#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 -0.06 -0.89 4.77 -1.26 -4.91 117.00 114.66 1zts n LEU 2 Ca 0.00 -2.17 -0.06 0.00 -0.03 0.00 0.00 56.01 53.75 1zts n LEU 2 Cb 0.00 0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1zts n LEU 2 CO 0.00 -0.31 -0.86 0.18 -1.33 0.00 0.00 177.39 175.06 1zts n LEU 3 N 0.00 0.85 -4.64 2.23 7.99 -1.26 -5.03 117.00 117.14 1zts n LEU 3 Ca -0.12 -0.02 -0.30 0.00 -0.01 0.00 0.00 56.01 55.56 1zts n LEU 3 Cb 0.43 0.05 0.18 0.00 -0.11 0.00 0.00 43.42 43.97 1zts n LEU 3 CO 0.23 0.39 0.63 0.27 -1.51 0.00 0.00 177.39 177.40 1zts s ILE 4 N -2.25 2.34 0.27 -0.08 -4.36 -1.26 -5.06 121.20 110.80 1zts s ILE 4 Ca -0.09 0.11 0.10 0.00 -0.26 0.00 0.00 60.65 60.52 1zts s ILE 4 Cb 0.03 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.34 1zts s ILE 4 CO 0.39 -0.15 -0.06 0.42 0.24 0.00 0.00 174.94 175.78 1zts s THR 5 N -2.73 3.13 0.31 8.37 -4.23 -1.26 -5.04 115.64 114.19 1zts s THR 5 Ca 0.66 -2.07 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 1zts s THR 5 Cb -0.21 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 70.98 1zts s THR 5 CO 0.59 -0.38 1.70 1.55 -0.54 0.00 0.00 174.62 177.55 1zts h PRO 6 N 2.00 0.08 -0.07 3.99 0.13 -1.92 -2.91 132.00 133.30 1zts h PRO 6 Ca -0.43 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1zts h PRO 6 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1zts h PRO 6 CO 0.60 0.55 -0.30 0.22 -0.23 0.00 0.00 178.00 178.84 1zts h ASP 7 N 0.07 0.13 0.28 1.44 -0.00 -1.96 -2.85 116.42 113.54 1zts h ASP 7 Ca 0.00 -0.04 -0.24 0.00 -0.00 0.00 0.00 57.03 56.75 1zts h ASP 7 Cb 0.87 -0.04 0.01 0.00 -0.00 0.00 0.00 39.33 40.17 1zts h ASP 7 CO 0.07 0.43 -0.97 -0.33 -0.00 0.00 0.00 179.24 178.44 1zts h GLU 8 N 0.12 0.46 -0.30 0.28 4.39 -1.94 -2.76 114.58 114.84 1zts h GLU 8 Ca 0.02 -0.51 0.06 0.00 0.34 0.00 0.00 59.36 59.27 1zts h GLU 8 Cb 0.59 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 1zts h GLU 8 CO 0.04 1.15 -0.04 1.25 -1.16 0.00 0.00 179.01 180.26 1zts h LEU 9 N 0.26 -0.21 -0.93 1.33 5.85 -1.35 -0.72 115.31 119.55 1zts h LEU 9 Ca -0.09 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1zts h LEU 9 Cb 1.62 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1zts h LEU 9 CO 0.17 -0.07 -0.50 0.07 -0.34 0.00 0.00 178.44 177.77 1zts h LYS 10 N 0.04 0.00 -0.59 1.25 2.10 -1.62 0.28 116.57 118.03 1zts h LYS 10 Ca 0.14 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.73 1zts h LYS 10 Cb 0.21 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 1zts h LYS 10 CO -0.28 0.50 0.11 1.03 -2.00 0.00 0.00 179.45 178.81 1zts h SER 11 N 0.00 0.89 0.01 7.07 0.87 -0.94 -3.30 113.55 118.16 1zts h SER 11 Ca -0.01 -0.19 -0.28 0.00 -1.23 0.00 0.00 61.79 60.09 1zts h SER 11 Cb 0.95 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 1zts h SER 11 CO 0.07 0.89 -1.52 0.00 -0.53 0.00 0.00 176.83 175.74 1zts n TYR 12 N -4.24 0.87 -1.25 2.24 9.36 -0.39 -4.96 117.16 118.80 1zts n TYR 12 Ca 0.04 0.36 -0.36 0.00 3.32 0.00 0.00 57.90 61.26 1zts n TYR 12 Cb 0.26 -1.09 0.08 0.00 -0.63 0.00 0.00 39.34 37.96 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 -4.33 -0.77 -0.03 2.98 2.88 0.96 -4.94 113.62 110.37 1zts n SER 13 Ca -0.36 0.59 0.02 0.00 -1.33 0.00 0.00 58.87 57.79 1zts n SER 13 Cb 0.74 -1.27 -0.11 0.00 -0.75 0.00 0.00 64.21 62.83 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 -2.52 0.36 -1.66 2.46 0.24 -1.26 -4.83 118.33 111.12 1zts n VAL 14 Ca 0.11 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 1zts n VAL 14 Cb 0.50 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.70 1.26 0.63 6.34 0.40 -1.26 -4.82 117.98 117.82 1zts s PHE 15 Ca -0.06 0.16 0.36 0.00 -0.60 0.00 0.00 56.93 56.79 1zts s PHE 15 Cb 0.07 -4.05 2.01 0.00 0.51 0.00 0.00 43.02 41.55 1zts s PHE 15 CO 0.56 -4.58 2.23 1.49 0.70 0.00 0.00 175.22 175.62 1zts h GLU 16 N 13.17 0.00 -0.57 0.44 4.81 -1.99 -1.08 114.58 129.37 1zts h GLU 16 Ca -0.44 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1zts h GLU 16 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1zts h GLU 16 CO 0.96 0.00 0.03 0.77 -0.73 0.00 0.00 179.01 180.04 1zts h SER 17 N 0.00 0.93 0.52 1.04 0.02 -1.95 0.25 113.55 114.36 1zts h SER 17 Ca 0.02 -0.23 -0.19 0.00 -0.84 0.00 0.00 61.79 60.55 1zts h SER 17 Cb 0.19 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1zts h SER 17 CO -0.00 0.96 -0.81 0.58 -1.14 0.00 0.00 176.83 176.42 1zts h VAL 18 N 0.89 1.47 0.00 2.27 2.07 -1.49 -2.63 116.25 118.83 1zts h VAL 18 Ca 0.17 -2.46 -0.11 0.00 0.82 0.00 0.00 66.70 65.11 1zts h VAL 18 Cb 0.48 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1zts h VAL 18 CO 0.02 0.72 -0.53 0.11 0.02 0.00 0.00 177.57 177.91 1zts h LYS 19 N 0.13 0.00 -0.01 1.57 1.57 -1.31 -3.31 116.57 115.20 1zts h LYS 19 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1zts h LYS 19 Cb 1.