#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts n LEU 2 N 0.00 0.00 -2.81 -0.89 4.77 -1.26 -4.80 117.00 112.00 1zts n LEU 2 Ca 0.00 1.01 -0.11 0.00 -0.03 0.00 0.00 56.01 56.88 1zts n LEU 2 Cb 0.00 -2.85 0.06 0.00 -2.33 0.00 0.00 43.42 38.30 1zts n LEU 2 CO 0.00 -2.33 0.18 -0.11 -1.33 0.00 0.00 177.39 173.81 1zts n LEU 3 N 0.00 -0.92 -4.26 2.23 0.00 -1.26 -5.13 117.00 107.66 1zts n LEU 3 Ca 0.01 -3.94 -0.17 0.00 0.00 0.00 0.00 56.01 51.91 1zts n LEU 3 Cb 0.43 0.57 -0.09 0.00 0.00 0.00 0.00 43.42 44.33 1zts n LEU 3 CO 0.01 2.00 -0.16 0.27 0.00 0.00 0.00 177.39 179.50 1zts s ILE 4 N -0.90 0.02 0.03 1.96 -4.36 -1.26 -5.13 121.20 111.56 1zts s ILE 4 Ca 0.27 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.74 1zts s ILE 4 Cb 0.36 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1zts s ILE 4 CO -0.05 0.00 -0.23 0.28 0.24 0.00 0.00 174.94 175.18 1zts s THR 5 N -3.69 2.38 -1.02 8.37 -1.32 -1.26 -5.01 115.64 114.10 1zts s THR 5 Ca 0.40 -1.24 0.14 0.00 -1.21 0.00 0.00 61.69 59.78 1zts s THR 5 Cb 0.04 -1.94 0.12 0.00 -1.51 0.00 0.00 72.50 69.22 1zts s THR 5 CO 0.22 0.41 1.45 -0.81 -2.21 0.00 0.00 174.62 173.67 1zts n PRO 6 N 1.85 0.01 0.07 7.08 -0.04 -1.26 -2.44 135.00 140.26 1zts n PRO 6 Ca -0.17 0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1zts n PRO 6 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1zts n PRO 6 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zts h ASP 7 N 0.00 0.01 0.26 3.54 1.82 -1.96 -3.29 116.42 116.79 1zts h ASP 7 Ca 0.00 -0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.39 1zts h ASP 7 Cb 0.24 -0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.26 1zts h ASP 7 CO 0.00 0.97 -1.01 -0.33 -1.61 0.00 0.00 179.24 177.26 1zts h GLU 8 N 0.00 0.49 -0.57 0.28 4.39 -1.91 -2.88 114.58 114.38 1zts h GLU 8 Ca -0.01 -0.55 0.10 0.00 0.34 0.00 0.00 59.36 59.24 1zts h GLU 8 Cb 1.72 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 30.45 1zts h GLU 8 CO 0.13 1.19 0.15 1.25 -1.16 0.00 0.00 179.01 180.57 1zts h LEU 9 N 0.26 0.07 -0.45 1.33 5.85 -1.63 0.18 115.31 120.92 1zts h LEU 9 Ca -0.10 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1zts h LEU 9 Cb 1.66 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1zts h LEU 9 CO 0.18 0.05 -0.55 0.07 -0.34 0.00 0.00 178.44 177.86 1zts h LYS 10 N 0.30 0.65 -0.45 1.25 2.10 -1.65 0.27 116.57 119.04 1zts h LYS 10 Ca 0.29 -0.41 -0.04 0.00 -2.00 0.00 0.00 60.65 58.49 1zts h LYS 10 Cb 0.40 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1zts h LYS 10 CO -0.35 1.03 0.10 1.03 -2.00 0.00 0.00 179.45 179.26 1zts h SER 11 N 0.50 0.63 0.02 7.07 0.87 -1.03 -3.22 113.55 118.39 1zts h SER 11 Ca 0.01 -0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.30 1zts h SER 11 Cb 1.11 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1zts h SER 11 CO 0.11 0.64 -0.88 0.22 -0.53 0.00 0.00 176.83 176.38 1zts h TYR 12 N 0.66 0.06 -4.10 2.24 5.03 -0.61 -3.47 116.97 116.79 1zts h TYR 12 Ca 0.15 -0.04 -0.50 0.00 2.58 0.00 0.00 58.73 60.91 1zts h TYR 12 Cb 0.26 -0.00 0.18 0.00 1.55 0.00 0.00 36.73 38.72 1zts h TYR 12 CO 0.01 1.34 0.21 0.45 -1.32 0.00 0.00 178.16 178.86 1zts s SER 13 N -6.68 2.97 -0.03 -2.11 0.15 0.96 -4.98 113.70 103.99 1zts s SER 13 Ca -0.24 1.93 0.10 0.00 0.70 0.00 0.00 55.95 58.43 1zts s SER 13 Cb 0.03 -2.47 -0.15 0.00 -1.71 0.00 0.00 66.02 61.72 1zts s SER 13 CO 0.65 -3.02 0.19 1.33 1.20 0.00 0.00 173.24 173.59 1zts n VAL 14 N -4.17 0.09 -1.65 4.45 0.24 -1.26 -4.82 118.33 111.22 1zts n VAL 14 Ca 0.09 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.71 1zts n VAL 14 Cb 0.53 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 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 -2.63 1.23 0.61 6.34 0.08 -1.26 -4.82 117.98 117.53 1zts s PHE 15 Ca -0.04 0.46 0.32 0.00 0.12 0.00 0.00 56.93 57.79 1zts s PHE 15 Cb 0.06 -3.97 1.84 0.00 -0.57 0.00 0.00 43.02 40.38 1zts s PHE 15 CO 0.42 -4.12 2.17 1.49 -0.10 0.00 0.00 175.22 175.07 1zts h GLU 16 N 14.48 0.00 -0.66 0.44 4.81 -1.98 -0.93 114.58 130.75 1zts h GLU 16 Ca -0.41 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.75 1zts h GLU 16 Cb 1.