -0.00 0.00 0.00 178.16 178.64 1zts h ALA 69 N 0.06 2.56 -0.13 3.88 0.00 -0.59 0.78 119.26 125.82 1zts h ALA 69 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1zts h ALA 69 Cb 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1zts h ALA 69 CO 0.05 -0.83 -0.08 1.25 0.00 0.00 0.00 179.25 179.64 1zts h LEU 70 N 0.00 0.30 -2.88 0.00 5.85 -0.63 -3.05 115.31 114.90 1zts h LEU 70 Ca 0.31 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1zts h LEU 70 Cb 1.29 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1zts h LEU 70 CO -0.00 0.67 0.04 2.30 -0.34 0.00 0.00 178.44 181.11 1zts n ILE 71 N -4.65 2.03 -0.05 4.05 -5.35 -0.27 -3.44 119.36 111.68 1zts n ILE 71 Ca -0.06 -1.03 -0.18 0.00 -0.27 0.00 0.00 62.75 61.20 1zts n ILE 71 Cb 0.31 -0.36 -0.13 0.00 -1.74 0.00 0.00 39.64 37.71 1zts n ILE 71 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1zts n ASN 72 N 0.36 1.80 -0.20 7.28 2.85 0.11 -4.55 115.26 122.92 1zts n ASN 72 Ca 0.22 0.10 0.05 0.00 -0.11 0.00 0.00 54.58 54.85 1zts n ASN 72 Cb 0.96 -0.50 0.08 0.00 1.24 0.00 0.00 39.78 41.56 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1zts n GLY 73 N 2.02 2.94 0.28 8.20 0.00 -1.25 -4.74 105.19 112.65 1zts n GLY 73 Ca -0.35 -0.62 0.18 0.00 0.00 0.00 0.00 46.02 45.23 1zts n GLY 73 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1zts h ASP 74 N 0.00 0.00 -6.28 1.61 3.58 -1.79 -3.46 116.42 110.07 1zts h ASP 74 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1zts h ASP 74 Cb 1.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1zts h ASP 74 CO 0.00 0.00 -0.84 1.21 -2.88 0.00 0.00 179.24 176.73 1zts n GLU 75 N -3.00 -4.40 -0.97 0.28 2.13 -1.26 -4.79 120.64 108.63 1zts n GLU 75 Ca -0.00 0.54 -0.00 0.00 0.66 0.00 0.00 57.16 58.35 1zts n GLU 75 Cb 0.22 -5.01 0.00 0.00 0.27 0.00 0.00 31.44 26.92 1zts n GLU 75 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1zts n SER 76 N -2.98 -0.03 -4.25 4.31 2.88 -1.26 -5.10 113.62 107.18 1zts n SER 76 Ca -0.24 -0.49 -0.33 0.00 -1.33 0.00 0.00 58.87 56.49 1zts n SER 76 Cb 0.65 0.01 -0.16 0.00 -0.75 0.00 0.00 64.21 63.96 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1zts s ILE 77 N 0.00 2.47 -0.56 2.46 -1.09 -1.26 -2.63 121.20 120.59 1zts s ILE 77 Ca 0.00 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.29 1zts s ILE 77 Cb 0.00 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 1zts s ILE 77 CO -0.00 0.53 1.38 -0.63 -1.23 0.00 0.00 174.94 175.00 1zts s ILE 78 N 0.66 3.82 0.32 2.92 1.01 0.31 -4.91 121.20 125.33 1zts s ILE 78 Ca -0.09 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.15 1zts s ILE 78 Cb -0.16 -4.48 0.05 0.00 0.01 0.00 0.00 42.46 37.88 1zts s ILE 78 CO 0.02 -1.19 0.63 2.29 0.00 0.00 0.00 174.94 176.69 1zts n LYS 79 N 8.63 0.90 -1.86 2.79 -0.00 -1.26 -2.83 118.16 124.54 1zts n LYS 79 Ca 0.12 -1.86 -0.21 0.00 -0.00 0.00 0.00 58.31 56.35 1zts n LYS 79 Cb 0.49 2.27 -0.06 0.00 -0.00 0.00 0.00 35.03 37.73 1zts n LYS 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1zts s GLY 80 N -2.70 -0.23 0.18 2.58 0.00 -1.26 -4.75 107.32 101.14 1zts s GLY 80 Ca 0.14 -1.27 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 