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.73 1zts h LYS 19 CO 0.12 0.53 -0.48 1.79 -0.57 0.00 0.00 179.45 180.85 1zts h THR 20 N 0.00 1.45 -3.36 -0.16 1.35 -0.47 -3.46 112.91 108.26 1zts h THR 20 Ca -0.01 -2.00 -0.53 0.00 -0.55 0.00 0.00 66.41 63.32 1zts h THR 20 Cb 1.41 2.59 0.22 0.00 -1.73 0.00 0.00 68.15 70.63 1zts h THR 20 CO 0.07 0.57 -0.61 0.54 -0.25 0.00 0.00 175.52 175.84 1zts n ARG 21 N -4.31 -0.28 -0.06 4.72 1.74 -1.00 -4.99 116.66 112.48 1zts n ARG 21 Ca -0.10 -0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 56.92 1zts n ARG 21 Cb 0.61 -1.83 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1zts n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1zts n PRO 22 N -1.56 -1.15 -0.03 5.56 -0.04 -1.26 -4.95 135.00 131.57 1zts n PRO 22 Ca 0.06 -0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1zts n PRO 22 Cb 0.54 -0.10 -0.14 0.00 -0.04 0.00 0.00 33.50 33.76 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 -3.11 0.32 -0.03 3.54 10.43 -1.26 -3.71 116.55 122.72 1zts n ASP 23 Ca 0.01 0.14 -0.16 0.00 2.57 0.00 0.00 54.79 57.35 1zts n ASP 23 Cb 0.04 0.93 -0.07 0.00 1.84 0.00 0.00 41.12 43.86 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -1.07 0.00 0.00 177.20 177.18 1zts h GLU 24 N 0.00 0.71 -0.30 -1.24 4.11 -2.01 -3.10 114.58 112.75 1zts h GLU 24 Ca -0.27 -0.55 -0.10 0.00 0.07 0.00 0.00 59.36 58.51 1zts h GLU 24 Cb 1.70 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1zts h GLU 24 CO 0.03 1.17 -0.19 -0.07 0.07 0.00 0.00 179.01 180.02 1zts h LEU 25 N 0.40 0.68 -0.68 3.06 3.38 -1.97 -3.15 115.31 117.04 1zts h LEU 25 Ca -0.03 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.63 1zts h LEU 25 Cb 1.26 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1zts h LEU 25 CO 0.13 0.96 0.22 -0.07 0.09 0.00 0.00 178.44 179.78 1zts h LEU 26 N 0.40 0.16 -0.47 1.67 3.38 -1.64 -1.22 115.31 117.58 1zts h LEU 26 Ca 0.06 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1zts h LEU 26 Cb 0.73 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1zts h LEU 26 CO 0.05 0.07 0.05 0.11 0.09 0.00 0.00 178.44 178.81 1zts h LYS 27 N 0.37 0.16 -0.61 1.13 1.57 -1.49 0.64 116.57 118.33 1zts h LYS 27 Ca 0.36 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.22 1zts h LYS 27 Cb 0.54 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1zts h LYS 27 CO -0.39 0.11 0.27 1.96 -0.57 0.00 0.00 179.45 180.82 1zts h GLN 28 N 0.17 0.47 -0.11 3.15 4.20 -1.25 0.13 115.11 121.86 1zts h GLN 28 Ca 0.24 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1zts h GLN 28 Cb 0.34 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1zts h GLN 28 CO -0.36 0.31 0.02 -0.44 -0.67 0.00 0.00 178.83 177.70 1zts h ASP 29 N 0.49 0.17 -0.13 1.46 3.45 -0.90 -0.95 116.42 120.01 1zts h ASP 29 Ca 0.30 -0.24 0.04 0.00 0.43 0.00 0.00 57.03 57.55 1zts h ASP 29 Cb 0.31 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.00 1zts h ASP 29 CO -0.26 0.37 -0.10 0.40 -1.57 0.00 0.00 179.24 178.08 1zts h ILE 30 N -0.03 0.70 0.00 0.35 2.04 -0.40 0.28 117.51 120.45 1zts h ILE 30 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1zts h ILE 30 Cb 0.27 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1zts h ILE 30 CO 0.00 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 177.91 1zts h LEU 31 N -0.12 0.00 -0.04 1.44 3.38 -0.96 -1.72 115.31 117.28 1zts h LEU 31 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1zts h LEU 31 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1zts h LEU 31 CO -0.20 0.17 -0.45 -0.33 0.09 0.00 0.00 178.44 177.72 1zts h GLU 32 N 0.00 0.00 -0.06 1.13 5.08 0.08 -3.30 114.58 117.51 1zts h GLU 32 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1zts h GLU 32 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1zts h GLU 32 CO 0.02 0.45 -0.62 0.00 -1.00 0.00 0.00 179.01 177.86 1zts h ALA 33 N 1.55 0.15 -0.10 3.43 0.00 0.41 -3.14 119.26 121.56 1zts h ALA 33 Ca -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1zts h ALA 33 Cb 1.33 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1zts h ALA 33 CO 0.06 0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.94 1zts h THR 34 N 0.10 0.22 0.00 0.00 1.03 -1.53 0.61 112.91 113.34 1zts h THR 34 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.29 1zts h THR 34 Cb 1.29 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 