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1zts h GLU 16 CO 0.96 0.00 0.14 1.03 -0.73 0.00 0.00 179.01 180.42 1zts h SER 17 N 0.00 0.99 0.52 1.04 0.87 -1.95 0.26 113.55 115.28 1zts h SER 17 Ca 0.04 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.21 1zts h SER 17 Cb 0.31 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1zts h SER 17 CO -0.00 0.96 -0.81 0.58 -0.53 0.00 0.00 176.83 177.04 1zts h VAL 18 N 0.99 1.47 0.00 2.23 2.07 -1.46 -2.51 116.25 119.04 1zts h VAL 18 Ca 0.21 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.23 1zts h VAL 18 Cb 0.37 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1zts h VAL 18 CO 0.00 0.72 -0.25 0.11 0.02 0.00 0.00 177.57 178.17 1zts h LYS 19 N 0.13 0.00 0.16 1.57 1.57 -1.26 -3.31 116.57 115.43 1zts h LYS 19 Ca -0.03 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 1zts h LYS 19 Cb 1.40 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.74 1zts h LYS 19 CO 0.12 0.21 -0.96 1.79 -0.57 0.00 0.00 179.45 180.05 1zts h THR 20 N 0.00 1.46 -3.30 -0.16 1.35 -0.43 -3.47 112.91 108.36 1zts h THR 20 Ca -0.00 -2.55 -0.55 0.00 -0.55 0.00 0.00 66.41 62.75 1zts h THR 20 Cb 1.17 3.14 0.20 0.00 -1.73 0.00 0.00 68.15 70.93 1zts h THR 20 CO 0.03 0.73 -0.46 0.54 -0.25 0.00 0.00 175.52 176.12 1zts n ARG 21 N -4.04 0.09 -0.36 4.72 1.74 -0.95 -4.99 116.66 112.87 1zts n ARG 21 Ca -0.14 0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 56.91 1zts n ARG 21 Cb 0.88 -1.85 0.09 0.00 -1.02 0.00 0.00 32.46 30.56 1zts n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1zts n PRO 22 N -1.11 -1.76 -0.01 5.56 -0.04 -1.26 -4.93 135.00 131.45 1zts n PRO 22 Ca 0.09 -0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 62.79 1zts n PRO 22 Cb 0.51 -0.57 -0.14 0.00 -0.04 0.00 0.00 33.50 33.26 1zts n PRO 22 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1zts n ASP 23 N -3.65 1.53 0.02 3.54 5.68 -1.26 -3.42 116.55 118.99 1zts n ASP 23 Ca 0.05 0.32 -0.12 0.00 -0.50 0.00 0.00 54.79 54.54 1zts n ASP 23 Cb 0.20 -0.49 -0.08 0.00 -1.14 0.00 0.00 41.12 39.62 1zts n ASP 23 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1zts h GLU 24 N 0.04 0.01 -0.22 0.11 4.81 -2.00 -1.98 114.58 115.35 1zts h GLU 24 Ca -0.35 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1zts h GLU 24 Cb 2.03 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.39 1zts h GLU 24 CO 0.09 0.19 0.12 -0.07 -0.73 0.00 0.00 179.01 178.60 1zts h LEU 25 N -0.17 0.28 -0.62 1.64 3.38 -1.97 -2.84 115.31 115.01 1zts h LEU 25 Ca 0.00 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1zts h LEU 25 Cb 0.18 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1zts h LEU 25 CO -0.00 0.30 0.22 -0.07 0.09 0.00 0.00 178.44 178.97 1zts h LEU 26 N 0.24 0.19 -0.62 1.67 3.38 -1.56 -1.38 115.31 117.22 1zts h LEU 26 Ca 0.08 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1zts h LEU 26 Cb 0.08 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1zts h LEU 26 CO -0.01 0.11 0.20 0.11 0.09 0.00 0.00 178.44 178.93 1zts h LYS 27 N 0.38 0.34 -0.23 1.13 1.57 -1.12 0.27 116.57 118.92 1zts h LYS 27 Ca 0.32 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1zts h LYS 27 Cb 0.42 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1zts h LYS 27 CO -0.33 0.23 -0.08 1.96 -0.57 0.00 0.00 179.45 180.65 1zts h GLN 28 N 0.35 -0.03 -0.80 3.15 4.20 -1.10 -1.01 115.11 119.86 1zts h GLN 28 Ca 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1zts h GLN 28 Cb 0.43 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1zts h GLN 28 CO -0.35 -0.02 0.39 0.22 -0.67 0.00 0.00 178.83 178.40 1zts h ASP 29 N -0.04 1.05 -0.91 1.46 -0.00 -1.06 -1.75 116.42 115.17 1zts h ASP 29 Ca 0.12 -0.13 0.03 0.00 -0.00 0.00 0.00 57.03 57.05 1zts h ASP 29 Cb 0.21 -0.27 -0.05 0.00 -0.00 0.00 0.00 39.33 39.22 1zts h ASP 29 CO -0.25 0.89 0.60 0.40 -0.00 0.00 0.00 179.24 180.87 1zts h ILE 30 N 1.14 1.16 0.00 2.25 2.04 -0.25 0.70 117.51 124.55 1zts h ILE 30 Ca 0.28 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 1zts h ILE 30 Cb 0.11 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1zts h ILE 30 CO -0.04 0.21 -0.57 -0.07 0.00 0.00 0.00 178.15 177.69 1zts h LEU 31 N 1.15 0.00 -0.06 1.44 3.38 -0.77 -3.01 115.31 117.45 1zts h LEU 31 Ca 0.36 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.24 1zts h LEU 31 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1zts h LEU 31 CO -0.11 0.57 -0.43 -0.33 0.09 0.00 0.00 178.44 178.23 1zts h GLU 32 N 0.00 0.00 -0.11 1.13 3.07 -0.38 -3.29 114.58 115.00 1zts h GLU 32 Ca -0.01 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 1zts h GLU 32 Cb 1.15 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1zts h GLU 32 CO 0.07 0.43 -0.60 0.00 -1.40 0.00 0.00 179.01 177.52 1zts h ALA 33 N 1.57 0.22 -0.08 3.43 0.00 -0.78 -3.10 119.26 120.51 1zts h ALA 33 Ca -0.00 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1zts h ALA 33 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1zts h ALA 33 CO 0.06 0.47 0.19 0.00 0.00 0.00 0.00 179.25 179.97 1zts h THR 34 N 0.24 0.20 0.00 0.00 1.03 -1.60 0.85 112.91 113.64 1zts h THR 34 Ca -0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.29 1zts h THR 34 Cb 1.24 0.83 -0.01 