1zts s GLY 80 CO 0.10 3.79 1.54 0.10 0.00 0.00 0.00 173.10 178.63 1zts h TYR 81 N 11.74 0.96 -0.24 1.90 -0.00 -1.95 -2.90 116.97 126.50 1zts h TYR 81 Ca 0.06 -0.27 0.00 0.00 -0.00 0.00 0.00 58.73 58.53 1zts h TYR 81 Cb 1.00 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 37.52 1zts h TYR 81 CO 1.19 1.04 0.00 -2.37 -0.00 0.00 0.00 178.16 178.03 1zts n THR 82 N -4.06 0.29 -2.23 -0.90 5.66 -1.26 -4.93 114.28 106.85 1zts n THR 82 Ca -0.01 -0.53 -0.06 0.00 -3.05 0.00 0.00 64.05 60.40 1zts n THR 82 Cb 0.51 0.79 0.03 0.00 -1.55 0.00 0.00 70.33 70.11 1zts n THR 82 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1zts n THR 83 N 0.95 0.00 -2.26 1.09 -2.24 -1.10 -5.12 114.28 105.60 1zts n THR 83 Ca 0.17 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1zts n THR 83 Cb 0.49 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1zts n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zts n GLU 84 N -1.48 0.93 -0.94 -0.78 1.02 -1.26 -4.98 120.64 113.15 1zts n GLU 84 Ca 0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.99 1zts n GLU 84 Cb 0.14 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.66 1zts n GLU 84 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1zts n LYS 85 N -0.87 1.98 0.28 3.49 4.81 -1.26 -4.49 118.16 122.11 1zts n LYS 85 Ca 0.00 -2.16 0.19 0.00 -0.87 0.00 0.00 58.31 55.48 1zts n LYS 85 Cb 0.00 -1.84 1.02 0.00 0.02 0.00 0.00 35.03 34.22 1zts n LYS 85 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1zts h ILE 86 N 0.81 0.00 -0.50 3.15 2.04 -1.99 -3.45 117.51 117.57 1zts h ILE 86 Ca 0.43 -0.02 -0.21 0.00 1.00 0.00 0.00 64.86 66.06 1zts h ILE 86 Cb 1.74 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 1zts h ILE 86 CO 0.90 0.00 -0.19 0.61 0.00 0.00 0.00 178.15 179.46 1zts n GLY 87 N -1.09 1.18 0.00 5.37 0.00 -1.26 -5.00 105.19 104.38 1zts n GLY 87 Ca -0.02 -0.49 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 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 88 N 0.16 0.03 -1.20 1.61 -0.08 -1.26 -5.04 116.55 110.77 1zts n ASP 88 Ca -0.10 -0.89 0.14 0.00 -1.51 0.00 0.00 54.79 52.43 1zts n ASP 88 Cb 0.36 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.74 1zts n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zts n TYR 89 N -0.88 -3.24 -0.40 -0.67 4.19 -1.26 -4.78 117.16 110.12 1zts n TYR 89 Ca 0.00 1.79 -0.26 0.00 3.31 0.00 0.00 57.90 62.74 1zts n TYR 89 Cb 0.00 -2.94 0.23 0.00 0.49 0.00 0.00 39.34 37.12 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1zts n SER 90 N -3.88 -3.29 -2.69 2.98 7.64 -1.26 -4.97 113.62 108.14 1zts n SER 90 Ca -0.08 -0.55 -0.06 0.00 1.01 0.00 0.00 58.87 59.19 1zts n SER 90 Cb 0.56 -0.96 0.10 0.00 -1.01 0.00 0.00 64.21 62.90 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 -5.15 -1.62 -1.58 1.43 4.01 -1.18 -4.43 117.16 108.64 1zts n TYR 91 Ca 0.08 -2.06 -0.42 0.00 -0.16 0.00 0.00 57.90 55.34 1zts n TYR 91 Cb 0.52 1.17 0.01 0.00 -0.31 0.00 0.00 39.34 40.73 1zts n TYR 91 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1zts n THR 92 N -0.62 2.35 -2.25 -0.72 -1.04 -1.13 -4.45 114.28 106.42 1zts n THR 