1zts h THR 34 CO 0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 175.52 175.38 1zts h ALA 35 N 1.69 1.56 0.02 0.00 0.00 -1.65 -0.84 119.26 120.04 1zts h ALA 35 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1zts h ALA 35 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zts h ALA 35 CO -0.00 0.32 -0.01 0.22 0.00 0.00 0.00 179.25 179.78 1zts h ASP 36 N 0.00 -0.03 -0.21 0.00 3.58 -1.03 -2.51 116.42 116.22 1zts h ASP 36 Ca -0.00 -0.72 0.01 0.00 0.42 0.00 0.00 57.03 56.74 1zts h ASP 36 Cb 0.46 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1zts h ASP 36 CO 0.03 0.77 0.11 0.40 -2.88 0.00 0.00 179.24 177.67 1zts h ILE 37 N -0.89 1.00 -0.37 2.25 2.04 -1.51 -2.27 117.51 117.76 1zts h ILE 37 Ca -0.00 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1zts h ILE 37 Cb 0.74 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1zts h ILE 37 CO 0.01 0.04 0.10 0.40 0.00 0.00 0.00 178.15 178.70 1zts h ILE 38 N 0.23 1.17 0.00 -0.67 2.04 -1.28 -1.43 117.51 117.56 1zts h ILE 38 Ca 0.09 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1zts h ILE 38 Cb 0.02 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1zts h ILE 38 CO -0.06 0.21 -0.04 -0.07 0.00 0.00 0.00 178.15 178.20 1zts h LEU 39 N 0.53 0.00 0.06 1.44 3.38 -0.94 0.30 115.31 120.08 1zts h LEU 39 Ca 0.13 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1zts h LEU 39 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1zts h LEU 39 CO -0.01 0.04 -0.84 0.11 0.09 0.00 0.00 178.44 177.83 1zts h LYS 40 N 0.00 0.12 0.00 1.13 1.57 -1.03 -3.32 116.57 115.04 1zts h LYS 40 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1zts h LYS 40 Cb 0.16 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1zts h LYS 40 CO 0.00 1.10 0.00 1.33 -0.57 0.00 0.00 179.45 181.31 1zts n VAL 41 N -4.29 0.35 -2.14 0.50 0.24 -1.04 -4.80 118.33 107.15 1zts n VAL 41 Ca -0.20 0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 61.94 1zts n VAL 41 Cb 0.71 -0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 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 1.03 0.28 3.32 7.63 0.00 0.10 -4.58 105.19 112.97 1zts n GLY 42 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.92 -0.51 0.00 1.61 3.76 -1.15 -5.05 115.29 111.03 1zts s HIS 43 Ca 0.00 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 1zts s HIS 43 Cb 0.00 0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.88 1zts s HIS 43 CO 0.00 -0.26 0.00 -0.40 -0.85 0.00 0.00 174.74 173.23 1zts n ASP 44 N 3.17 0.30 -2.49 1.40 5.75 -1.26 -4.69 116.55 118.73 1zts n ASP 44 Ca -0.15 -1.00 -0.16 0.00 -0.01 0.00 0.00 54.79 53.47 1zts n ASP 44 Cb 0.57 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.68 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 -0.85 2.23 -0.01 2.11 3.72 -1.26 -4.87 117.46 118.53 1zts n PHE 45 Ca 0.00 -2.60 -0.13 0.00 -0.05 0.00 0.00 57.45 54.67 1zts n PHE 45 Cb 0.00 -0.25 -0.08 0.00 -0.94 0.00 0.00 39.48 38.21 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1zts h SER 46 N 2.59 0.08 -1.81 4.37 0.87 -1.94 -3.44 113.55 114.27 1zts h SER 46 Ca 0.13 -0.35 -0.67 0.00 -1.23 0.00 0.00 61.79 59.66 1zts h SER 46 Cb 1.21 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1zts h SER 46 CO 0.60 0.41 0.94 0.47 -0.53 0.00 0.00 176.83 178.72 1zts n ASP 47 N -4.86 2.82 0.24 6.23 8.00 -1.26 -4.83 116.55 122.88 1zts n ASP 47 Ca -0.07 1.04 0.10 0.00 0.71 0.00 0.00 54.79 56.56 1zts n ASP 47 Cb 0.20 -1.26 0.59 0.00 -0.02 0.00 0.00 41.12 40.63 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 7.71 1.26 -0.29 2.24 0.00 -2.02 -1.67 119.26 126.50 1zts h ALA 48 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1zts h ALA 48 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1zts h ALA 48 CO 0.93 0.24 0.00 -1.91 0.00 0.00 0.00 179.25 178.52 1zts n GLU 49 N -3.69 1.87 -3.06 0.00 2.13 -1.26 -4.25 120.64 112.38 1zts n GLU 49 Ca -0.01 -1.33 -0.15 0.00 0.66 0.00 0.00 57.16 56.32 1zts n GLU 49 Cb 0.31 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1zts n TYR 50 N 0.56 -0.58 -3.38 4.31 9.36 -0.63 -5.01 117.16 121.78 1zts n TYR 50 Ca 0.15 -3.36 -0.33 0.00 3.32 0.00 0.00 57.90 57.69 1zts n TYR 50 Cb 0.35 0.11 -0.06 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.28 3.18 -2.24 2.97 5.41 -1.22 -4.62 119.36 123.12 1zts n ILE 51 Ca 0.20 -5.37 -0.41 0.00 1.00 0.00 0.00 62.75 58.17 1zts n ILE 51 Cb 0.68 -2.14 -0.03 0.00 -0.71 0.00 0.00 39.64 37.43 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 -2.33 4.42 -0.42 0.38 0.04 -1.26 -5.00 135.00 130.83 1zts s PRO 52 Ca 0.35 