0.00 -1.07 0.00 0.00 68.15 69.14 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 1.70 1.38 0.02 0.00 0.00 -1.65 -1.92 119.26 118.78 1zts h ALA 35 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1zts h ALA 35 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zts h ALA 35 CO -0.00 0.39 -0.01 0.22 0.00 0.00 0.00 179.25 179.85 1zts h ASP 36 N 0.00 -0.02 0.24 0.00 3.58 -0.97 -2.83 116.42 116.41 1zts h ASP 36 Ca -0.00 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 56.71 1zts h ASP 36 Cb 0.59 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1zts h ASP 36 CO 0.04 0.78 -0.25 0.40 -2.88 0.00 0.00 179.24 177.33 1zts h ILE 37 N -0.88 0.47 -0.69 2.25 2.04 -1.51 -1.99 117.51 117.20 1zts h ILE 37 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1zts h ILE 37 Cb 0.76 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1zts h ILE 37 CO 0.00 0.00 0.46 0.40 0.00 0.00 0.00 178.15 179.01 1zts h ILE 38 N -0.52 0.90 0.00 -0.67 2.04 -1.50 0.19 117.51 117.95 1zts h ILE 38 Ca -0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1zts h ILE 38 Cb 0.49 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1zts h ILE 38 CO -0.06 0.09 -0.12 -0.07 0.00 0.00 0.00 178.15 178.00 1zts h LEU 39 N 0.52 0.00 0.06 1.44 3.38 -1.12 0.27 115.31 119.86 1zts h LEU 39 Ca 0.32 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.10 1zts h LEU 39 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1zts h LEU 39 CO -0.10 0.12 -0.96 0.11 0.09 0.00 0.00 178.44 177.69 1zts h LYS 40 N 0.00 0.12 0.00 1.13 1.57 -0.08 -3.34 116.57 115.97 1zts h LYS 40 Ca -0.00 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1zts h LYS 40 Cb 0.46 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1zts h LYS 40 CO 0.02 1.10 -0.18 -0.39 -0.57 0.00 0.00 179.45 179.42 1zts h VAL 41 N -0.67 0.38 -0.33 0.50 -1.51 -1.22 -3.46 116.25 109.94 1zts h VAL 41 Ca -0.22 -1.16 -0.11 0.00 -1.23 0.00 0.00 66.70 63.98 1zts h VAL 41 Cb 1.44 1.87 -0.04 0.00 -2.13 0.00 0.00 31.29 32.43 1zts h VAL 41 CO -0.02 0.18 -0.10 0.61 -1.23 0.00 0.00 177.57 177.01 1zts n GLY 42 N 0.50 0.67 3.32 5.19 0.00 0.95 -2.59 105.19 113.22 1zts n GLY 42 Ca 0.01 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.20 -0.39 0.54 1.61 3.76 -1.12 -4.97 115.29 112.52 1zts s HIS 43 Ca 0.00 0.85 0.05 0.00 -0.15 0.00 0.00 55.06 55.81 1zts s HIS 43 Cb 0.00 0.17 0.04 0.00 1.11 0.00 0.00 32.58 33.89 1zts s HIS 43 CO 0.00 -0.32 0.39 0.16 -0.85 0.00 0.00 174.74 174.12 1zts s ASP 44 N -0.45 4.62 -0.45 1.40 1.47 -1.26 -4.60 116.67 117.40 1zts s ASP 44 Ca -0.06 -1.25 0.07 0.00 1.18 0.00 0.00 52.55 52.49 1zts s ASP 44 Cb -0.03 0.41 0.40 0.00 -0.34 0.00 0.00 42.92 43.36 1zts s ASP 44 CO 0.03 -1.09 1.03 0.49 0.68 0.00 0.00 175.17 176.31 1zts n PHE 45 N -1.75 3.06 -0.01 2.11 3.72 -1.26 -4.83 117.46 118.50 1zts n PHE 45 Ca -0.02 -3.30 -0.18 0.00 -0.05 0.00 0.00 57.45 53.89 1zts n PHE 45 Cb 0.64 -0.23 -0.14 0.00 -0.94 0.00 0.00 39.48 38.81 1zts n PHE 45 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1zts h SER 46 N 2.75 0.26 -1.55 4.37 0.02 -1.98 -3.44 113.55 113.98 1zts h SER 46 Ca 0.19 -0.92 -0.67 0.00 -0.84 0.00 0.00 61.79 59.56 1zts h SER 46 Cb 0.87 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1zts h SER 46 CO 0.77 1.30 1.19 0.47 -1.14 0.00 0.00 176.83 179.43 1zts n ASP 47 N -4.28 2.68 0.32 3.07 10.43 -1.26 -4.79 116.55 122.71 1zts n ASP 47 Ca -0.16 0.75 0.20 0.00 2.57 0.00 0.00 54.79 58.15 1zts n ASP 47 Cb 0.71 -1.28 1.07 0.00 1.84 0.00 0.00 41.12 43.45 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zts h ALA 48 N 10.20 1.24 -0.65 2.24 0.00 -1.99 0.33 119.26 130.63 1zts h ALA 48 Ca -0.40 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 1zts h ALA 48 Cb 1.30 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1zts h ALA 48 CO 0.98 -0.08 0.32 -0.85 0.00 0.00 0.00 179.25 179.61 1zts n GLU 49 N -3.28 2.79 -2.68 0.00 0.28 -1.26 -4.36 120.64 112.12 1zts n GLU 49 Ca -0.02 -2.40 -0.05 0.00 -0.16 0.00 0.00 57.16 54.53 1zts n GLU 49 Cb 0.15 -1.99 0.10 0.00 1.43 0.00 0.00 31.44 31.13 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1zts n TYR 50 N -0.29 -1.24 -3.35 -1.84 4.19 0.10 -4.80 117.16 109.93 1zts n TYR 50 Ca 0.37 -1.20 -0.31 0.00 3.31 0.00 0.00 57.90 60.07 1zts n TYR 50 Cb 1.26 1.33 -0.06 0.00 0.49 0.00 0.00 39.34 42.36 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 0.41 3.02 -2.26 2.97 5.41 -1.22 -4.64 119.36 123.04 1zts n ILE 51 Ca -0.02 -5.37 -0.35 0.00 1.00 0.00 0.00 62.75 58.00 1zts n ILE 51 Cb 0.74 -2.10 -0.00 0.00 -0.71 0.00 0.00 39.64 37.57 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 -2.51 3.44 -0.45 0.38 0.04 -1.26 -5.03 135.00 129.61 