#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts n LEU 2 N 0.00 0.00 0.00 -0.89 0.00 -1.26 -4.93 117.00 109.92 1zts n LEU 2 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 56.01 56.92 1zts n LEU 2 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1zts n LEU 2 CO 0.00 -0.41 0.00 0.18 0.00 0.00 0.00 177.39 177.16 1zts n LEU 3 N -2.07 0.00 0.00 -1.96 4.77 -1.26 -5.14 117.00 111.33 1zts n LEU 3 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1zts n LEU 3 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1zts n LEU 3 CO 0.00 0.00 0.35 2.30 -1.33 0.00 0.00 177.39 178.71 1zts n ILE 4 N 0.00 0.00 -4.36 -0.08 -5.35 -1.26 -5.10 119.36 103.20 1zts n ILE 4 Ca 0.00 -0.37 -0.19 0.00 -0.27 0.00 0.00 62.75 61.92 1zts n ILE 4 Cb 0.00 -1.66 -0.10 0.00 -1.74 0.00 0.00 39.64 36.14 1zts n ILE 4 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zts s THR 5 N -2.16 1.77 0.28 7.28 -4.23 -1.26 -4.72 115.64 112.61 1zts s THR 5 Ca 0.32 -2.21 0.16 0.00 -1.18 0.00 0.00 61.69 58.77 1zts s THR 5 Cb -0.01 -2.11 0.11 0.00 1.34 0.00 0.00 72.50 71.83 1zts s THR 5 CO 0.22 -0.55 1.78 1.55 -0.54 0.00 0.00 174.62 177.09 1zts h PRO 6 N 2.51 0.00 -0.06 3.99 0.13 -1.89 -2.92 132.00 133.76 1zts h PRO 6 Ca -0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 1zts h PRO 6 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1zts h PRO 6 CO 0.62 0.39 -0.55 -0.44 -0.23 0.00 0.00 178.00 177.79 1zts h ASP 7 N 0.00 0.19 -0.10 1.44 3.45 -1.93 -3.07 116.42 116.40 1zts h ASP 7 Ca -0.00 -0.10 -0.13 0.00 0.43 0.00 0.00 57.03 57.22 1zts h ASP 7 Cb 0.79 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1zts h ASP 7 CO 0.05 0.71 -0.38 -0.08 -1.57 0.00 0.00 179.24 177.97 1zts h GLU 8 N 0.13 0.62 -0.28 3.56 4.22 -1.94 -2.38 114.58 118.52 1zts h GLU 8 Ca -0.00 -0.31 0.06 0.00 0.08 0.00 0.00 59.36 59.19 1zts h GLU 8 Cb 1.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 1zts h GLU 8 CO 0.08 0.90 -0.13 1.25 -2.18 0.00 0.00 179.01 178.93 1zts h LEU 9 N 0.52 -0.45 -0.94 1.64 5.85 -1.50 -0.58 115.31 119.84 1zts h LEU 9 Ca 0.05 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1zts h LEU 9 Cb 0.89 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1zts h LEU 9 CO 0.08 -0.17 -0.49 0.07 -0.34 0.00 0.00 178.44 177.59 1zts h LYS 10 N -0.09 0.00 -0.69 1.25 2.10 -1.62 0.27 116.57 117.79 1zts h LYS 10 Ca 0.15 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.75 1zts h LYS 10 Cb 0.31 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 1zts h LYS 10 CO -0.34 0.49 0.24 1.03 -2.00 0.00 0.00 179.45 178.87 1zts h SER 11 N 0.00 0.97 0.01 7.07 0.87 -0.65 -3.29 113.55 118.53 1zts h SER 11 Ca -0.00 -0.16 -0.29 0.00 -1.23 0.00 0.00 61.79 60.10 1zts h SER 11 Cb 0.93 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 1zts h SER 11 CO 0.06 0.89 -1.60 0.00 -0.53 0.00 0.00 176.83 175.65 1zts n TYR 12 N -4.27 0.81 -0.89 2.24 9.36 -0.36 -4.96 117.16 119.08 1zts n TYR 12 Ca 0.06 0.33 -0.33 0.00 3.32 0.00 0.00 57.90 61.27 1zts n TYR 12 Cb 0.20 -1.08 0.11 0.00 -0.63 0.00 0.00 39.34 37.94 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 -4.31 -1.71 -0.02 2.98 2.88 0.93 -4.95 113.62 109.42 1zts n SER 13 Ca -0.37 0.39 0.02 0.00 -1.33 0.00 0.00 58.87 57.58 1zts n SER 13 Cb 0.76 -1.23 -0.09 0.00 -0.75 0.00 0.00 64.21 62.90 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 -3.38 0.25 -1.68 2.46 0.24 -1.26 -4.84 118.33 110.12 1zts n VAL 14 Ca 0.08 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.34 61.62 1zts n VAL 14 Cb 0.53 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.07 2.55 0.22 6.34 3.72 -1.26 -4.86 117.46 122.11 1zts n PHE 15 Ca -0.07 -0.15 0.09 0.00 -0.05 0.00 0.00 57.45 57.27 1zts n PHE 15 Cb 0.49 -2.72 0.51 0.00 -0.94 0.00 0.00 39.48 36.81 1zts n PHE 15 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1zts h GLU 16 N 8.82 0.00 -0.68 -1.08 4.11 -1.97 -2.83 114.58 120.95 1zts h GLU 16 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 1zts h GLU 16 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1zts h GLU 16 CO 0.94 0.24 0.14 1.03 0.07 0.00 0.00 179.01 181.43 1zts h SER 17 N 0.00 1.04 0.67 3.06 0.87 -1.95 -2.06 113.55 115.18 1zts h SER 17 Ca -0.00 -0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 1zts h SER 17 Cb 0.63 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1zts h SER 17 CO 0.03 1.01 -0.80 0.58 -0.53 0.00 0.00 176.83 177.13 1zts h VAL 18 N 1.03 1.52 -0.00 2.23 2.07 -1.76 -2.95 116.25 118.39 1zts h VAL 18 Ca 0.21 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1zts h VAL 18 Cb 0.40 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1zts h VAL 18 CO 0.01 0.74 -0.00 0.29 0.02 0.00 0.00 177.57 178.63 1zts n LYS 19 N -3.66 0.96 0.00 1.57 5.02 -1.06 -2.89 118.16 118.11 1zts n LYS 19 Ca -0.02 -0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.29 1zts n LYS 19 Cb 0.76 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.30 1zts n LYS 19 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zts n THR 20 N -0.98 0.00 -3.20 -0.18 -2.24 -0.80 -5.00 114.28 101.89 1zts n THR 20 Ca 0.23 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 1zts n THR 20 Cb 0.14 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 1zts n THR 20 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1zts s ARG 21 N -1.33 3.68 0.06 -0.78 0.52 -1.14 -5.08 118.95 114.88 1zts s ARG 21 Ca 0.14 0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.49 1zts s ARG 21 Cb 0.11 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 33.03 1zts s ARG 21 CO 0.23 0.14 0.06 -0.35 0.02 0.00 0.00 175.30 175.40 1zts n PRO 22 N -1.02 -1.14 0.03 3.54 -0.04 -1.26 -4.77 135.00 130.34 1zts n PRO 22 Ca -0.00 -0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 1zts n PRO 22 Cb 0.54 -0.09 -0.13 0.00 -0.04 0.00 0.00 33.50 33.78 1zts n PRO 22 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zts h ASP 23 N -1.12 0.07 0.56 3.54 3.32 -1.99 -2.52 116.42 118.29 1zts h ASP 23 Ca -0.02 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 1zts h ASP 23 Cb 0.07 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1zts h ASP 23 CO 0.01 1.08 -0.68 1.05 -1.72 0.00 0.00 179.24 178.99 1zts h GLU 24 N 0.01 0.10 0.01 3.56 4.11 -2.00 -2.86 114.58 117.52 1zts h GLU 24 Ca -0.16 -0.08 -0.08 0.00 0.07 0.00 0.00 59.36 59.10 1zts h GLU 24 Cb 1.91 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1zts h GLU 24 CO 0.11 0.74 -0.45 -0.07 0.07 0.00 0.00 179.01 179.41 1zts h LEU 25 N 0.07 0.02 -0.70 3.06 3.38 -1.94 -3.04 115.31 116.16 1zts h LEU 25 Ca -0.01 -0.84 0.14 0.00 0.09 0.00 0.00 57.88 57.26 1zts h LEU 25 Cb 1.21 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 1zts h LEU 25 CO 0.10 1.18 0.20 -0.07 0.09 0.00 0.00 178.44 179.94 1zts h LEU 26 N -0.97 0.10 -0.62 1.67 3.38 -1.54 -0.18 115.31 117.16 1zts h LEU 26 Ca -0.12 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zts h LEU 26 Cb 1.13 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1zts h LEU 26 CO -0.06 0.02 -0.06 0.07 0.09 0.00 0.00 178.44 178.50 1zts h LYS 27 N 0.32 1.03 -0.78 1.13 2.10 -1.65 -2.74 116.57 115.98 1zts h LYS 27 Ca 0.39 -0.35 0.15 0.00 -2.00 0.00 0.00 60.65 58.83 1zts h LYS 27 Cb 0.62 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.81 1zts h LYS 27 CO -0.45 1.04 0.52 1.96 -2.00 0.00 0.00 179.45 180.52 1zts h GLN 28 N 0.93 0.45 0.00 0.07 4.20 -0.92 0.26 115.11 120.10 1zts h GLN 28 Ca 0.15 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.65 1zts h GLN 28 Cb 0.62 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1zts h GLN 28 CO 0.04 0.30 -0.88 -0.44 -0.67 0.00 0.00 178.83 177.18 1zts h ASP 29 N 0.46 0.06 0.02 1.46 3.45 -1.13 -2.88 116.42 117.86 1zts h ASP 29 Ca 0.38 -0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.79 1zts h ASP 29 Cb 0.83 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1zts h ASP 29 CO -0.13 0.90 -0.01 0.40 -1.57 0.00 0.00 179.24 178.83 1zts h ILE 30 N 0.02 1.44 -0.04 0.35 2.04 -0.59 -2.58 117.51 118.15 1zts h ILE 30 Ca -0.02 -1.70 0.01 0.00 1.00 0.00 0.00 64.86 64.15 1zts h ILE 30 Cb 1.53 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 40.16 1zts h ILE 30 CO 0.12 0.42 0.03 -0.07 0.00 0.00 0.00 178.15 178.65 1zts h LEU 31 N -0.81 0.00 -0.01 1.44 3.38 -0.73 -0.15 115.31 118.43 1zts h LEU 31 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zts h LEU 31 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1zts h LEU 31 CO 0.01 0.00 -0.45 -0.08 0.09 0.00 0.00 178.44 178.00 1zts h GLU 32 N 0.00 0.00 -0.13 1.13 4.57 -1.54 -3.30 114.58 115.32 1zts h GLU 32 Ca 0.02 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 1zts h GLU 32 Cb 0.08 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1zts h GLU 32 CO -0.00 0.45 -0.58 0.00 -1.18 0.00 0.00 179.01 177.70 1zts h ALA 33 N 1.55 0.24 -0.09 2.92 0.00 -0.61 -3.09 119.26 120.17 1zts h ALA 33 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1zts h ALA 33 Cb 1.