92 Ca -0.02 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.45 1zts n THR 92 Cb 0.85 -1.03 0.02 0.00 -1.82 0.00 0.00 70.33 68.35 1zts n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1zts n LEU 93 N 0.65 0.00 0.08 -4.42 4.77 -1.13 -0.53 117.00 116.41 1zts n LEU 93 Ca 0.10 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.67 1zts n LEU 93 Cb 0.39 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1zts n LEU 93 CO 0.56 -0.59 0.50 1.23 -1.33 0.00 0.00 177.39 177.76 1zts h GLY 94 N -0.11 0.29 -3.35 -0.72 0.00 -1.87 -2.98 103.07 94.33 1zts h GLY 94 Ca -0.06 -0.35 -0.24 0.00 0.00 0.00 0.00 47.33 46.68 1zts h GLY 94 CO 0.06 0.31 0.31 1.22 0.00 0.00 0.00 176.54 178.44 1zts n ASP 95 N -3.90 4.07 -3.57 0.19 8.00 -1.26 -4.92 116.55 115.16 1zts n ASP 95 Ca -0.02 -3.05 -0.27 0.00 0.71 0.00 0.00 54.79 52.15 1zts n ASP 95 Cb 0.60 -0.72 0.05 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.27 -1.04 3.27 0.44 0.00 -1.13 -5.00 105.19 101.46 1zts n GLY 96 Ca 0.37 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.58 1zts n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zts s SER 97 N -3.43 2.78 -0.95 1.61 0.01 -1.26 -4.90 113.70 107.56 1zts s SER 97 Ca 0.46 -0.43 -0.24 0.00 1.31 0.00 0.00 55.95 57.05 1zts s SER 97 Cb -0.14 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.78 1zts s SER 97 CO 0.83 0.29 1.47 -0.55 0.41 0.00 0.00 173.24 175.69 1zts s SER 98 N -0.52 6.29 -0.68 2.44 0.15 -1.26 -2.84 113.70 117.28 1zts s SER 98 Ca 0.08 -1.16 -0.24 0.00 0.70 0.00 0.00 55.95 55.34 1zts s SER 98 Cb -0.09 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.71 1zts s SER 98 CO -0.01 -1.70 1.06 -0.22 1.20 0.00 0.00 173.24 173.58 1zts s LEU 99 N 5.67 3.99 -0.00 3.45 2.96 -1.26 -5.02 118.68 128.47 1zts s LEU 99 Ca 0.47 -0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1zts s LEU 99 Cb -0.02 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1zts s LEU 99 CO -0.04 -1.57 0.18 -1.10 -1.32 0.00 0.00 176.35 172.50 1zts s GLN 100 N 4.60 3.41 0.96 1.98 1.11 -1.26 -4.82 119.66 125.64 1zts s GLN 100 Ca 0.26 -0.34 -0.13 0.00 0.01 0.00 0.00 55.36 55.16 1zts s GLN 100 Cb -0.14 -3.07 0.03 0.00 -1.01 0.00 0.00 33.01 28.82 1zts s GLN 100 CO 0.12 0.67 0.33 1.63 0.01 0.00 0.00 175.29 178.05 1zts n LYS 101 N 0.91 -0.34 -2.25 2.91 4.01 -1.26 -4.91 118.16 117.23 1zts n LYS 101 Ca -0.11 -0.06 -0.41 0.00 -0.51 0.00 0.00 58.31 57.23 1zts n LYS 101 Cb 0.52 -1.81 -0.03 0.00 -0.51 0.00 0.00 35.03 33.20 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 4.45 -1.14 1.97 0.04 -1.26 -4.91 135.00 130.59 1zts s PRO 102 Ca 0.56 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.45 1zts s PRO 102 Cb -0.21 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1zts s PRO 102 CO 0.68 -0.08 1.93 -0.25 0.04 0.00 0.00 177.00 179.33 1zts n ASP 103 N 1.31 3.48 -1.78 6.66 10.43 -1.26 -4.65 116.55 130.74 1zts n ASP 103 Ca 0.01 -2.77 -0.01 0.00 2.57 0.00 0.00 54.79 54.59 1zts n ASP 103 Cb 0.43 -1.56 0.29 0.00 1.84 0.00 0.00 41.12 42.12 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1zts n VAL 104 N 6.57 2.48 -0.07 2.53 0.24 -1.26 -4.37 118.33 124.45 1zts n VAL 104 Ca 0.48 -1.