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.48 1zts s PRO 52 Cb 0.08 -3.17 0.18 0.00 0.04 0.00 0.00 34.50 31.63 1zts s PRO 52 CO -0.01 -0.17 0.41 -0.11 0.04 0.00 0.00 177.00 177.16 1zts n LEU 53 N 2.04 -0.80 0.00 -3.56 7.94 -1.26 -5.09 117.00 116.27 1zts n LEU 53 Ca 0.04 -4.22 -0.00 0.00 -1.11 0.00 0.00 56.01 50.71 1zts n LEU 53 Cb 0.43 0.59 0.00 0.00 0.53 0.00 0.00 43.42 44.97 1zts n LEU 53 CO 0.58 1.89 0.00 -0.81 -1.11 0.00 0.00 177.39 177.94 1zts n PRO 54 N 2.69 -1.03 0.13 1.96 -0.04 -1.26 -4.90 135.00 132.55 1zts n PRO 54 Ca 0.27 -0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1zts n PRO 54 Cb 0.50 -0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.02 0.54 4.81 -2.00 -3.25 114.58 114.66 1zts h GLU 55 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1zts h GLU 55 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1zts h GLU 55 CO 0.00 0.15 -0.25 1.79 -0.73 0.00 0.00 179.01 179.97 1zts h THR 56 N 0.00 1.51 -0.24 0.32 1.35 -1.93 -3.14 112.91 110.79 1zts h THR 56 Ca -0.03 -1.87 0.01 0.00 -0.55 0.00 0.00 66.41 63.97 1zts h THR 56 Cb 1.19 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 70.24 1zts h THR 56 CO 0.02 0.51 0.15 0.58 -0.25 0.00 0.00 175.52 176.53 1zts h VAL 57 N -0.43 1.05 -0.82 6.82 2.07 -1.82 0.12 116.25 123.24 1zts h VAL 57 Ca -0.03 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.53 1zts h VAL 57 Cb 0.98 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 1zts h VAL 57 CO 0.05 0.06 0.39 -0.09 0.02 0.00 0.00 177.57 178.00 1zts h ARG 58 N 0.30 0.54 -0.00 1.57 2.43 -1.66 0.11 114.38 117.68 1zts h ARG 58 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1zts h ARG 58 Cb -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1zts h ARG 58 CO -0.03 0.36 -0.01 1.25 -1.51 0.00 0.00 179.97 180.03 1zts h LEU 59 N 0.56 0.01 -0.75 3.80 5.85 -1.40 -1.84 115.31 121.54 1zts h LEU 59 Ca 0.45 -0.66 0.14 0.00 0.84 0.00 0.00 57.88 58.65 1zts h LEU 59 Cb 0.66 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 1zts h LEU 59 CO -0.38 0.67 0.29 0.00 -0.34 0.00 0.00 178.44 178.69 1zts h ALA 60 N 0.34 1.05 -0.28 1.25 0.00 -0.21 -0.32 119.26 121.08 1zts h ALA 60 Ca -0.00 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1zts h ALA 60 Cb 0.67 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1zts h ALA 60 CO 0.00 -0.21 -0.35 1.25 0.00 0.00 0.00 179.25 179.94 1zts h LEU 61 N 0.44 0.80 -1.29 0.00 7.12 -0.85 -2.33 115.31 119.20 1zts h LEU 61 Ca 0.41 -0.49 0.08 0.00 0.13 0.00 0.00 57.88 58.00 1zts h LEU 61 Cb 0.62 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 40.47 1zts h LEU 61 CO -0.40 1.13 0.53 -0.07 -0.13 0.00 0.00 178.44 179.50 1zts h LEU 62 N 0.48 0.74 -0.11 2.25 3.38 -0.36 0.25 115.31 121.95 1zts h LEU 62 Ca 0.04 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1zts h LEU 62 Cb 0.93 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1zts h LEU 62 CO 0.08 0.47 -0.43 0.11 0.09 0.00 0.00 178.44 178.76 1zts h LYS 63 N 0.84 0.48 -0.67 1.13 1.79 -1.02 -3.07 116.57 116.05 1zts h LYS 63 Ca 0.36 -0.37 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1zts h LYS 63 Cb 0.30 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1zts h LYS 63 CO -0.13 1.00 0.18 -0.07 -1.08 0.00 0.00 179.45 179.35 1zts h LEU 64 N 0.07 1.00 -1.10 2.94 3.38 -0.83 -2.06 115.31 118.71 1zts h LEU 64 Ca -0.02 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1zts h LEU 64 Cb 1.07 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 1zts h LEU 64 CO 0.09 0.97 0.61 0.28 0.09 0.00 0.00 178.44 180.48 1zts h SER 65 N 0.99 0.94 0.59 -0.43 0.02 -0.56 -0.97 113.55 114.14 1zts h SER 65 Ca 0.21 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1zts h SER 65 Cb 0.34 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1zts h SER 65 CO -0.00 0.59 -0.71 -0.61 -1.14 0.00 0.00 176.83 174.96 1zts h GLN 66 N 1.06 0.10 -0.14 3.45 4.15 -1.38 -1.53 115.11 120.82 1zts h GLN 66 Ca 0.41 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 1zts h GLN 66 Cb 0.23 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1zts h GLN 66 CO -0.16 0.77 0.03 0.35 -1.93 0.00 0.00 178.83 177.88 1zts h PHE 67 N 0.06 0.25 0.01 3.99 3.04 -0.50 -1.85 116.94 121.95 1zts h PHE 67 Ca -0.01 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1zts h PHE 67 Cb 1.26 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1zts h PHE 67 CO 0.01 0.41 -0.01 1.88 -2.02 0.00 0.00 178.31 178.58 1zts h TYR 68 N 0.02 -0.01 -0.59 0.41 -1.99 -1.35 -3.10 116.97 110.35 1zts h TYR 68 Ca 0.04 -0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.95 1zts h