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1zts h ALA 33 CO 0.06 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.99 1zts h THR 34 N 0.26 0.21 -0.02 0.00 1.03 -1.52 0.12 112.91 112.99 1zts h THR 34 Ca -0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.22 1zts h THR 34 Cb 1.22 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 69.10 1zts h THR 34 CO 0.12 0.00 -0.63 0.00 -0.01 0.00 0.00 175.52 175.00 1zts h ALA 35 N 1.69 0.92 0.01 0.00 0.00 -1.65 -2.38 119.26 117.84 1zts h ALA 35 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1zts h ALA 35 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1zts h ALA 35 CO -0.00 0.77 -0.16 0.22 0.00 0.00 0.00 179.25 180.09 1zts h ASP 36 N 0.05 0.12 0.06 0.00 -0.00 -0.88 -2.83 116.42 112.94 1zts h ASP 36 Ca -0.01 -0.85 0.01 0.00 -0.00 0.00 0.00 57.03 56.19 1zts h ASP 36 Cb 1.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 40.40 1zts h ASP 36 CO 0.09 0.95 -0.10 0.40 -0.00 0.00 0.00 179.24 180.58 1zts h ILE 37 N -0.70 0.77 -0.55 2.25 2.04 -1.54 -2.23 117.51 117.55 1zts h ILE 37 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1zts h ILE 37 Cb 0.99 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1zts h ILE 37 CO 0.03 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.95 1zts h ILE 38 N -0.19 1.04 0.00 -0.67 2.04 -1.56 -0.11 117.51 118.07 1zts h ILE 38 Ca 0.02 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1zts h ILE 38 Cb 0.21 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1zts h ILE 38 CO -0.06 0.11 -0.02 -0.07 0.00 0.00 0.00 178.15 178.11 1zts h LEU 39 N 0.60 0.00 0.06 1.44 3.38 -1.14 0.29 115.31 119.95 1zts h LEU 39 Ca 0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 1zts h LEU 39 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1zts h LEU 39 CO -0.06 0.02 -0.72 0.11 0.09 0.00 0.00 178.44 177.88 1zts h LYS 40 N 0.00 0.13 0.00 1.13 1.57 -0.84 -3.31 116.57 115.26 1zts h LYS 40 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1zts h LYS 40 Cb 0.09 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1zts h LYS 40 CO 0.00 1.11 0.00 1.33 -0.57 0.00 0.00 179.45 181.32 1zts n VAL 41 N -4.30 0.03 -2.49 0.50 0.24 -0.99 -4.70 118.33 106.62 1zts n VAL 41 Ca -0.18 0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 1zts n VAL 41 Cb 0.69 -0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1zts n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1zts n GLY 42 N 1.20 -0.50 3.33 7.63 0.00 0.98 -4.61 105.19 113.21 1zts n GLY 42 Ca 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.72 -0.60 0.52 1.61 3.76 -1.15 -5.05 115.29 111.67 1zts s HIS 43 Ca 0.03 1.33 0.07 0.00 -0.15 0.00 0.00 55.06 56.33 1zts s HIS 43 Cb -0.01 0.26 0.03 0.00 1.11 0.00 0.00 32.58 33.97 1zts s HIS 43 CO 0.03 -0.32 0.46 0.16 -0.85 0.00 0.00 174.74 174.22 1zts s ASP 44 N 1.01 4.77 -0.54 1.40 3.84 -1.26 -4.72 116.67 121.18 1zts s ASP 44 Ca -0.06 -1.09 0.06 0.00 -0.00 0.00 0.00 52.55 51.46 1zts s ASP 44 Cb -0.06 0.19 0.34 0.00 -1.38 0.00 0.00 42.92 42.01 1zts s ASP 44 CO -0.09 -1.05 0.91 0.49 -0.00 0.00 0.00 175.17 175.43 1zts n PHE 45 N -1.79 3.31 0.05 2.11 3.01 -1.26 -4.85 117.46 118.05 1zts n PHE 45 Ca 0.02 -3.97 -0.20 0.00 1.01 0.00 0.00 57.45 54.31 1zts n PHE 45 Cb 0.63 -0.48 -0.15 0.00 -0.01 0.00 0.00 39.48 39.48 1zts n PHE 45 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1zts h SER 46 N 3.00 0.50 -1.42 4.37 0.02 -1.98 -3.44 113.55 114.60 1zts h SER 46 Ca 0.12 -0.94 -0.67 0.00 -0.84 0.00 0.00 61.79 59.46 1zts h SER 46 Cb 0.59 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1zts h SER 46 CO 0.76 1.41 1.25 0.47 -1.14 0.00 0.00 176.83 179.58 1zts n ASP 47 N -4.10 2.52 0.26 3.07 8.00 -1.26 -4.79 116.55 120.25 1zts n ASP 47 Ca -0.14 0.65 0.18 0.00 0.71 0.00 0.00 54.79 56.19 1zts n ASP 47 Cb 0.84 -1.28 0.92 0.00 -0.02 0.00 0.00 41.12 41.58 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 10.83 1.54 -0.60 2.24 0.00 -2.02 0.15 119.26 131.40 1zts h ALA 48 Ca -0.36 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1zts h ALA 48 Cb 1.31 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1zts h ALA 48 CO 0.99 -0.22 0.24 -0.85 0.00 0.00 0.00 179.25 179.41 1zts n GLU 49 N -3.50 3.03 -2.70 0.00 -0.00 -1.26 -4.33 120.64 111.89 1zts n GLU 49 Ca -0.00 -2.36 -0.06 0.00 -0.00 0.00 0.00 57.16 54.73 1zts n GLU 49 Cb 0.26 -2.00 0.09 0.00 -0.00 0.00 0.00 31.44 29.79 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1zts n TYR 50 N -0.11 -1.73 -3.39 -1.84 4.19 0.52 -5.06 117.16 109.75 1zts n TYR 50 Ca 0.33 -1.48 -0.32 0.00 3.31 0.00 0.00 57.90 59.74 1zts n TYR 50 Cb 1.18 1.43 -0.06 0.00 0.49 0.00 0.00 39.34 42.38 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1zts n ILE 51 N 0.21 3.10 -2.26 2.97 5.41 -1.22 -4.63 119.36 122.93 1zts n ILE 51 Ca -0.02 -5.36 -0.35 0.00 1.00 0.00 0.00 62.75 58.02 1zts n ILE 51 Cb 0.73 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 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 -2.35 3.41 -0.45 0.38 0.04 -1.26 -5.03 135.00 