1zts s PRO 52 Ca 0.37 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1zts s PRO 52 Cb 0.12 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 32.77 1zts s PRO 52 CO 0.01 -0.79 0.54 -0.11 0.04 0.00 0.00 177.00 176.69 1zts n LEU 53 N -1.14 -1.61 0.00 -3.56 7.94 -1.26 -5.07 117.00 112.30 1zts n LEU 53 Ca 0.11 -3.84 -0.00 0.00 -1.11 0.00 0.00 56.01 51.17 1zts n LEU 53 Cb 0.50 0.65 0.00 0.00 0.53 0.00 0.00 43.42 45.11 1zts n LEU 53 CO 0.43 1.92 0.00 -0.81 -1.11 0.00 0.00 177.39 177.82 1zts n PRO 54 N 2.61 -1.02 0.13 1.96 -0.04 -1.26 -4.89 135.00 132.48 1zts n PRO 54 Ca 0.23 -0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 1zts n PRO 54 Cb 0.52 -0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.01 0.54 4.81 -2.00 -3.25 114.58 114.68 1zts h GLU 55 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1zts h GLU 55 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1zts h GLU 55 CO 0.00 0.16 -0.14 1.79 -0.73 0.00 0.00 179.01 180.09 1zts h THR 56 N 0.00 1.56 -0.21 0.32 1.35 -1.93 -3.11 112.91 110.89 1zts h THR 56 Ca -0.03 -1.84 0.01 0.00 -0.55 0.00 0.00 66.41 64.00 1zts h THR 56 Cb 1.19 2.74 -0.02 0.00 -1.73 0.00 0.00 68.15 70.34 1zts h THR 56 CO 0.02 0.49 0.11 0.58 -0.25 0.00 0.00 175.52 176.47 1zts h VAL 57 N -0.59 1.00 -0.75 6.82 2.07 -1.83 0.22 116.25 123.19 1zts h VAL 57 Ca -0.02 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1zts h VAL 57 Cb 0.88 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 1zts h VAL 57 CO 0.03 0.04 0.31 0.03 0.02 0.00 0.00 177.57 178.00 1zts h ARG 58 N 0.23 0.45 -0.05 1.57 3.08 -1.67 0.46 114.38 118.45 1zts h ARG 58 Ca 0.08 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1zts h ARG 58 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1zts h ARG 58 CO -0.05 0.30 -0.21 1.25 -1.07 0.00 0.00 179.97 180.18 1zts h LEU 59 N 0.46 0.27 -0.70 3.04 5.85 -1.39 -1.65 115.31 121.20 1zts h LEU 59 Ca 0.41 -0.64 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1zts h LEU 59 Cb 0.61 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 1zts h LEU 59 CO -0.39 0.87 0.23 0.00 -0.34 0.00 0.00 178.44 178.81 1zts h ALA 60 N 0.41 0.93 -0.21 1.25 0.00 0.08 -0.07 119.26 121.65 1zts h ALA 60 Ca -0.01 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1zts h ALA 60 Cb 0.86 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1zts h ALA 60 CO 0.04 -0.25 -0.69 1.25 0.00 0.00 0.00 179.25 179.61 1zts h LEU 61 N 0.37 0.95 -0.97 0.00 7.12 -0.98 -2.30 115.31 119.49 1zts h LEU 61 Ca 0.38 -0.58 0.07 0.00 0.13 0.00 0.00 57.88 57.88 1zts h LEU 61 Cb 0.57 -0.28 -0.07 0.00 -0.53 0.00 0.00 40.66 40.35 1zts h LEU 61 CO -0.41 1.38 0.62 -0.07 -0.13 0.00 0.00 178.44 179.83 1zts h LEU 62 N 0.59 0.98 -0.06 2.25 3.38 -0.25 0.26 115.31 122.46 1zts h LEU 62 Ca -0.03 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1zts h LEU 62 Cb 1.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1zts h LEU 62 CO 0.14 0.61 -0.26 0.11 0.09 0.00 0.00 178.44 179.13 1zts h LYS 63 N 1.11 0.29 -0.81 1.13 1.79 -1.04 -3.13 116.57 115.91 1zts h LYS 63 Ca 0.43 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1zts h LYS 63 Cb 0.21 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 1zts h LYS 63 CO -0.19 0.87 0.54 -0.07 -1.08 0.00 0.00 179.45 179.51 1zts h LEU 64 N -0.22 0.93 -1.47 2.94 3.38 -1.01 -1.29 115.31 118.56 1zts h LEU 64 Ca -0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1zts h LEU 64 Cb 0.91 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1zts h LEU 64 CO 0.05 0.67 0.45 -1.28 0.09 0.00 0.00 178.44 178.43 1zts h SER 65 N 1.09 0.55 0.21 -0.43 0.87 -0.55 -1.62 113.55 113.68 1zts h SER 65 Ca 0.30 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.60 1zts h SER 65 Cb -0.13 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1zts h SER 65 CO -0.06 0.34 -1.10 -0.61 -0.53 0.00 0.00 176.83 174.86 1zts h GLN 66 N 0.61 0.54 0.05 2.24 -0.00 -1.30 -2.43 115.11 114.82 1zts h GLN 66 Ca 0.31 -0.66 0.03 0.00 -0.00 0.00 0.00 58.65 58.32 1zts h GLN 66 Cb 0.40 0.20 -0.04 0.00 0.00 0.00 0.00 27.48 28.05 1zts h GLN 66 CO -0.10 1.27 -0.25 0.35 0.00 0.00 0.00 178.83 180.09 1zts h PHE 67 N 0.27 -0.68 0.19 3.99 3.04 -0.31 0.24 116.94 123.69 1zts h PHE 67 Ca -0.14 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 1zts h PHE 67 Cb 1.76 0.29 0.00 0.00 2.56 0.00 0.00 35.95 40.57 1zts h PHE 67 CO 0.09 -0.35 -0.09 1.88 -2.02 0.00 0.00 178.31 177.82 1zts h TYR 68 N -0.42 -0.23 -0.60 0.41 0.05 -1.54 -2.78 116.97 111.85 1zts h TYR 68 Ca 0.05 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 59.00 1zts h TYR 68 Cb 0.48 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1zts h TYR 68 CO -0.27 0.11 