TYR 68 Cb 0.29 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 1zts h TYR 68 CO 0.02 0.58 0.48 0.00 -0.00 0.00 0.00 178.16 179.23 1zts h ALA 69 N 0.35 2.47 -0.09 3.88 0.00 -1.33 0.93 119.26 125.48 1zts h ALA 69 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1zts h ALA 69 Cb 0.60 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zts h ALA 69 CO 0.00 -0.78 -0.10 1.25 0.00 0.00 0.00 179.25 179.61 1zts h LEU 70 N 0.00 0.24 -3.10 0.00 5.85 -1.28 -3.12 115.31 113.91 1zts h LEU 70 Ca 0.28 -0.51 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 1zts h LEU 70 Cb 1.24 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1zts h LEU 70 CO -0.00 0.70 0.15 2.30 -0.34 0.00 0.00 178.44 181.25 1zts n ILE 71 N -4.65 2.26 -0.06 4.05 -5.35 -0.31 -3.14 119.36 112.15 1zts n ILE 71 Ca -0.07 -1.17 -0.06 0.00 -0.27 0.00 0.00 62.75 61.18 1zts n ILE 71 Cb 0.34 -0.42 -0.09 0.00 -1.74 0.00 0.00 39.64 37.73 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 0.10 2.18 -0.00 7.28 4.13 0.17 -4.69 115.26 124.43 1zts n ASN 72 Ca 0.28 -0.01 0.04 0.00 1.68 0.00 0.00 54.58 56.57 1zts n ASN 72 Cb 1.09 0.67 -0.06 0.00 -1.54 0.00 0.00 39.78 39.94 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zts n GLY 73 N 2.33 -0.31 3.63 7.41 0.00 -1.21 -5.02 105.19 112.02 1zts n GLY 73 Ca -0.20 -0.19 -0.48 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.73 2.33 -2.08 1.61 2.03 -1.19 -4.86 116.55 112.68 1zts n ASP 74 Ca -0.01 1.11 -0.24 0.00 0.52 0.00 0.00 54.79 56.16 1zts n ASP 74 Cb 0.20 -1.32 0.08 0.00 -0.72 0.00 0.00 41.12 39.37 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 2.75 2.19 -1.08 -0.67 2.13 -1.26 -4.01 120.64 120.69 1zts n GLU 75 Ca 0.17 -2.43 0.02 0.00 0.66 0.00 0.00 57.16 55.57 1zts n GLU 75 Cb 0.25 -1.95 0.01 0.00 0.27 0.00 0.00 31.44 30.01 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 -0.44 0.47 -3.91 4.31 2.88 -1.26 -5.09 113.62 110.57 1zts n SER 76 Ca 0.47 -1.95 -0.10 0.00 -1.33 0.00 0.00 58.87 55.95 1zts n SER 76 Cb 0.82 -0.21 -0.11 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 0.07 -0.89 2.46 1.01 -1.26 -4.17 121.20 118.43 1zts s ILE 77 Ca 0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1zts s ILE 77 Cb 0.21 -0.26 0.22 0.00 0.01 0.00 0.00 42.46 42.64 1zts s ILE 77 CO -0.09 -0.32 0.79 -0.63 0.00 0.00 0.00 174.94 174.68 1zts s ILE 78 N -1.01 4.51 0.00 2.92 1.01 -1.26 -5.02 121.20 122.35 1zts s ILE 78 Ca -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 60.65 56.82 1zts s ILE 78 Cb -0.07 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1zts s ILE 78 CO 0.00 -1.08 0.00 2.29 0.00 0.00 0.00 174.94 176.15 1zts n LYS 79 N 2.50 -0.98 0.00 2.79 2.85 -1.25 -4.47 118.16 119.60 1zts n LYS 79 Ca 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1zts n LYS 79 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1zts n GLY 80 N 2.41 1.16 1.42 2.58 0.00 -1.26 -5.00 105.19 106.49 1zts n GLY 80 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1zts n GLY 80 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1zts n TYR 81 N 0.00 -1.19 -0.58 1.61 4.11 -1.26 -4.95 117.16 114.90 1zts n TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1zts n TYR 81 Cb 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 39.34 39.69 1zts n TYR 81 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1zts n THR 82 N -2.21 0.19 -3.18 -3.48 5.66 -1.26 -5.04 114.28 104.97 1zts n THR 82 Ca 0.00 -0.31 -0.40 0.00 -3.05 0.00 0.00 64.05 60.30 1zts n THR 82 Cb 0.00 1.21 -0.06 0.00 -1.55 0.00 0.00 70.33 69.93 1zts n THR 82 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1zts s THR 83 N -0.19 5.06 0.93 1.09 -4.23 -1.26 -5.06 115.64 111.97 1zts s THR 83 Ca 0.00 1.08 -0.16 0.00 -1.18 0.00 0.00 61.69 61.43 1zts s THR 83 Cb 0.00 -3.90 0.24 0.00 1.34 0.00 0.00 72.50 70.18 1zts s THR 83 CO 0.00 0.14 0.57 -1.84 -0.54 0.00 0.00 174.62 172.95 1zts n GLU 84 N 4.94 -3.75 -2.22 3.99 0.00 -1.26 -4.85 120.64 117.49 1zts n GLU 84 Ca -0.03 -0.95 -0.43 0.00 0.00 0.00 0.00 57.16 55.75 1zts n GLU 84 Cb 0.50 -1.20 -0.02 0.00 0.00 0.00 0.00 31.44 30.71 1zts n GLU 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1zts s LYS 85 N -4.35 3.43 -0.00 3.44 -2.85 -1.26 -4.81 119.74 113.34 1zts s LYS 85 Ca 0.43 1.06 0.14 0.00 -1.00 0.00 0.00 55.97 56.60 1zts s LYS 85 Cb -0.07 -4.11 -0.16 0.00 -2.06 0.00 0.00 37.83 31.43 1zts s LYS 85 CO 0.36 -1.74 0.55 -0.89 0.10 0.00 0.00 175.35 173.73 1zts n ILE 86 N 7.19 0.00 -1.46 3.79 5.41 -1.26 -4.98 119.36 128.05 1zts n ILE 86 Ca 0.19 -0.19 -0.16 0.00 1.00 0.00 0.00 62.75 63.58 1zts n ILE 86 Cb 0.48 