129.75 1zts s PRO 52 Ca 0.35 1.63 0.05 0.00 0.04 0.00 0.00 61.00 63.07 1zts s PRO 52 Cb 0.08 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.74 1zts s PRO 52 CO -0.01 -0.80 0.49 -1.17 0.04 0.00 0.00 177.00 175.54 1zts s LEU 53 N -3.69 0.22 0.00 -3.56 2.96 -1.26 -5.07 118.68 108.28 1zts s LEU 53 Ca 0.72 -2.45 -0.02 0.00 -0.22 0.00 0.00 54.13 52.16 1zts s LEU 53 Cb -0.24 0.51 0.02 0.00 0.50 0.00 0.00 46.19 46.98 1zts s LEU 53 CO 0.28 -0.13 0.09 -0.81 -1.32 0.00 0.00 176.35 174.45 1zts n PRO 54 N 3.01 -1.20 0.10 0.98 -0.04 -1.26 -4.91 135.00 131.68 1zts n PRO 54 Ca 0.24 -0.14 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1zts n PRO 54 Cb 0.51 -0.13 -0.01 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.09 0.54 4.81 -2.00 -3.25 114.58 114.60 1zts h GLU 55 Ca -0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1zts h GLU 55 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1zts h GLU 55 CO 0.02 0.40 -0.15 1.79 -0.73 0.00 0.00 179.01 180.34 1zts h THR 56 N 0.00 1.40 -0.66 0.32 1.35 -1.93 -2.90 112.91 110.49 1zts h THR 56 Ca -0.06 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1zts h THR 56 Cb 1.43 2.13 -0.03 0.00 -1.73 0.00 0.00 68.15 69.95 1zts h THR 56 CO 0.06 0.40 0.43 0.58 -0.25 0.00 0.00 175.52 176.74 1zts h VAL 57 N -0.21 1.18 -0.75 6.82 2.07 -1.85 0.19 116.25 123.69 1zts h VAL 57 Ca 0.01 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1zts h VAL 57 Cb 0.72 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1zts h VAL 57 CO 0.03 0.17 0.45 -0.09 0.02 0.00 0.00 177.57 178.16 1zts h ARG 58 N 0.90 0.82 0.04 1.57 2.43 -1.59 0.17 114.38 118.72 1zts h ARG 58 Ca 0.24 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1zts h ARG 58 Cb -0.09 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1zts h ARG 58 CO -0.05 0.54 -0.02 1.25 -1.51 0.00 0.00 179.97 180.18 1zts h LEU 59 N 0.84 -0.05 -0.77 3.80 5.85 -1.24 -1.68 115.31 122.08 1zts h LEU 59 Ca 0.32 -0.58 0.14 0.00 0.84 0.00 0.00 57.88 58.60 1zts h LEU 59 Cb 0.13 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1zts h LEU 59 CO -0.16 0.59 0.31 0.00 -0.34 0.00 0.00 178.44 178.85 1zts h ALA 60 N 0.17 1.09 -0.30 1.25 0.00 -0.48 -0.25 119.26 120.75 1zts h ALA 60 Ca -0.01 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1zts h ALA 60 Cb 0.62 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1zts h ALA 60 CO 0.01 -0.20 -0.41 1.25 0.00 0.00 0.00 179.25 179.90 1zts h LEU 61 N 0.46 0.87 -1.20 0.00 7.12 -1.02 -2.17 115.31 119.37 1zts h LEU 61 Ca 0.42 -0.50 0.06 0.00 0.13 0.00 0.00 57.88 57.99 1zts h LEU 61 Cb 0.64 -0.25 -0.06 0.00 -0.53 0.00 0.00 40.66 40.47 1zts h LEU 61 CO -0.40 1.20 0.56 -0.07 -0.13 0.00 0.00 178.44 179.60 1zts h LEU 62 N 0.56 0.86 -0.07 2.25 3.38 -0.23 0.26 115.31 122.32 1zts h LEU 62 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1zts h LEU 62 Cb 1.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1zts h LEU 62 CO 0.10 0.55 -0.26 0.11 0.09 0.00 0.00 178.44 179.03 1zts h LYS 63 N 0.97 0.29 -0.75 1.13 1.79 -1.02 -3.02 116.57 115.96 1zts h LYS 63 Ca 0.37 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1zts h LYS 63 Cb 0.20 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1zts h LYS 63 CO -0.13 0.86 0.38 -0.07 -1.08 0.00 0.00 179.45 179.41 1zts h LEU 64 N -0.21 0.97 -0.74 2.94 3.38 -0.95 -2.10 115.31 118.60 1zts h LEU 64 Ca -0.01 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1zts h LEU 64 Cb 0.90 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1zts h LEU 64 CO 0.05 0.82 0.43 0.77 0.09 0.00 0.00 178.44 180.60 1zts h SER 65 N 1.05 0.66 -0.24 -0.43 4.64 -0.54 -1.51 113.55 117.18 1zts h SER 65 Ca 0.26 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1zts h SER 65 Cb 0.09 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1zts h SER 65 CO -0.04 0.42 -0.20 -0.61 -0.87 0.00 0.00 176.83 175.54 1zts h GLN 66 N 0.79 0.69 0.06 4.77 -0.00 -1.34 0.19 115.11 120.27 1zts h GLN 66 Ca 0.33 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1zts h GLN 66 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.62 1zts h GLN 66 CO -0.18 0.84 -0.03 0.35 0.00 0.00 0.00 178.83 179.81 1zts h PHE 67 N 0.61 -0.08 -0.01 3.99 3.04 -0.64 -0.67 116.94 123.19 1zts h PHE 67 Ca 0.09 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1zts h PHE 67 Cb 0.67 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1zts h PHE 67 CO 0.03 0.02 -0.03 1.88 -2.02 0.00 0.00 178.31 178.18 1zts h TYR 68 N -0.16 0.06 -0.42 0.41 0.05 -1.26 -2.90 116.97 112.74 1zts h TYR 68 Ca -0.01 -0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.87 1zts h TYR 68 Cb 0.13 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1zts