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.34 1zts n VAL 104 Cb 0.44 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.37 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 2.66 0.86 0.00 6.34 3.20 -1.99 -2.95 116.97 125.10 1zts h TYR 105 Ca 0.15 -0.30 -0.05 0.00 3.14 0.00 0.00 58.73 61.66 1zts h TYR 105 Cb 1.99 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 1zts h TYR 105 CO 1.04 1.07 -0.26 0.00 -1.64 0.00 0.00 178.16 178.38 1zts h ALA 106 N 0.64 1.06 0.19 1.82 0.00 -1.99 -1.48 119.26 119.50 1zts h ALA 106 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1zts h ALA 106 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1zts h ALA 106 CO 0.09 0.32 -0.09 -0.07 0.00 0.00 0.00 179.25 179.50 1zts h LEU 107 N 0.00 -0.22 -0.40 0.00 3.38 -1.82 -3.05 115.31 113.21 1zts h LEU 107 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1zts h LEU 107 Cb 0.73 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1zts h LEU 107 CO 0.03 0.18 0.00 2.30 0.09 0.00 0.00 178.44 181.05 1zts n ILE 108 N -5.03 0.04 0.32 1.22 -5.35 -1.12 -3.85 119.36 105.58 1zts n ILE 108 Ca -0.09 -0.11 0.19 0.00 -0.27 0.00 0.00 62.75 62.47 1zts n ILE 108 Cb 0.25 -0.08 1.03 0.00 -1.74 0.00 0.00 39.64 39.10 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 0.88 0.00 0.00 6.28 3.64 -1.15 0.26 116.57 126.48 1zts h LYS 109 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1zts h LYS 109 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1zts h LYS 109 CO 0.00 0.00 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.57 1zts h ASP 110 N 0.00 0.00 -1.04 4.20 5.19 -1.77 -3.31 116.42 119.70 1zts h ASP 110 Ca 0.01 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.93 1zts h ASP 110 Cb 0.27 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 39.36 1zts h ASP 110 CO -0.00 0.17 -0.89 -1.22 -3.12 0.00 0.00 179.24 174.18 1zts n TYR 111 N -3.15 2.54 -3.73 4.55 4.02 0.89 -4.98 117.16 117.29 1zts n TYR 111 Ca 0.03 -2.64 -0.37 0.00 -0.01 0.00 0.00 57.90 54.91 1zts n TYR 111 Cb 0.58 -0.23 -0.11 0.00 -0.02 0.00 0.00 39.34 39.56 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 -4.61 3.47 -0.39 -0.72 1.01 -0.96 -4.81 120.40 113.40 1zts s VAL 112 Ca 0.43 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 1zts s VAL 112 Cb 0.40 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1zts s VAL 112 CO -0.06 -0.70 0.51 1.17 0.00 0.00 0.00 175.10 176.02 1zts n LYS 113 N 4.66 -2.18 -0.59 2.72 3.00 -1.15 -4.99 118.16 119.63 1zts n LYS 113 Ca -0.03 1.84 -0.17 0.00 -0.00 0.00 0.00 58.31 59.95 1zts n LYS 113 Cb 0.41 -3.98 0.14 0.00 0.00 0.00 0.00 35.03 31.60 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zts n PRO 114 N -0.02 -2.25 -2.82 1.64 -0.04 -1.26 -5.05 135.00 125.20 1zts n PRO 114 Ca 0.02 -1.00 -0.11 0.00 -0.04 0.00 0.00 63.50 62.38 1zts n PRO 114 Cb 0.49 -0.94 0.06 0.00 -0.04 0.00 0.00 33.50 33.07 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 -4.08 1.10 -2.44 0.55 0.00 -1.26 -5.13 120.51 109.25 1zts n ALA 115 Ca -0.12 -2.15 -0.23 0.00 0.00 0.00 0.00 53.44 50.94 1zts n ALA 115 Cb 0.34 