0.48 0.00 -1.05 0.00 0.00 178.16 177.43 1zts h ALA 69 N 0.11 2.48 -0.09 3.88 0.00 -1.34 0.10 119.26 124.40 1zts h ALA 69 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1zts h ALA 69 Cb 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1zts h ALA 69 CO 0.04 -0.79 -0.16 1.25 0.00 0.00 0.00 179.25 179.59 1zts h LEU 70 N 0.00 0.30 -3.13 0.00 5.85 -0.32 -3.09 115.31 114.92 1zts h LEU 70 Ca 0.29 -0.54 -0.14 0.00 0.84 0.00 0.00 57.88 58.32 1zts h LEU 70 Cb 1.25 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 1zts h LEU 70 CO -0.00 0.79 0.18 2.30 -0.34 0.00 0.00 178.44 181.36 1zts n ILE 71 N -4.58 2.29 -0.06 4.05 -5.35 -0.27 -3.76 119.36 111.68 1zts n ILE 71 Ca -0.07 -1.19 -0.12 0.00 -0.27 0.00 0.00 62.75 61.10 1zts n ILE 71 Cb 0.38 -0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 37.80 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 0.04 1.70 -1.62 7.28 4.13 0.19 -4.60 115.26 122.39 1zts n ASN 72 Ca 0.30 0.08 -0.16 0.00 1.68 0.00 0.00 54.58 56.48 1zts n ASN 72 Cb 1.12 -0.31 0.12 0.00 -1.54 0.00 0.00 39.78 39.16 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 2.45 5.61 0.12 7.41 0.00 -1.17 -4.49 105.19 115.12 1zts n GLY 73 Ca -0.24 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 43.88 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 1.57 0.00 -5.77 1.61 -0.00 -1.83 -3.48 116.42 108.52 1zts h ASP 74 Ca 0.32 0.00 -0.43 0.00 -0.00 0.00 0.00 57.03 56.92 1zts h ASP 74 Cb 1.44 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 40.70 1zts h ASP 74 CO 0.69 0.53 -0.65 1.21 -0.00 0.00 0.00 179.24 181.02 1zts n GLU 75 N -3.06 -4.09 -0.76 0.28 2.13 -1.26 -4.74 120.64 109.15 1zts n GLU 75 Ca -0.03 0.53 -0.04 0.00 0.66 0.00 0.00 57.16 58.28 1zts n GLU 75 Cb 0.78 -5.31 -0.04 0.00 0.27 0.00 0.00 31.44 27.14 1zts n GLU 75 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zts n SER 76 N -2.51 -0.56 -3.66 4.31 3.41 -1.26 -5.10 113.62 108.26 1zts n SER 76 Ca 0.01 -1.43 -0.20 0.00 -0.26 0.00 0.00 58.87 56.99 1zts n SER 76 Cb 0.54 0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 64.48 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zts s ILE 77 N 0.00 -0.16 0.52 -1.33 1.01 -1.26 -4.51 121.20 115.47 1zts s ILE 77 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 1zts s ILE 77 Cb 0.00 -0.26 -0.08 0.00 0.01 0.00 0.00 42.46 42.12 1zts s ILE 77 CO 0.00 0.10 0.81 0.00 0.00 0.00 0.00 174.94 175.85 1zts n ILE 78 N 5.31 2.73 -2.99 2.92 3.06 -1.26 -3.37 119.36 125.76 1zts n ILE 78 Ca -0.04 -0.50 -0.09 0.00 -2.50 0.00 0.00 62.75 59.62 1zts n ILE 78 Cb 0.50 -0.96 0.01 0.00 0.54 0.00 0.00 39.64 39.73 1zts n ILE 78 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1zts n LYS 79 N -0.24 -2.29 0.00 9.51 0.00 -1.26 -3.75 118.16 120.14 1zts n LYS 79 Ca 0.12 1.98 0.00 0.00 0.00 0.00 0.00 58.31 60.40 1zts n LYS 79 Cb 0.44 -4.08 0.00 0.00 0.00 0.00 0.00 35.03 31.40 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zts n GLY 80 N 0.35 0.74 0.44 3.14 0.00 -1.25 -4.15 105.19 104.47 1zts n GLY 80 Ca 0.02 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.30 1zts n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1zts h TYR 81 N 0.00 0.03 0.00 1.61 -0.00 -1.78 -3.25 116.97 113.58 1zts h TYR 81 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.55 1zts h TYR 81 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 36.73 36.58 1zts h TYR 81 CO 0.00 0.01 -0.27 2.41 -0.00 0.00 0.00 178.16 180.30 1zts n THR 82 N -4.31 0.00 -3.65 -0.90 -1.04 -1.26 -4.74 114.28 98.38 1zts n THR 82 Ca 0.16 -1.12 -0.14 0.00 -2.04 0.00 0.00 64.05 60.92 1zts n THR 82 Cb 0.86 0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 70.21 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 0.15 -0.40 0.94 12.58 -4.23 -1.23 -5.16 115.64 118.29 1zts s THR 83 Ca 0.13 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1zts s THR 83 Cb 0.40 -0.44 0.24 0.00 1.34 0.00 0.00 72.50 74.04 1zts s THR 83 CO -0.11 0.10 0.54 -0.62 -0.54 0.00 0.00 174.62 173.99 1zts n GLU 84 N 5.35 -3.58 -2.01 3.99 1.02 -1.26 -4.43 120.64 119.71 1zts n GLU 84 Ca -0.06 -0.91 -0.41 0.00 -0.02 0.00 0.00 57.16 55.77 1zts n GLU 84 Cb 0.50 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 1zts n GLU 84 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1zts s LYS 85 N -4.19 2.97 0.01 3.49 -2.85 -1.26 -4.80 119.74 113.11 1zts s LYS 85 Ca 0.42 1.05 0.23 0.00 -1.00 0.00 0.00 55.97 56.66 1zts s LYS 85 Cb -0.07 -4.29 0.15 0.00 -2.06 0.00 0.00 37.83 31.55 1zts s LYS 85 CO 0.35 -2.30 1.15 -0.89 0.10 0.00 0.00 175.35 173.76 1zts n ILE 86 N 7.34 0.04 0.00 3.79 5.41 -1.26 -5.02 119.36 129.66 1zts n ILE 86 Ca 0.22 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1zts