h TYR 68 CO -0.05 0.66 0.38 0.00 -1.05 0.00 0.00 178.16 178.10 1zts h ALA 69 N 0.39 2.21 -0.01 3.88 0.00 -0.65 0.13 119.26 125.21 1zts h ALA 69 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1zts h ALA 69 Cb 0.66 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1zts h ALA 69 CO 0.01 -0.60 -0.40 1.25 0.00 0.00 0.00 179.25 179.51 1zts h LEU 70 N 0.00 0.37 -3.36 0.00 5.85 -1.06 -3.25 115.31 113.85 1zts h LEU 70 Ca 0.20 -0.75 -0.26 0.00 0.84 0.00 0.00 57.88 57.91 1zts h LEU 70 Cb 0.97 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.73 1zts h LEU 70 CO -0.00 1.07 0.33 2.30 -0.34 0.00 0.00 178.44 181.79 1zts n ILE 71 N -4.38 2.53 -0.02 4.05 -5.35 -0.41 -3.94 119.36 111.84 1zts n ILE 71 Ca -0.10 -1.35 -0.03 0.00 -0.27 0.00 0.00 62.75 61.00 1zts n ILE 71 Cb 0.57 -0.49 -0.12 0.00 -1.74 0.00 0.00 39.64 37.86 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 -0.32 0.56 0.00 7.28 2.85 0.31 -4.88 115.26 121.06 1zts n ASN 72 Ca 0.38 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 55.10 1zts n ASN 72 Cb 1.27 0.52 0.00 0.00 1.24 0.00 0.00 39.78 42.80 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 1.50 -1.82 0.00 8.20 0.00 -1.26 -5.01 105.19 106.81 1zts n GLY 73 Ca -0.16 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.00 0.01 1.61 4.64 -1.25 -5.06 116.55 116.49 1zts n ASP 74 Ca 0.00 0.24 0.00 0.00 -1.38 0.00 0.00 54.79 53.65 1zts n ASP 74 Cb 0.00 -0.25 0.00 0.00 -1.04 0.00 0.00 41.12 39.83 1zts n ASP 74 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 1zts n GLU 75 N -1.29 0.00 -1.23 -0.67 4.07 -1.26 -4.97 120.64 115.28 1zts n GLU 75 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1zts n GLU 75 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 1zts n GLU 75 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1zts n SER 76 N -2.99 6.89 -3.86 4.31 2.88 -1.26 -4.84 113.62 114.76 1zts n SER 76 Ca 0.00 -3.35 -0.27 0.00 -1.33 0.00 0.00 58.87 53.92 1zts n SER 76 Cb 0.00 -1.08 -0.17 0.00 -0.75 0.00 0.00 64.21 62.21 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 -3.19 0.90 -1.12 2.46 1.01 -1.26 -3.68 121.20 116.32 1zts s ILE 77 Ca 0.48 -0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 1zts s ILE 77 Cb 0.36 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 1zts s ILE 77 CO -0.09 0.17 1.91 -0.63 0.00 0.00 0.00 174.94 176.30 1zts s ILE 78 N 1.73 3.57 -0.30 2.92 -1.09 -1.26 -4.80 121.20 121.98 1zts s ILE 78 Ca 0.02 -0.86 -0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1zts s ILE 78 Cb -0.14 -4.49 0.13 0.00 -1.58 0.00 0.00 42.46 36.38 1zts s ILE 78 CO -0.07 -1.08 0.28 -0.75 -1.23 0.00 0.00 174.94 172.09 1zts s LYS 79 N 6.40 0.35 -0.29 2.79 2.36 -1.26 -4.55 119.74 125.53 1zts s LYS 79 Ca 0.67 -0.29 -0.15 0.00 -2.55 0.00 0.00 55.97 53.66 1zts s LYS 79 Cb -0.02 -0.73 0.11 0.00 -1.05 0.00 0.00 37.83 36.15 1zts s LYS 79 CO 0.09 -1.05 0.78 0.20 1.55 0.00 0.00 175.35 176.92 1zts s GLY 80 N 2.21 -0.46 0.14 5.54 0.00 -1.26 -4.87 107.32 108.62 1zts s GLY 80 Ca 0.10 2.64 -0.05 0.00 0.00 0.00 0.00 44.72 47.42 1zts s GLY 80 CO -0.30 2.67 0.27 2.98 0.00 0.00 0.00 173.10 178.73 1zts n TYR 81 N 4.47 -1.41 -2.53 1.90 9.36 -1.26 -5.08 117.16 122.62 1zts n TYR 81 Ca -0.17 -0.70 -0.13 0.00 3.32 0.00 0.00 57.90 60.22 1zts n TYR 81 Cb 0.56 0.32 0.03 0.00 -0.63 0.00 0.00 39.34 39.62 1zts n TYR 81 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1zts n THR 82 N -0.20 1.71 -4.39 2.97 -1.04 -1.26 -5.06 114.28 107.03 1zts n THR 82 Ca -0.03 -3.61 -0.20 0.00 -2.04 0.00 0.00 64.05 58.17 1zts n THR 82 Cb 0.22 0.11 -0.15 0.00 -1.82 0.00 0.00 70.33 68.68 1zts n THR 82 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1zts s THR 83 N -4.14 0.77 -0.29 12.58 -4.23 -1.26 -5.09 115.64 113.98 1zts s THR 83 Ca 0.37 -0.36 -0.32 0.00 -1.18 0.00 0.00 61.69 60.20 1zts s THR 83 Cb 0.39 -0.69 -0.09 0.00 1.34 0.00 0.00 72.50 73.45 1zts s THR 83 CO -0.03 0.24 2.21 -0.62 -0.54 0.00 0.00 174.62 175.88 1zts n GLU 84 N 3.27 1.46 -1.51 3.99 1.02 -1.26 -4.29 120.64 123.32 1zts n GLU 84 Ca -0.18 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1zts n GLU 84 Cb 0.54 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 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 8.45 -3.99 0.00 3.49 4.81 -1.26 -5.05 118.16 124.61 1zts n LYS 85 Ca 0.36 2.92 0.00 0.00 -0.87 0.00 0.00 58.31 60.72 1zts n LYS 85 Cb 0.33 -3.10 0.00 0.00 0.02 0.00 0.00 35.03 32.27 1zts n LYS 85 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1zts n ILE 86 N 0.81 0.00 -0.96 3.15 2.08 -1.26 -5.07 119.36 118.11 1zts n ILE 86 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1zts