0.87 -0.07 0.00 -0.71 0.00 0.00 39.64 40.21 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 1.38 1.60 0.01 7.39 0.00 -1.26 -4.99 105.19 109.32 1zts n GLY 87 Ca 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.61 0.00 -3.56 1.61 -0.08 -1.26 -4.87 116.55 107.77 1zts n ASP 88 Ca -0.16 -1.00 -0.41 0.00 -1.51 0.00 0.00 54.79 51.71 1zts n ASP 88 Cb 0.53 -0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1zts n TYR 89 N -1.58 2.67 -1.36 -0.67 0.53 -1.26 -4.51 117.16 110.98 1zts n TYR 89 Ca 0.00 -2.83 0.04 0.00 -1.02 0.00 0.00 57.90 54.09 1zts n TYR 89 Cb 0.00 -1.91 0.20 0.00 -1.03 0.00 0.00 39.34 36.60 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1zts n SER 90 N 2.40 2.37 -2.71 7.72 7.64 -1.26 -4.67 113.62 125.11 1zts n SER 90 Ca 0.58 -3.58 -0.09 0.00 1.01 0.00 0.00 58.87 56.79 1zts n SER 90 Cb 0.27 -0.55 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.11 -0.27 -1.63 1.43 4.01 -1.26 -3.86 117.16 114.47 1zts n TYR 91 Ca 0.23 -2.55 -0.45 0.00 -0.16 0.00 0.00 57.90 54.97 1zts n TYR 91 Cb 0.82 0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 40.18 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 -0.19 1.56 -2.43 -0.72 -1.04 -1.26 -4.53 114.28 105.66 1zts n THR 92 Ca 0.06 -0.39 -0.03 0.00 -2.04 0.00 0.00 64.05 61.65 1zts n THR 92 Cb 0.81 -1.19 0.02 0.00 -1.82 0.00 0.00 70.33 68.15 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 1.49 0.00 0.26 -4.42 4.77 -1.20 -4.29 117.00 113.62 1zts n LEU 93 Ca 0.10 -0.32 0.16 0.00 -0.03 0.00 0.00 56.01 55.92 1zts n LEU 93 Cb 0.31 -0.09 0.62 0.00 -2.33 0.00 0.00 43.42 41.93 1zts n LEU 93 CO 0.61 -0.57 0.97 1.23 -1.33 0.00 0.00 177.39 178.30 1zts h GLY 94 N -0.07 0.00 -2.31 -0.72 0.00 -1.92 -2.85 103.07 95.21 1zts h GLY 94 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1zts h GLY 94 CO 0.05 0.00 0.07 1.34 0.00 0.00 0.00 176.54 178.00 1zts n ASP 95 N -3.06 3.34 -3.25 0.19 2.03 -1.26 -4.94 116.55 109.61 1zts n ASP 95 Ca 0.01 -3.46 -0.23 0.00 0.52 0.00 0.00 54.79 51.64 1zts n ASP 95 Cb 0.33 -0.64 0.01 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.82 -0.50 3.74 0.27 0.00 -1.07 -4.94 105.19 101.87 1zts n GLY 96 Ca 0.33 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.69 6.27 -1.16 1.61 0.01 -1.26 -4.85 113.70 111.62 1zts s SER 97 Ca 0.36 0.31 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 1zts s SER 97 Cb -0.18 -2.11 0.04 0.00 0.21 0.00 0.00 66.02 63.98 1zts s SER 97 CO 0.45 0.18 1.65 -0.94 0.41 0.00 0.00 173.24 174.99 1zts s SER 98 N 0.26 6.49 -0.39 2.44 1.04 -1.26 -3.23 113.70 119.05 1zts s SER 98 Ca 0.10 -1.90 -0.30 0.00 0.48 0.00 0.00 55.95 54.33 1zts s SER 98 Cb -0.11 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.34 1zts s SER 98 CO -0.00 -1.52 2.31 -0.11 0.98 0.00 0.00 173.24 174.90 1zts n LEU 99 N 9.31 2.45 -4.87 2.42 7.94 -1.26 -4.93 117.00 128.04 1zts n LEU 99 Ca 0.42 0.04 -0.36 0.00 -1.11 0.00 0.00 56.01 55.00 1zts n LEU 99 Cb 0.48 -1.44 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 1zts n LEU 99 CO 0.71 -0.98 -0.06 0.00 -1.11 0.00 0.00 177.39 175.95 1zts s GLN 100 N 7.11 3.61 0.93 1.96 -2.07 -1.26 -4.97 119.66 124.96 1zts s GLN 100 Ca 1.05 0.00 -0.13 0.00 -1.82 0.00 0.00 55.36 54.46 1zts s GLN 100 Cb -0.50 -3.14 0.02 0.00 -1.09 0.00 0.00 33.01 28.31 1zts s GLN 100 CO 0.37 0.69 0.38 1.63 -1.32 0.00 0.00 175.29 177.05 1zts n LYS 101 N 1.49 -0.23 -2.26 9.60 5.02 -1.26 -4.92 118.16 125.60 1zts n LYS 101 Ca -0.14 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 1zts n LYS 101 Cb 0.53 -1.83 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 -3.52 3.75 -1.40 1.97 0.04 -1.26 -4.93 135.00 129.65 1zts s PRO 102 Ca 0.57 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 63.24 1zts s PRO 102 Cb -0.22 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 31.99 1zts s PRO 102 CO 0.67 -0.56 2.09 -0.25 0.04 0.00 0.00 177.00 178.99 1zts n ASP 103 N -0.51 4.25 -1.77 6.66 8.00 -1.26 -4.67 116.55 127.25 1zts n ASP 103 Ca 0.07 -2.90 -0.06 0.00 0.71 0.00 0.00 54.79 52.61 1zts n ASP 103 Cb 0.48 -1.63 0.24 0.00 -0.02 0.00 0.00 41.12 40.19 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1zts n VAL 104 N 4.90 2.43 -0.09 2.53 0.24 -1.26 -4.36 118.33 122.72 1zts n VAL 104 Ca 0.49 -1.