n ILE 86 Cb 0.50 0.48 0.00 0.00 -0.71 0.00 0.00 39.64 39.91 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 1.47 1.85 3.72 7.39 0.00 -1.26 -5.10 105.19 113.26 1zts n GLY 87 Ca 0.04 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1zts n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zts s ASP 88 N -3.14 4.11 -0.27 1.61 -0.00 -1.26 -5.01 116.67 112.72 1zts s ASP 88 Ca 0.00 2.31 -0.03 0.00 -0.00 0.00 0.00 52.55 54.83 1zts s ASP 88 Cb 0.00 -2.58 0.02 0.00 -0.00 0.00 0.00 42.92 40.36 1zts s ASP 88 CO 0.00 -2.32 -0.01 -0.72 -0.00 0.00 0.00 175.17 172.12 1zts s TYR 89 N -2.09 3.11 -0.11 4.23 -0.85 -1.26 -4.95 117.35 115.43 1zts s TYR 89 Ca 0.73 -1.39 0.19 0.00 -0.52 0.00 0.00 57.07 56.08 1zts s TYR 89 Cb -0.28 -2.13 0.43 0.00 0.38 0.00 0.00 41.96 40.37 1zts s TYR 89 CO 0.47 -0.69 1.19 0.43 -1.52 0.00 0.00 175.55 175.43 1zts n SER 90 N 4.73 1.48 -3.15 -0.18 7.64 -1.26 -4.92 113.62 117.96 1zts n SER 90 Ca -0.16 -2.86 -0.35 0.00 1.01 0.00 0.00 58.87 56.51 1zts n SER 90 Cb 0.47 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.27 2.12 -1.63 1.43 4.01 -1.25 -4.19 117.16 117.38 1zts n TYR 91 Ca 0.13 -2.80 -0.26 0.00 -0.16 0.00 0.00 57.90 54.81 1zts n TYR 91 Cb 0.94 -2.21 -0.05 0.00 -0.31 0.00 0.00 39.34 37.71 1zts n TYR 91 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1zts s THR 92 N 1.16 3.06 0.71 -0.72 2.01 -1.26 -4.51 115.64 116.09 1zts s THR 92 Ca 0.66 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 1zts s THR 92 Cb 0.21 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1zts s THR 92 CO -0.07 -0.15 0.68 0.18 -0.69 0.00 0.00 174.62 174.58 1zts n LEU 93 N 16.69 1.76 -0.20 4.42 4.77 -1.20 -4.46 117.00 138.78 1zts n LEU 93 Ca 0.40 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1zts n LEU 93 Cb 0.49 -1.28 0.11 0.00 -2.33 0.00 0.00 43.42 40.41 1zts n LEU 93 CO 0.63 -2.73 0.93 1.23 -1.33 0.00 0.00 177.39 176.12 1zts h GLY 94 N -0.28 0.77 1.26 -0.72 0.00 -1.91 0.16 103.07 102.35 1zts h GLY 94 Ca -0.46 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 46.91 1zts h GLY 94 CO 0.44 -0.10 0.29 -0.55 0.00 0.00 0.00 176.54 176.63 1zts h ASP 95 N 0.28 0.00 0.00 0.19 3.32 -1.98 -3.45 116.42 114.78 1zts h ASP 95 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1zts h ASP 95 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1zts h ASP 95 CO -0.38 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.75 1zts n GLY 96 N -1.46 1.00 3.87 2.75 0.00 0.57 -5.10 105.19 106.83 1zts n GLY 96 Ca 0.04 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 6.28 -1.01 1.61 0.01 -1.26 -4.91 113.70 112.42 1zts s SER 97 Ca 0.00 0.39 -0.20 0.00 1.31 0.00 0.00 55.95 57.46 1zts s SER 97 Cb 0.00 -1.99 0.10 0.00 0.21 0.00 0.00 66.02 64.35 1zts s SER 97 CO 0.00 0.36 1.30 -0.55 0.41 0.00 0.00 173.24 174.76 1zts s SER 98 N -1.34 6.64 -0.57 2.44 0.15 -1.26 -3.21 113.70 116.56 1zts s SER 98 Ca 0.19 -1.96 -0.26 0.00 0.70 0.00 0.00 55.95 54.62 1zts s SER 98 Cb -0.12 -2.47 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 1zts s SER 98 CO 0.09 -1.19 2.42 -0.11 1.20 0.00 0.00 173.24 175.66 1zts n LEU 99 N 7.36 2.14 -4.87 3.45 7.94 -1.26 -4.93 117.00 126.83 1zts n LEU 99 Ca 0.30 -0.71 -0.32 0.00 -1.11 0.00 0.00 56.01 54.17 1zts n LEU 99 Cb 0.49 -1.58 -0.05 0.00 0.53 0.00 0.00 43.42 42.80 1zts n LEU 99 CO 0.58 -1.79 0.25 -1.58 -1.11 0.00 0.00 177.39 173.74 1zts s GLN 100 N 8.44 3.82 0.95 1.96 2.00 -1.26 -4.98 119.66 130.60 1zts s GLN 100 Ca 0.98 0.32 -0.13 0.00 -2.00 0.00 0.00 55.36 54.53 1zts s GLN 100 Cb -0.19 -2.61 0.03 0.00 0.80 0.00 0.00 33.01 31.04 1zts s GLN 100 CO 0.23 0.28 0.39 1.63 -0.50 0.00 0.00 175.29 177.32 1zts n LYS 101 N -0.23 -0.30 -2.25 1.67 5.02 -1.26 -4.91 118.16 115.89 1zts n LYS 101 Ca 0.01 -0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.85 1zts n LYS 101 Cb 0.53 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.61 4.44 -1.13 1.97 0.04 -1.26 -4.91 135.00 130.53 1zts s PRO 102 Ca 0.57 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.46 1zts s PRO 102 Cb -0.21 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1zts s PRO 102 CO 0.68 -0.05 1.96 -3.47 0.04 0.00 0.00 177.00 176.16 1zts n ASP 103 N 0.90 3.43 -2.01 6.66 4.64 -1.26 -4.64 116.55 124.28 1zts n ASP 103 Ca -0.00 -2.77 -0.07 0.00 -1.38 0.00 0.00 54.79 50.57 1zts n ASP 103 Cb 0.43 -1.51 0.29 0.00 -1.04 0.00 0.00 41.12 39.29 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1zts n VAL 104 N 6.29 2.89 -0.03 5.18 0.24 -1.26 -4.47 118.33 127.17 1zts n VAL 104 Ca 0.49 -1.