n ILE 86 Cb 0.00 -0.47 0.00 0.00 -0.75 0.00 0.00 39.64 38.42 1zts n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1zts n GLY 87 N 2.92 0.58 0.01 7.39 0.00 -1.26 -5.12 105.19 109.71 1zts n GLY 87 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.57 1.30 -1.03 1.61 2.03 -1.26 -5.06 116.55 113.57 1zts n ASP 88 Ca 0.00 -1.01 -0.03 0.00 0.52 0.00 0.00 54.79 54.28 1zts n ASP 88 Cb 0.26 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.83 1zts n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zts n TYR 89 N -0.36 0.83 -1.73 -0.67 4.19 -1.26 -4.72 117.16 113.44 1zts n TYR 89 Ca -0.00 -1.68 -0.30 0.00 3.31 0.00 0.00 57.90 59.22 1zts n TYR 89 Cb 0.00 -0.36 0.05 0.00 0.49 0.00 0.00 39.34 39.51 1zts n TYR 89 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1zts n SER 90 N -1.05 6.36 -1.85 2.98 2.88 -1.26 -4.65 113.62 117.03 1zts n SER 90 Ca 0.28 -3.77 -0.09 0.00 -1.33 0.00 0.00 58.87 53.96 1zts n SER 90 Cb 0.84 -0.69 0.23 0.00 -0.75 0.00 0.00 64.21 63.83 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1zts n TYR 91 N -0.78 2.16 -1.69 0.66 0.53 -1.26 -4.04 117.16 112.75 1zts n TYR 91 Ca 0.53 -1.17 -0.52 0.00 -1.02 0.00 0.00 57.90 55.73 1zts n TYR 91 Cb 0.75 -0.66 -0.06 0.00 -1.03 0.00 0.00 39.34 38.35 1zts n TYR 91 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 1zts n THR 92 N -0.26 0.48 -1.47 -0.72 -1.04 -1.26 -4.65 114.28 105.35 1zts n THR 92 Ca 0.38 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.99 1zts n THR 92 Cb 1.28 -1.66 0.22 0.00 -1.82 0.00 0.00 70.33 68.35 1zts n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1zts s LEU 93 N 4.03 1.60 0.43 -4.42 1.43 -1.18 -4.22 118.68 116.35 1zts s LEU 93 Ca 0.95 0.42 0.24 0.00 -1.03 0.00 0.00 54.13 54.71 1zts s LEU 93 Cb -0.82 -2.26 0.89 0.00 0.03 0.00 0.00 46.19 44.03 1zts s LEU 93 CO 0.57 -3.56 1.81 1.23 0.23 0.00 0.00 176.35 176.63 1zts h GLY 94 N -2.20 0.00 -3.30 -3.19 0.00 -1.91 -2.85 103.07 89.62 1zts h GLY 94 Ca -0.44 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.68 1zts h GLY 94 CO 0.34 0.00 0.27 1.34 0.00 0.00 0.00 176.54 178.49 1zts n ASP 95 N -3.39 4.13 -2.22 0.19 2.03 -1.26 -4.88 116.55 111.15 1zts n ASP 95 Ca 0.00 -3.01 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 1zts n ASP 95 Cb 0.44 -0.71 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zts n GLY 96 N -0.18 -0.14 3.75 0.27 0.00 -1.08 -4.92 105.19 102.89 1zts n GLY 96 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.04 6.57 -1.27 1.61 0.01 -1.26 -4.90 113.70 112.42 1zts s SER 97 Ca 0.00 0.68 -0.16 0.00 1.31 0.00 0.00 55.95 57.78 1zts s SER 97 Cb 0.00 -2.22 0.11 0.00 0.21 0.00 0.00 66.02 64.12 1zts s SER 97 CO 0.00 0.12 1.64 -1.54 0.41 0.00 0.00 173.24 173.87 1zts n SER 98 N 3.23 5.03 -4.69 2.44 3.41 -1.26 -3.11 113.62 118.68 1zts n SER 98 Ca -0.11 -2.94 -0.52 0.00 -0.26 0.00 0.00 58.87 55.04 1zts n SER 98 Cb 0.52 -1.67 -0.06 0.00 -0.26 0.00 0.00 64.21 62.74 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 7.16 2.90 -4.64 1.04 7.94 -1.26 -4.96 117.00 125.18 1zts n LEU 99 Ca 0.44 1.03 -0.23 0.00 -1.11 0.00 0.00 56.01 56.14 1zts n LEU 99 Cb 0.44 -1.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.04 1zts n LEU 99 CO 0.72 -0.28 -0.33 0.00 -1.11 0.00 0.00 177.39 176.39 1zts s GLN 100 N 3.37 2.24 0.23 1.96 -2.07 -1.26 -5.03 119.66 119.10 1zts s GLN 100 Ca 0.93 -1.48 -0.31 0.00 -1.82 0.00 0.00 55.36 52.69 1zts s GLN 100 Cb -0.85 -2.12 -0.14 0.00 -1.09 0.00 0.00 33.01 28.81 1zts s GLN 100 CO 0.55 0.33 1.26 1.17 -1.32 0.00 0.00 175.29 177.28 1zts n LYS 101 N -0.90 1.65 -2.20 9.60 3.00 -1.26 -4.89 118.16 123.16 1zts n LYS 101 Ca -0.06 0.59 -0.42 0.00 -0.00 0.00 0.00 58.31 58.42 1zts n LYS 101 Cb 0.59 -2.14 -0.03 0.00 0.00 0.00 0.00 35.03 33.45 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1zts s PRO 102 N -0.67 4.32 -0.80 1.64 0.04 -1.26 -4.91 135.00 133.36 1zts s PRO 102 Ca 0.68 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.49 1zts s PRO 102 Cb -0.72 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.40 1zts s PRO 102 CO 0.53 -0.46 2.16 -0.51 0.04 0.00 0.00 177.00 178.76 1zts s ASP 103 N 1.31 4.58 -0.12 6.66 -0.00 -1.26 -4.65 116.67 123.20 1zts s ASP 103 Ca 0.64 -0.15 0.15 0.00 -0.00 0.00 0.00 52.55 53.19 1zts s ASP 103 Cb -0.35 -2.55 0.27 0.00 -0.00 0.00 0.00 42.92 40.29 1zts s ASP 103 CO 0.29 -3.19 1.14 1.33 -0.00 0.00 0.00 175.17 174.74 1zts n VAL 104 N 8.20 1.58 0.05 -1.27 0.24 -1.26 -4.79 118.33 121.08 1zts n VAL 104 Ca 0.41 -2.02 -0.12 0.00 -2.04 0.00 0.00 64.34 60.57 1zts n VAL 104 Cb 0.46 -0.08 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 0.18 -0.16 -0.19 6.34 5.03 -1.99 -2.98 116.97 123.19 1zts h TYR 105 Ca -0.01 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.35 1zts h TYR 105 Cb 1.09 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 1zts h TYR 105 CO 0.13 0.30 0.24 0.00 -1.32 0.00 0.00 178.16 177.51 1zts h ALA 106 N -0.01 1.78 0.14 1.82 0.00 -1.99 0.25 119.26 121.26 1zts h ALA 106 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1zts h ALA 106 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zts h ALA 106 CO 0.03 -0.34 -0.07 -0.07 0.00 0.00 0.00 179.25 178.80 1zts h LEU 107 N 0.00 -0.16 0.00 0.00 3.38 -1.88 -3.18 115.31 113.47 1zts h LEU 107 Ca 0.09 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1zts h LEU 107 Cb 0.57 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1zts h LEU 107 CO -0.00 0.34 0.00 2.30 0.09 0.00 0.00 178.44 181.17 1zts n ILE 108 N -4.94 0.09 0.09 1.22 -5.35 -0.79 -3.60 119.36 106.08 1zts n ILE 108 Ca -0.08 0.02 0.20 0.00 -0.27 0.00 0.00 62.75 62.62 1zts n ILE 108 Cb 0.27 -0.55 0.72 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.00 0.00 -0.31 6.28 3.11 -0.50 0.17 116.57 125.32 1zts h LYS 109 Ca 0.00 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 57.93 1zts h LYS 109 Cb 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1zts h LYS 109 CO 0.00 0.00 0.33 -0.44 -2.81 0.00 0.00 179.45 176.53 1zts h ASP 110 N 0.00 0.00 -0.69 4.20 5.19 -1.76 -2.58 116.42 120.78 1zts h ASP 110 Ca 0.20 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.31 1zts h ASP 110 Cb 1.22 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.33 1zts h ASP 110 CO -0.00 0.00 -1.15 0.00 -3.12 0.00 0.00 179.24 174.97 1zts n TYR 111 N -3.80 1.23 -4.85 4.55 0.18 0.58 -5.09 117.16 109.95 1zts n TYR 111 Ca 0.05 -2.43 -0.33 0.00 1.88 0.00 0.00 57.90 57.07 1zts n TYR 111 Cb 0.48 -0.30 -0.13 0.00 -0.38 0.00 0.00 39.34 39.02 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1zts s VAL 112 N -3.52 3.12 -0.83 -3.48 1.01 -0.98 -4.82 120.40 110.91 1zts s VAL 112 Ca 0.27 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1zts s VAL 112 Cb 0.38 -2.23 0.21 0.00 0.00 0.00 0.00 36.38 34.74 1zts s VAL 112 CO -0.01 0.58 0.71 -0.75 0.00 0.00 0.00 175.10 175.64 1zts s LYS 113 N -0.78 3.16 0.51 2.72 2.20 -1.26 -4.99 119.74 121.30 1zts s LYS 113 Ca 0.12 -3.05 -0.21 0.00 -0.36 0.00 0.00 55.97 52.47 1zts s LYS 113 Cb -0.11 -3.95 -0.07 0.00 -1.51 0.00 0.00 37.83 32.19 1zts s LYS 113 CO 0.01 -1.24 1.15 -1.25 -0.36 0.00 0.00 175.35 173.65 1zts s PRO 114 N -0.95 3.54 -0.73 4.03 0.04 -1.26 -5.01 135.00 134.66 1zts s PRO 114 Ca 0.24 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1zts s PRO 114 Cb -0.11 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.43 1zts s PRO 114 CO -0.10 -0.71 0.57 0.00 0.04 0.00 0.00 177.00 176.80 1zts s ALA 115 N -1.67 3.85 0.79 8.56 0.00 -1.26 -5.08 121.76 126.95 1zts s ALA 115 Ca 0.69 -3.52 -0.11 0.00 0.00 0.00 0.00 51.96 49.02 1zts s ALA 115 Cb -0.26 -2.70 0.07 0.00 0.00 0.00 0.00 23.12 20.23 1zts s ALA 115 CO 0.30 -2.13 1.10 -0.51 0.00 0.00 0.00 175.76 174.53 1zts s ASP 116 N 0.23 4.27 0.49 0.00 -0.00 -1.26 -5.05 116.67 115.36 1zts s ASP 116 Ca 0.21 1.89 0.00 0.00 -0.00 0.00 0.00 52.55 54.65 1zts s ASP 116 Cb -0.14 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1zts s ASP 116 CO -0.07 -2.19 0.00 -0.81 -0.00 0.00 0.00 175.17 172.09 1zts n PRO 117 N -3.60 -0.00 -1.09 8.23 -0.04 -1.26 -4.83 135.00 132.41 1zts n PRO 117 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 1zts n PRO 117 Cb 0.53 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.85 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 6.00 -0.00 3.54 2.03 -1.26 -4.01 116.55 121.35 1zts n ASP 118 Ca 0.00 -2.53 0.08 0.00 0.52 0.00 0.00 54.79 52.86 1zts n ASP 118 Cb 0.00 -1.44 -0.12 0.00 -0.72 0.00 0.00 41.12 38.84 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zts n LEU 119 N 2.64 0.34 0.00 -2.67 -0.00 -1.26 -4.99 117.00 111.06 1zts n LEU 119 Ca 0.50 -0.22 -0.18 0.00 -0.00 0.00 0.00 56.01 56.12 1zts n LEU 119 Cb 0.77 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.36 1zts n LEU 119 CO 0.28 0.09 0.20 -0.62 -0.00 0.00 0.00 177.39 177.33 1zts n GLU 120 N -1.79 -3.38 -1.64 1.47 4.71 -1.26 -4.79 120.64 113.97 1zts n GLU 120 Ca -0.00 -0.84 -0.45 0.00 -0.01 0.00 0.00 57.16 55.86 1zts n GLU 120 Cb 0.36 -1.14 -0.04 0.00 -1.01 0.00 0.00 31.44 29.62 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 -3.19 1.50 3.06 0.62 0.00 -1.26 -4.96 105.19 100.96 1zts n GLY 121 Ca 0.08 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 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 5.25 0.03 -1.29 -0.61 1.01 -1.26 -4.83 121.20 