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.36 1zts n VAL 104 Cb 0.39 -0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 32.28 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 2.05 1.11 0.00 6.34 3.20 -1.99 -2.86 116.97 124.82 1zts h TYR 105 Ca 0.23 -0.38 -0.06 0.00 3.14 0.00 0.00 58.73 61.66 1zts h TYR 105 Cb 2.04 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 1zts h TYR 105 CO 1.04 1.22 -0.28 0.00 -1.64 0.00 0.00 178.16 178.50 1zts h ALA 106 N 0.70 1.05 0.17 1.82 0.00 -1.99 -1.63 119.26 119.37 1zts h ALA 106 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1zts h ALA 106 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1zts h ALA 106 CO 0.12 0.35 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 1zts h LEU 107 N 0.00 -0.19 0.00 0.00 3.38 -1.82 -3.12 115.31 113.56 1zts h LEU 107 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1zts h LEU 107 Cb 0.76 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1zts h LEU 107 CO 0.04 0.29 0.00 2.30 0.09 0.00 0.00 178.44 181.16 1zts n ILE 108 N -4.97 0.02 -0.05 1.22 -5.35 -1.09 -3.72 119.36 105.42 1zts n ILE 108 Ca -0.08 0.01 0.24 0.00 -0.27 0.00 0.00 62.75 62.64 1zts n ILE 108 Cb 0.26 -0.52 0.72 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.17 6.28 3.64 -1.22 0.29 116.57 125.39 1zts h LYS 109 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1zts h LYS 109 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1zts h LYS 109 CO 0.00 0.00 0.17 -0.44 -2.27 0.00 0.00 179.45 176.91 1zts h ASP 110 N 0.00 0.00 -0.41 4.20 5.19 -1.77 -2.12 116.42 121.50 1zts h ASP 110 Ca 0.31 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.42 1zts h ASP 110 Cb 1.40 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.58 1zts h ASP 110 CO -0.00 0.00 -0.88 -1.22 -3.12 0.00 0.00 179.24 174.02 1zts n TYR 111 N -3.97 1.42 -4.89 4.55 4.02 0.10 -5.05 117.16 113.33 1zts n TYR 111 Ca 0.01 -1.82 -0.33 0.00 -0.01 0.00 0.00 57.90 55.76 1zts n TYR 111 Cb 0.29 -0.26 -0.14 0.00 -0.02 0.00 0.00 39.34 39.21 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 -3.47 2.94 -0.83 -0.72 1.01 -0.80 -4.81 120.40 113.72 1zts s VAL 112 Ca 0.39 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1zts s VAL 112 Cb 0.37 -2.17 0.21 0.00 0.00 0.00 0.00 36.38 34.79 1zts s VAL 112 CO -0.03 0.56 0.71 -0.75 0.00 0.00 0.00 175.10 175.59 1zts s LYS 113 N -0.27 3.15 0.43 2.72 2.20 -1.26 -4.97 119.74 121.73 1zts s LYS 113 Ca 0.02 -3.07 -0.24 0.00 -0.36 0.00 0.00 55.97 52.31 1zts s LYS 113 Cb -0.13 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.17 1zts s LYS 113 CO 0.03 -1.24 1.18 -1.25 -0.36 0.00 0.00 175.35 173.70 1zts s PRO 114 N -0.99 3.91 -0.90 4.03 0.04 -1.26 -4.92 135.00 134.91 1zts s PRO 114 Ca 0.25 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 1zts s PRO 114 Cb -0.10 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1zts s PRO 114 CO -0.10 -0.44 1.86 0.00 0.04 0.00 0.00 177.00 178.36 1zts s ALA 115 N -1.46 1.86 -0.55 8.56 0.00 -1.26 -4.87 121.76 124.04 1zts s ALA 115 Ca 0.60 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1zts s ALA 115 Cb -0.30 -4.53 0.15 0.00 0.00 0.00 0.00 23.12 18.43 1zts s ALA 115 CO 0.38 -4.56 0.34 0.34 0.00 0.00 0.00 175.76 172.25 1zts s ASP 116 N 7.52 4.01 0.32 0.00 -1.08 -1.26 -5.11 116.67 121.07 1zts s ASP 116 Ca 0.66 -3.20 0.00 0.00 -0.52 0.00 0.00 52.55 49.49 1zts s ASP 116 Cb -0.06 -1.35 0.00 0.00 -1.46 0.00 0.00 42.92 40.05 1zts s ASP 116 CO -0.01 -0.19 0.00 -0.81 0.52 0.00 0.00 175.17 174.69 1zts n PRO 117 N 2.82 0.35 -0.90 4.34 -0.04 -1.26 -4.79 135.00 135.51 1zts n PRO 117 Ca 0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 1zts n PRO 117 Cb 0.35 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 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 -0.97 5.42 -0.01 3.54 -0.08 -1.26 -3.94 116.55 119.25 1zts n ASP 118 Ca 0.00 -2.36 0.07 0.00 -1.51 0.00 0.00 54.79 51.00 1zts n ASP 118 Cb 0.00 -1.22 -0.11 0.00 2.34 0.00 0.00 41.12 42.13 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 3.16 0.19 -4.39 -2.67 -0.00 -1.26 -5.02 117.00 107.02 1zts n LEU 119 Ca 0.47 -0.14 -0.33 0.00 -0.00 0.00 0.00 56.01 56.01 1zts n LEU 119 Cb 0.49 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 44.03 1zts n LEU 119 CO 0.43 0.05 -0.18 -1.84 -0.00 0.00 0.00 177.39 175.85 1zts n GLU 120 N -1.84 -0.32 0.00 1.47 0.28 -1.25 -3.67 120.64 115.30 1zts n GLU 120 Ca -0.01 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1zts n GLU 120 Cb 0.35 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 31.42 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1zts n GLY 121 N 1.63 2.85 3.40 -1.84 0.00 -1.26 -5.05 105.19 104.92 1zts n GLY 121 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.65 2.34 -1.61 -0.61 1.09 -1.24 -4.62 121.20 113.90 1zts s ILE 122 Ca 0.00 -1.66 0.00 0.00 -1.10 0.00 0.00 60.65 57.89 1zts s ILE 122 Cb 0.00 -2.02 