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.84 3.07 0.52 0.00 1.11 -1.26 -5.15 116.67 113.12 1zts s ASP 116 Ca 0.27 -0.92 0.00 0.00 0.18 0.00 0.00 52.55 52.08 1zts s ASP 116 Cb 0.36 -0.21 0.00 0.00 1.07 0.00 0.00 42.92 44.14 1zts s ASP 116 CO -0.05 0.01 0.00 -0.81 1.18 0.00 0.00 175.17 175.50 1zts n PRO 117 N 0.02 -0.06 -1.15 8.23 -0.04 -1.26 -4.85 135.00 135.90 1zts n PRO 117 Ca -0.11 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.19 1zts n PRO 117 Cb 0.58 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 -1.56 5.66 -0.03 3.54 -0.08 -1.26 -4.10 116.55 118.73 1zts n ASP 118 Ca 0.00 -2.72 0.05 0.00 -1.51 0.00 0.00 54.79 50.60 1zts n ASP 118 Cb 0.00 -1.35 -0.16 0.00 2.34 0.00 0.00 41.12 41.96 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zts n LEU 119 N 1.91 0.08 -4.26 -2.67 -0.00 -1.26 -4.93 117.00 105.88 1zts n LEU 119 Ca 0.44 0.03 -0.31 0.00 -0.00 0.00 0.00 56.01 56.17 1zts n LEU 119 Cb 0.78 0.14 0.18 0.00 -0.00 0.00 0.00 43.42 44.52 1zts n LEU 119 CO 0.19 0.14 -0.51 -0.62 -0.00 0.00 0.00 177.39 176.59 1zts n GLU 120 N -2.45 -1.74 -1.55 1.47 4.71 -1.26 -4.68 120.64 115.15 1zts n GLU 120 Ca -0.12 -0.49 -0.32 0.00 -0.01 0.00 0.00 57.16 56.22 1zts n GLU 120 Cb 0.75 -1.69 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1zts n GLY 121 N 2.06 0.07 3.09 0.62 0.00 -1.26 -4.91 105.19 104.86 1zts n GLY 121 Ca 0.01 0.61 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 12.44 0.93 -1.28 -0.61 1.01 -1.26 -4.61 121.20 127.81 1zts s ILE 122 Ca 1.00 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1zts s ILE 122 Cb -0.23 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1zts s ILE 122 CO 0.24 0.11 0.00 -0.62 0.00 0.00 0.00 174.94 174.67 1zts n GLU 123 N 2.37 -1.39 -0.10 2.79 1.02 -1.26 -4.82 120.64 119.24 1zts n GLU 123 Ca -0.16 0.90 -0.22 0.00 -0.02 0.00 0.00 57.16 57.67 1zts n GLU 123 Cb 0.56 -5.16 -0.12 0.00 -0.02 0.00 0.00 31.44 26.69 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 1.22 1.22 0.11 0.62 0.00 -1.26 -3.55 120.51 118.88 1zts n ALA 124 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1zts n ALA 124 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.27 0.00 0.00 0.00 3.64 -1.90 -3.24 116.57 114.80 1zts h LYS 125 Ca -0.56 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.69 1zts h LYS 125 Cb 1.82 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.62 1zts h LYS 125 CO -0.13 0.59 -0.77 0.28 -2.27 0.00 0.00 179.45 177.15 1zts h VAL 126 N 0.00 0.96 0.00 2.00 2.07 -1.95 -1.67 116.25 117.66 1zts h VAL 126 Ca -0.03 -2.41 -0.12 0.00 0.82 0.00 0.00 66.70 64.97 1zts h VAL 126 Cb 1.50 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 33.69 1zts h VAL 126 CO 0.08 0.54 -0.57 0.03 0.02 0.00 0.00 177.57 177.67 1zts h ARG 127 N 0.00 0.00 0.00 1.57 3.08 -1.60 -0.11 114.38 117.31 1zts h ARG 127 Ca -0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.73 1zts h ARG 127 Cb 1.50 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.50 1zts h ARG 127 CO 0.07 0.57 -1.96 0.00 -1.07 0.00 0.00 179.97 177.59 1zts n MET 128 N -3.67 0.66 0.11 0.04 0.00 -1.22 -4.20 117.12 108.83 