119.50 1zts s ILE 122 Ca 0.94 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1zts s ILE 122 Cb -0.53 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1zts s ILE 122 CO 0.44 -0.14 0.00 -0.62 0.00 0.00 0.00 174.94 174.62 1zts n GLU 123 N 2.43 -1.38 -0.11 2.79 1.02 -1.26 -4.83 120.64 119.30 1zts n GLU 123 Ca -0.16 0.90 -0.24 0.00 -0.02 0.00 0.00 57.16 57.64 1zts n GLU 123 Cb 0.58 -5.16 -0.11 0.00 -0.02 0.00 0.00 31.44 26.72 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1zts n ALA 124 N 1.23 1.16 0.09 0.62 0.00 -1.26 -4.33 120.51 118.01 1zts n ALA 124 Ca -0.12 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.29 1zts n ALA 124 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.60 0.16 -0.93 0.00 3.64 -1.94 -3.24 116.57 113.66 1zts h LYS 125 Ca -0.58 -0.19 0.14 0.00 -1.27 0.00 0.00 60.65 58.75 1zts h LYS 125 Cb 1.69 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.49 1zts h LYS 125 CO -0.24 0.96 0.59 0.28 -2.27 0.00 0.00 179.45 178.78 1zts h VAL 126 N 0.08 0.84 0.00 2.00 2.07 -1.96 0.34 116.25 119.62 1zts h VAL 126 Ca -0.04 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1zts h VAL 126 Cb 1.56 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1zts h VAL 126 CO 0.14 0.14 -0.25 0.03 0.02 0.00 0.00 177.57 177.65 1zts h ARG 127 N 0.78 0.00 0.00 1.57 2.47 -1.75 -1.60 114.38 115.85 1zts h ARG 127 Ca 0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 1zts h ARG 127 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1zts h ARG 127 CO -0.24 0.25 -0.33 0.52 0.56 0.00 0.00 179.97 180.73 1zts h MET 128 N 0.00 0.00 -0.75 0.04 2.86 -0.69 -3.24 114.93 113.14 1zts h MET 128 Ca -0.00 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.86 1zts h MET 128 Cb 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1zts h MET 128 CO 0.03 0.00 0.55 0.00 1.06 0.00 0.00 176.91 178.55 1zts h ARG 129 N -0.91 0.00 -1.13 1.72 3.08 -0.60 0.40 114.38 116.94 1zts h ARG 129 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1zts h ARG 129 Cb 0.33 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.03 1zts h ARG 129 CO 0.00 0.00 0.13 0.43 -1.07 0.00 0.00 179.97 179.46 1zts n SER 130 N -4.29 6.37 -4.89 7.04 7.64 -0.60 -5.02 113.62 119.88 1zts n SER 130 Ca 0.15 -3.77 -0.31 0.00 1.01 0.00 0.00 58.87 55.95 1zts n SER 130 Cb 0.83 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1zts s ILE 131 N -4.88 5.06 0.26 0.44 2.07 0.13 -4.87 121.20 119.41 1zts s ILE 131 Ca 0.56 0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.97 1zts s ILE 131 Cb 0.45 -3.65 0.24 0.00 0.13 0.00 0.00 42.46 39.64 1zts s ILE 131 CO -0.08 -0.08 1.76 -0.07 -1.91 0.00 0.00 174.94 174.57 1zts h LEU 132 N 2.47 0.53 -2.48 8.50 3.38 -1.89 -3.47 115.31 122.35 1zts h LEU 132 Ca -0.47 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1zts h LEU 132 Cb 1.17 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1zts h LEU 132 CO 0.70 0.22 -1.01 1.21 0.09 0.00 0.00 178.44 179.65 1zts n GLU 133 N -4.87 -2.68 0.00 1.13 2.13 -1.26 -5.00 120.64 110.08 1zts n GLU 133 Ca 0.17 2.28 0.00 0.00 0.66 0.00 0.00 57.16 60.27 1zts n GLU 133 Cb 0.44 -4.11 0.00 0.00 0.27 0.00 0.00 31.44 28.04 1zts n GLU 133 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1zts n HIS 134 N 0.97 0.00 0.03 4.31 -0.00 -1.26 -4.94 115.22 114.34 1zts n HIS 134 Ca -0.03 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.14 1zts n HIS 134 Cb 0.17 0.04 -0.01 0.00 -0.12 0.00 0.00 29.99 30.08 1zts n HIS 134 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1zts h HIS 135 N 0.00 -0.09 -3.31 1.57 3.86 -2.03 -3.46 115.15 111.69 1zts h HIS 135 Ca 0.00 -0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.73 1zts h HIS 135 Cb 0.38 0.03 0.04 0.00 1.06 0.00 0.00 27.41 28.91 1zts h HIS 135 CO 0.00 -0.06 0.05 -1.58 0.86 0.00 0.00 177.93 177.20 1zts s HIS 136 N -2.24 3.38 -0.03 2.45 5.65 -1.26 -5.10 115.29 118.14 1zts s HIS 136 Ca -0.01 0.57 0.07 0.00 0.25 0.00 0.00 55.06 55.94 1zts s HIS 136 Cb 0.00 -2.39 -0.02 0.00 -1.18 0.00 0.00 32.58 28.99 1zts s HIS 136 CO 0.04 -0.42 -0.25 -1.58 -0.65 0.00 0.00 174.74 171.89 1zts s HIS 137 N -2.72 2.38 -0.46 3.88 2.46 -1.26 -4.91 115.29 114.65 1zts s HIS 137 Ca 0.49 -0.46 -0.16 0.00 0.47 0.00 0.00 55.06 55.40 1zts s HIS 137 Cb -0.10 -1.53 0.06 0.00 -0.13 0.00 0.00 32.58 30.88 1zts s HIS 137 CO 0.42 -0.05 0.39 -1.58 -2.47 0.00 0.00 174.74 171.46 1zts s HIS 138 N -0.54 3.23 -1.78 3.88 5.04 -1.26 -5.19 115.29 118.67 1zts s HIS 138 Ca 0.08 -0.85 0.14 0.00 -1.54 0.00 0.00 55.06 52.89 1zts s HIS 138 Cb -0.11 -3.10 0.11 0.00 0.04 0.00 0.00 32.58 29.53 1zts s HIS 138 CO -0.00 -0.77 0.95 -2.39 -2.34 0.00 0.00 174.74 170.18