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.08 1zts n VAL 104 Cb 0.43 -0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 32.32 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 2.56 0.17 0.00 6.34 3.20 -1.99 -3.05 116.97 124.20 1zts h TYR 105 Ca 0.28 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1zts h TYR 105 Cb 2.34 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.57 1zts h TYR 105 CO 1.28 0.66 -0.12 0.00 -1.64 0.00 0.00 178.16 178.34 1zts h ALA 106 N 0.48 1.30 0.22 1.82 0.00 -1.99 -0.94 119.26 120.15 1zts h ALA 106 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1zts h ALA 106 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1zts h ALA 106 CO 0.02 0.15 -0.11 -0.07 0.00 0.00 0.00 179.25 179.24 1zts h LEU 107 N 0.00 -0.25 -0.85 0.00 3.38 -1.83 -2.96 115.31 112.80 1zts h LEU 107 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1zts h LEU 107 Cb 0.33 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1zts h LEU 107 CO 0.02 0.07 0.00 2.30 0.09 0.00 0.00 178.44 180.92 1zts n ILE 108 N -5.09 0.22 0.28 1.22 -5.35 -1.13 -4.04 119.36 105.48 1zts n ILE 108 Ca -0.09 -0.28 0.18 0.00 -0.27 0.00 0.00 62.75 62.29 1zts n ILE 108 Cb 0.23 0.18 0.95 0.00 -1.74 0.00 0.00 39.64 39.26 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 1.56 0.00 0.00 6.28 3.11 -0.99 0.24 116.57 126.77 1zts h LYS 109 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1zts h LYS 109 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1zts h LYS 109 CO 0.00 0.00 -0.37 -0.44 -2.81 0.00 0.00 179.45 175.83 1zts h ASP 110 N 0.00 0.00 -1.07 4.20 5.19 -1.78 -3.29 116.42 119.67 1zts h ASP 110 Ca 0.04 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.91 1zts h ASP 110 Cb 0.37 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 39.46 1zts h ASP 110 CO -0.00 0.37 -0.83 -1.22 -3.12 0.00 0.00 179.24 174.44 1zts n TYR 111 N -3.29 2.81 -3.76 4.55 4.02 0.82 -4.97 117.16 117.35 1zts n TYR 111 Ca 0.01 -2.64 -0.36 0.00 -0.01 0.00 0.00 57.90 54.90 1zts n TYR 111 Cb 0.61 -0.22 -0.11 0.00 -0.02 0.00 0.00 39.34 39.59 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 -4.84 3.35 -0.39 -0.72 1.01 -0.97 -4.75 120.40 113.10 1zts s VAL 112 Ca 0.46 -1.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.24 1zts s VAL 112 Cb 0.40 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1zts s VAL 112 CO -0.06 -0.67 0.51 1.17 0.00 0.00 0.00 175.10 176.05 1zts n LYS 113 N 4.62 -2.18 -0.48 2.72 4.81 -1.07 -4.99 118.16 121.60 1zts n LYS 113 Ca -0.03 1.85 -0.14 0.00 -0.87 0.00 0.00 58.31 59.11 1zts n LYS 113 Cb 0.41 -3.98 0.12 0.00 0.02 0.00 0.00 35.03 31.60 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1zts n PRO 114 N -0.01 -2.00 -2.73 1.64 -0.04 -1.26 -5.01 135.00 125.59 1zts n PRO 114 Ca 0.02 -0.81 -0.26 0.00 -0.04 0.00 0.00 63.50 62.42 1zts n PRO 114 Cb 0.49 -0.76 -0.02 0.00 -0.04 0.00 0.00 33.50 33.18 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 -3.86 4.67 -2.45 0.55 0.00 -1.26 -5.06 120.51 113.10 1zts n ALA 115 Ca -0.10 -4.39 -0.26 0.00 0.00 0.00 0.00 53.44 48.70 1zts n ALA 115 Cb 0.27 -0.66 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1zts n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zts s ASP 116 N -3.44 3.54 0.51 0.00 1.11 -1.26 -5.15 116.67 111.98 1zts s ASP 116 Ca 0.47 -0.93 0.00 0.00 0.18 0.00 0.00 52.55 52.27 1zts s ASP 116 Cb 0.35 -0.30 0.00 0.00 1.07 0.00 0.00 42.92 44.04 1zts s ASP 116 CO -0.15 0.08 0.00 -0.81 1.18 0.00 0.00 175.17 175.47 1zts n PRO 117 N -0.14 -0.03 -1.16 8.23 -0.04 -1.26 -4.84 135.00 135.76 1zts n PRO 117 Ca -0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.20 1zts n PRO 117 Cb 0.58 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.53 5.64 -0.04 3.54 2.03 -1.26 -4.09 116.55 120.85 1zts n ASP 118 Ca 0.00 -2.72 0.05 0.00 0.52 0.00 0.00 54.79 52.64 1zts n ASP 118 Cb 0.00 -1.36 -0.17 0.00 -0.72 0.00 0.00 41.12 38.88 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 1.97 0.01 -4.69 -2.67 -0.00 -1.26 -4.94 117.00 105.41 1zts n LEU 119 Ca 0.45 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 56.04 1zts n LEU 119 Cb 0.80 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.33 1zts n LEU 119 CO 0.19 0.15 1.40 -1.61 -0.00 0.00 0.00 177.39 177.52 1zts s GLU 120 N -3.22 4.16 4.48 1.47 2.02 -1.26 -4.72 118.70 121.65 1zts s GLU 120 Ca -0.09 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.38 1zts s GLU 120 Cb 0.12 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1zts s GLU 120 CO 0.89 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.79 1zts n GLY 121 N 4.11 3.19 1.36 -1.39 0.00 -1.26 -4.97 105.19 106.22 1zts n GLY 121 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1zts n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1zts n ILE 