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 1zts s ILE 122 CO 0.00 0.14 0.00 -0.62 -0.10 0.00 0.00 174.94 174.36 1zts n GLU 123 N 1.03 -1.41 -0.11 2.79 1.02 -1.26 -4.83 120.64 117.88 1zts n GLU 123 Ca -0.17 1.02 -0.23 0.00 -0.02 0.00 0.00 57.16 57.76 1zts n GLU 123 Cb 0.53 -5.33 -0.12 0.00 -0.02 0.00 0.00 31.44 26.50 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 1.28 1.19 0.09 0.62 0.00 -1.26 -4.22 120.51 118.20 1zts n ALA 124 Ca -0.15 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.21 1zts n ALA 124 Cb 0.59 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.47 0.25 -0.54 0.00 1.63 -1.88 -3.24 116.57 112.32 1zts h LYS 125 Ca -0.57 -0.35 0.07 0.00 -0.85 0.00 0.00 60.65 58.94 1zts h LYS 125 Cb 1.74 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 33.46 1zts h LYS 125 CO -0.20 1.11 0.36 0.28 -3.45 0.00 0.00 179.45 177.55 1zts h VAL 126 N 0.11 0.96 0.00 2.00 2.07 -1.96 0.27 116.25 119.70 1zts h VAL 126 Ca -0.09 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1zts h VAL 126 Cb 1.76 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1zts h VAL 126 CO 0.17 0.08 -0.45 0.03 0.02 0.00 0.00 177.57 177.42 1zts h ARG 127 N 0.46 0.00 0.00 1.57 2.47 -1.73 -2.56 114.38 114.60 1zts h ARG 127 Ca 0.24 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1zts h ARG 127 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1zts h ARG 127 CO -0.06 0.45 -0.33 1.98 0.56 0.00 0.00 179.97 182.57 1zts h MET 128 N 0.00 0.00 -0.75 0.04 4.05 -1.04 -3.30 114.93 113.93 1zts h MET 128 Ca -0.00 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.60 1zts h MET 128 Cb 1.06 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 1zts h MET 128 CO 0.06 0.16 0.52 0.00 0.23 0.00 0.00 176.91 177.88 1zts h ARG 129 N -1.00 0.17 -2.23 0.39 3.08 -0.68 -2.23 114.38 111.89 1zts h ARG 129 Ca -0.03 -0.01 -0.69 0.00 0.07 0.00 0.00 59.98 59.32 1zts h ARG 129 Cb 0.41 -0.04 -0.35 0.00 0.08 0.00 0.00 29.97 30.07 1zts h ARG 129 CO -0.02 0.11 0.15 0.43 -1.07 0.00 0.00 179.97 179.58 1zts n SER 130 N -4.40 5.87 -0.03 7.04 7.64 -0.96 -4.60 113.62 124.18 1zts n SER 130 Ca 0.15 -3.70 -0.03 0.00 1.01 0.00 0.00 58.87 56.30 1zts n SER 130 Cb 0.70 -0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 1zts n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zts n ILE 131 N -0.19 0.41 -1.28 0.44 3.06 -0.84 -4.81 119.36 116.15 1zts n ILE 131 Ca 0.39 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 1zts n ILE 131 Cb 0.34 -0.84 0.00 0.00 0.54 0.00 0.00 39.64 39.68 1zts n ILE 131 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1zts n LEU 132 N -2.25 -4.43 -3.47 9.51 4.77 -1.26 -4.96 117.00 114.91 1zts n LEU 132 Ca -0.10 2.28 -0.27 0.00 -0.03 0.00 0.00 56.01 57.89 1zts n LEU 132 Cb 0.69 -1.91 -0.09 0.00 -2.33 0.00 0.00 43.42 39.78 1zts n LEU 132 CO 0.12 -0.28 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.11 1zts n GLU 133 N -0.03 1.14 0.00 3.23 4.71 -1.26 -4.98 120.64 123.44 1zts n GLU 133 Ca 0.00 -3.78 0.00 0.00 -0.01 0.00 0.00 57.16 53.37 1zts n GLU 133 Cb 0.00 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 1zts n GLU 133 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1zts n HIS 134 N 1.92 0.00 -3.74 -0.32 8.25 -1.26 -4.75 115.22 115.33 1zts n HIS 134 Ca 0.25 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.34 1zts n HIS 134 Cb 0.45 -0.45 -0.12 0.00 1.12 0.00 0.00 29.99 30.98 1zts n HIS 134 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1zts s HIS 135 N -1.52 3.20 -0.30 4.41 5.65 -1.26 -5.00 115.29 120.46 1zts s HIS 135 Ca 0.00 -1.12 -0.12 0.00 0.25 0.00 0.00 55.06 54.07 1zts s HIS 135 Cb 0.00 -2.28 0.19 0.00 -1.18 0.00 0.00 32.58 29.30 1zts s HIS 135 CO 0.00 -0.63 1.08 -1.58 -0.65 0.00 0.00 174.74 172.95 1zts s HIS 136 N 1.47 -0.35 0.44 3.88 5.04 -1.26 -5.17 115.29 119.35 1zts s HIS 136 Ca 0.01 0.16 -0.12 0.00 -1.54 0.00 0.00 55.06 53.57 1zts s HIS 136 Cb -0.18 0.06 -0.07 0.00 0.04 0.00 0.00 32.58 32.43 1zts s HIS 136 CO 0.03 -0.21 0.84 -1.58 -2.34 0.00 0.00 174.74 171.48 1zts s HIS 137 N 2.67 3.47 -0.76 3.88 2.46 -1.26 -4.44 115.29 121.30 1zts s HIS 137 Ca 0.25 1.17 -0.01 0.00 0.47 0.00 0.00 55.06 56.95 1zts s HIS 137 Cb 0.00 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 29.90 1zts s HIS 137 CO -0.20 -0.19 0.67 1.58 -2.47 0.00 0.00 174.74 174.12 1zts n HIS 138 N -1.41 -2.70 0.53 3.88 -0.00 -1.26 -5.29 115.22 108.97 1zts n HIS 138 Ca 0.04 1.05 0.06 0.00 -0.00 0.00 0.00 57.72 58.87 1zts n HIS 138 Cb 0.54 -3.68 0.05 0.00 -0.00 0.00 0.00 29.99 26.91 1zts n HIS 138 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92