1zts n MET 128 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 57.70 57.82 1zts n MET 128 Cb 0.61 -1.66 -0.01 0.00 0.00 0.00 0.00 33.22 32.16 1zts n MET 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1zts h ARG 129 N 0.00 0.00 -1.50 3.17 3.08 -1.30 -3.31 114.38 114.51 1zts h ARG 129 Ca -0.35 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.00 1zts h ARG 129 Cb 1.96 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.70 1zts h ARG 129 CO 0.05 0.51 0.61 0.45 -1.07 0.00 0.00 179.97 180.51 1zts n SER 130 N -3.18 7.00 -4.17 7.04 2.88 -0.06 -4.96 113.62 118.17 1zts n SER 130 Ca -0.00 -3.80 -0.18 0.00 -1.33 0.00 0.00 58.87 53.56 1zts n SER 130 Cb 0.77 -0.90 -0.12 0.00 -0.75 0.00 0.00 64.21 63.22 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1zts s ILE 131 N -5.01 1.08 0.00 2.46 2.07 -1.25 -4.93 121.20 115.62 1zts s ILE 131 Ca 0.56 -1.37 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 1zts s ILE 131 Cb 0.45 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.92 1zts s ILE 131 CO -0.22 -0.29 0.77 0.18 -1.91 0.00 0.00 174.94 173.47 1zts n LEU 132 N 1.13 0.00 0.00 8.50 4.77 -1.26 -4.99 117.00 125.16 1zts n LEU 132 Ca -0.20 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1zts n LEU 132 Cb 0.55 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1zts n LEU 132 CO 0.23 -0.27 0.00 -1.84 -1.33 0.00 0.00 177.39 174.17 1zts n GLU 133 N -1.51 0.00 -1.49 3.23 0.28 -1.26 -5.00 120.64 114.89 1zts n GLU 133 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1zts n GLU 133 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1zts n GLU 133 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1zts n HIS 134 N -1.57 0.02 -3.86 -1.84 -0.00 -1.26 -5.11 115.22 101.60 1zts n HIS 134 Ca 0.00 -0.53 -0.10 0.00 -0.00 0.00 0.00 57.72 57.09 1zts n HIS 134 Cb 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 29.99 29.90 1zts n HIS 134 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1zts s HIS 135 N -0.07 0.25 0.00 1.57 -3.43 -1.26 -5.08 115.29 107.26 1zts s HIS 135 Ca 0.31 -0.82 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 1zts s HIS 135 Cb 0.36 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 32.17 1zts s HIS 135 CO -0.15 -1.45 0.00 0.72 -2.00 0.00 0.00 174.74 171.85 1zts n HIS 136 N -0.52 0.00 -2.40 0.38 8.25 -1.26 -4.58 115.22 115.08 1zts n HIS 136 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.38 1zts n HIS 136 Cb 0.60 0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.78 1zts n HIS 136 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1zts n HIS 137 N -2.70 -0.14 -4.10 4.41 -0.00 -1.26 -5.06 115.22 106.37 1zts n HIS 137 Ca 0.00 -0.95 -0.12 0.00 0.46 0.00 0.00 57.72 57.10 1zts n HIS 137 Cb 0.41 0.34 -0.06 0.00 -0.12 0.00 0.00 29.99 30.56 1zts n HIS 137 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1zts s HIS 138 N -0.57 0.91 0.00 1.57 0.00 -1.26 -5.32 115.29 110.63 1zts s HIS 138 Ca 0.17 -1.16 0.00 0.00 -3.00 0.00 0.00 55.06 51.07 1zts s HIS 138 Cb 0.25 -0.17 0.00 0.00 -4.00 0.00 0.00 32.58 28.66 1zts s HIS 138 CO -0.08 -0.94 0.00 -2.39 -1.00 0.00 0.00 174.74 170.33