122 N 0.00 -3.78 -1.35 -0.61 5.41 -1.26 -4.71 119.36 113.06 1zts n ILE 122 Ca 0.00 1.73 -0.12 0.00 1.00 0.00 0.00 62.75 65.36 1zts n ILE 122 Cb 0.00 -2.53 -0.05 0.00 -0.71 0.00 0.00 39.64 36.35 1zts n ILE 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1zts n GLU 123 N -1.55 -1.39 -0.10 0.38 1.02 -1.26 -4.83 120.64 112.91 1zts n GLU 123 Ca 0.00 0.89 -0.22 0.00 -0.02 0.00 0.00 57.16 57.81 1zts n GLU 123 Cb 0.17 -5.16 -0.12 0.00 -0.02 0.00 0.00 31.44 26.32 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 1.20 0.08 0.62 0.00 -1.26 -4.23 120.51 118.14 1zts n ALA 124 Ca -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.35 1zts n ALA 124 Cb 0.53 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.35 0.00 -0.87 0.00 3.11 -1.99 -3.31 116.57 113.17 1zts h LYS 125 Ca -0.56 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.28 1zts h LYS 125 Cb 1.79 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.98 1zts h LYS 125 CO -0.16 0.68 0.55 0.28 -2.81 0.00 0.00 179.45 178.00 1zts h VAL 126 N 0.00 1.23 0.00 2.00 2.07 -1.96 -0.17 116.25 119.42 1zts h VAL 126 Ca -0.05 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1zts h VAL 126 Cb 1.63 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1zts h VAL 126 CO 0.09 0.23 -0.14 0.03 0.02 0.00 0.00 177.57 177.80 1zts h ARG 127 N 1.19 0.00 0.04 1.57 3.08 -1.74 0.24 114.38 118.77 1zts h ARG 127 Ca 0.32 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.24 1zts h ARG 127 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1zts h ARG 127 CO -0.06 0.14 -0.66 0.52 -1.07 0.00 0.00 179.97 178.84 1zts h MET 128 N 0.00 0.09 -0.05 0.04 2.86 -1.32 -3.26 114.93 113.27 1zts h MET 128 Ca -0.00 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.33 1zts h MET 128 Cb 0.58 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1zts h MET 128 CO 0.02 1.07 -0.70 -0.09 1.06 0.00 0.00 176.91 178.27 1zts h ARG 129 N -0.79 0.27 -1.51 1.72 2.43 -1.05 -3.21 114.38 112.24 1zts h ARG 129 Ca -0.15 -0.21 -0.68 0.00 -0.81 0.00 0.00 59.98 58.12 1zts h ARG 129 Cb 1.29 0.04 -0.26 0.00 -0.42 0.00 0.00 29.97 30.62 1zts h ARG 129 CO -0.02 0.86 0.90 0.43 -1.51 0.00 0.00 179.97 180.63 1zts n SER 130 N -3.81 7.49 -4.79 -3.80 7.64 0.85 -4.96 113.62 112.24 1zts n SER 130 Ca -0.03 -3.73 -0.30 0.00 1.01 0.00 0.00 58.87 55.83 1zts n SER 130 Cb 0.69 -1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 62.79 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 -4.61 4.56 0.00 0.44 2.07 -1.21 -4.83 121.20 117.62 1zts s ILE 131 Ca 0.57 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 1zts s ILE 131 Cb 0.46 -3.23 0.00 0.00 0.13 0.00 0.00 42.46 39.82 1zts s ILE 131 CO -0.19 0.07 0.77 0.18 -1.91 0.00 0.00 174.94 173.86 1zts n LEU 132 N 0.27 0.00 0.00 8.50 4.77 -1.26 -4.95 117.00 124.32 1zts n LEU 132 Ca -0.08 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1zts n LEU 132 Cb 0.52 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1zts n LEU 132 CO 0.44 -0.27 0.00 -1.84 -1.33 0.00 0.00 177.39 174.39 1zts n GLU 133 N -1.55 0.00 -2.50 3.23 0.28 -1.26 -5.01 120.64 113.82 1zts n GLU 133 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1zts n GLU 133 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 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 -2.01 -1.43 -3.77 -1.84 -0.00 -1.26 -4.84 115.22 100.08 1zts n HIS 134 Ca 0.00 0.04 -0.01 0.00 0.46 0.00 0.00 57.72 58.21 1zts n HIS 134 Cb 0.00 -2.85 0.01 0.00 -0.12 0.00 0.00 29.99 27.03 1zts n HIS 134 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1zts n HIS 135 N -3.47 -0.76 -1.74 1.57 -0.00 -1.26 -5.04 115.22 104.53 1zts n HIS 135 Ca -0.14 -0.59 -0.14 0.00 -0.00 0.00 0.00 57.72 56.85 1zts n HIS 135 Cb 0.61 0.28 0.11 0.00 -0.00 0.00 0.00 29.99 30.99 1zts n HIS 135 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1zts n HIS 136 N -0.43 1.77 -2.44 1.57 1.44 -1.26 -5.09 115.22 110.78 1zts n HIS 136 Ca 0.00 -1.99 0.12 0.00 -2.01 0.00 0.00 57.72 53.84 1zts n HIS 136 Cb 0.31 -0.45 -0.03 0.00 0.12 0.00 0.00 29.99 29.94 1zts n HIS 136 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1zts n HIS 137 N -0.92 -3.00 -2.67 -1.40 8.25 -1.26 -4.91 115.22 109.30 1zts n HIS 137 Ca 0.37 1.13 -0.05 0.00 -0.26 0.00 0.00 57.72 58.92 1zts n HIS 137 Cb 0.89 -2.01 0.06 0.00 1.12 0.00 0.00 29.99 30.05 1zts n HIS 137 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1zts n HIS 138 N -3.29 -0.99 -0.21 4.41 1.44 -1.26 -5.24 115.22 110.09 1zts n HIS 138 Ca 0.01 -1.06 0.00 0.00 -2.01 0.00 0.00 57.72 54.65 1zts n HIS 138 Cb 0.41 1.29 0.00 0.00 0.12 0.00 0.00 29.99 31.82 1zts n HIS 138 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11