#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f s SER 2 N 0.00 -0.48 0.00 7.83 0.15 -1.26 -5.09 113.70 114.85 1u6f s SER 2 Ca 0.00 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1u6f s SER 2 Cb 0.00 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 1u6f s SER 2 CO 0.00 -0.10 0.00 0.00 1.20 0.00 0.00 173.24 174.34 1u6f n GLN 3 N 4.35 0.00 -0.04 5.44 6.02 -1.26 -4.98 117.38 126.91 1u6f n GLN 3 Ca -0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.67 1u6f n GLN 3 Cb 0.55 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.68 1u6f n GLN 3 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1u6f h ILE 4 N 0.00 1.29 -4.19 5.09 2.04 -2.09 -3.47 117.51 116.17 1u6f h ILE 4 Ca 0.00 -2.35 -0.48 0.00 1.00 0.00 0.00 64.86 63.03 1u6f h ILE 4 Cb 0.00 2.85 0.07 0.00 -0.74 0.00 0.00 36.82 39.01 1u6f h ILE 4 CO 0.00 0.58 0.33 -2.16 0.00 0.00 0.00 178.15 176.90 1u6f s PRO 5 N -2.37 2.76 0.00 2.37 0.04 -1.26 -5.02 135.00 131.52 1u6f s PRO 5 Ca -0.21 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1u6f s PRO 5 Cb 0.02 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1u6f s PRO 5 CO 0.71 -0.99 0.00 1.28 0.04 0.00 0.00 177.00 178.04 1u6f n LEU 6 N -2.90 0.39 -1.49 -3.56 4.77 -1.26 -4.89 117.00 108.07 1u6f n LEU 6 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1u6f n LEU 6 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1u6f n LEU 6 CO 0.56 -0.14 -0.38 0.52 -1.33 0.00 0.00 177.39 176.62 1u6f n VAL 7 N -2.35 -5.39 -2.47 4.08 0.31 -1.26 -4.87 118.33 106.37 1u6f n VAL 7 Ca 0.00 2.15 -0.42 0.00 -0.01 0.00 0.00 64.34 66.06 1u6f n VAL 7 Cb 0.17 -3.12 -0.03 0.00 -0.91 0.00 0.00 33.84 29.95 1u6f n VAL 7 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u6f s SER 8 N -1.65 7.13 0.19 4.52 1.04 -1.26 -5.02 113.70 118.66 1u6f s SER 8 Ca 0.00 1.96 -0.12 0.00 0.48 0.00 0.00 55.95 58.27 1u6f s SER 8 Cb 0.00 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 1u6f s SER 8 CO 0.00 -0.43 0.38 -1.10 0.98 0.00 0.00 173.24 173.07 1u6f s GLN 9 N 1.02 1.31 -0.27 4.02 -1.52 -1.26 -5.09 119.66 117.88 1u6f s GLN 9 Ca 0.57 -1.14 -0.12 0.00 -1.95 0.00 0.00 55.36 52.72 1u6f s GLN 9 Cb -0.28 0.43 -0.12 0.00 -0.22 0.00 0.00 33.01 32.82 1u6f s GLN 9 CO 0.29 -0.52 -0.33 0.66 -0.25 0.00 0.00 175.29 175.14 1u6f n TYR 10 N -0.29 0.00 -1.55 0.91 4.01 -1.26 -4.90 117.16 114.08 1u6f n TYR 10 Ca -0.06 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.24 1u6f n TYR 10 Cb 0.63 -0.97 -0.04 0.00 -0.31 0.00 0.00 39.34 38.65 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1u6f n ASP 11 N -4.09 2.81 -4.69 7.72 9.92 -1.26 -4.89 116.55 122.07 1u6f n ASP 11 Ca -0.52 0.17 -0.44 0.00 -0.53 0.00 0.00 54.79 53.47 1u6f n ASP 11 Cb 0.89 -1.48 -0.04 0.00 -0.64 0.00 0.00 41.12 39.86 1u6f n ASP 11 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1u6f n PRO 12 N 8.65 2.50 -4.22 -0.24 -0.02 -1.26 -5.00 135.00 135.41 1u6f n PRO 12 Ca 0.34 0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 62.59 1u6f n PRO 12 Cb 0.40 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 1u6f n PRO 12 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1u6f s TYR 13 N 1.44 1.14 -0.04 6.00 -0.85 -1.26 -5.03 117.35 118.75 1u6f s TYR 13 Ca 0.78 -0.79 -0.02 0.00 -0.52 0.00 0.00 57.07 56.53 1u6f s TYR 13 Cb -0.58 -0.60 0.01 0.00 0.38 0.00 0.00 41.96 41.16 1u6f s TYR 13 CO 0.36 0.01 0.03 0.41 -1.52 0.00 0.00 175.55 174.84 1u6f n GLY 14 N -0.06 -3.26 0.20 5.49 0.00 -1.26 -5.01 105.19 101.29 1u6f n GLY 14 Ca -0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1u6f n GLY 14 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u6f h GLN 15 N 0.64 -0.41 -5.43 1.61 4.20 -2.05 -3.42 115.11 110.24 1u6f h GLN 15 Ca -0.07 0.03 -0.63 0.00 0.06 0.00 0.00 58.65 58.03 1u6f h GLN 15 Cb 0.15 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 27.89 1u6f h GLN 15 CO 0.01 -0.24 0.10 0.95 -0.67 0.00 0.00 178.83 178.97 1u6f s THR 16 N -3.00 4.91 -0.00 -0.54 -4.23 -1.26 -5.05 115.64 106.47 1u6f s THR 16 Ca -0.07 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1u6f s THR 16 Cb 0.01 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.75 1u6f s THR 16 CO 0.21 -0.31 0.11 0.00 -0.54 0.00 0.00 174.62 174.09 1u6f s ALA 17 N 2.65 3.68 -0.16 3.99 0.00 -1.26 -4.85 121.76 125.81 1u6f s ALA 17 Ca 0.23 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1u6f s ALA 17 Cb -0.15 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.37 1u6f s ALA 17 CO 0.15 0.71 0.22 0.94 0.00 0.00 0.00 175.76 177.78 1u6f n GLN 18 N 1.08 -4.69 0.08 0.00 7.27 -1.26 -5.05 117.38 114.81 1u6f n GLN 18 Ca -0.12 3.51 0.00 0.00 0.07 0.00 0.00 57.00 60.46 1u6f n GLN 18 Cb 0.53 -5.03 0.00 0.00 2.41 0.00 0.00 30.24 28.15 1u6f n GLN 18 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1u6f n LEU 19 N 1.72 -0.47 -4.70 1.69 0.00 -1.26 -5.09 117.00 108.89 1u6f n LEU 19 Ca -0.38 0.27 -0.42 0.00 0.00 0.00 0.00 56.01 55.48 1u6f n LEU 19 Cb 0.59 0.58 -0.03 0.00 0.00 0.00 0.00 43.42 44.56 1u6f n LEU 19 CO 0.35 -0.53 0.80 -1.10 0.00 0.00 0.00 177.39 176.92 1u6f s GLN 20 N -1.45 4.45 -0.26 1.96 -0.21 -1.26 -4.94 119.66 117.96 1u6f s GLN 20 Ca 0.00 1.51 -0.10 0.00 0.02 0.00 0.00 55.36 56.79 1u6f s GLN 20 Cb 0.00 -3.49 -0.15 0.00 1.00 0.00 0.00 33.01 30.37 1u6f s GLN 20 CO 0.00 -0.25 -0.22 1.04 -2.12 0.00 0.00 175.29 173.74 1u6f n GLN 21 N 4.53 0.61 -2.94 2.91 6.02 -1.26 -5.07 117.38 122.18 1u6f n GLN 21 Ca 0.08 0.27 -0.05 0.00 -0.01 0.00 0.00 57.00 57.29 1u6f n GLN 21 Cb 0.49 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 30.21 1u6f n GLN 21 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1u6f n LEU 22 N -3.98 -7.44 -0.00 1.08 4.32 -1.26 -5.02 117.00 104.71 1u6f n LEU 22 Ca -0.49 0.28 -0.02 0.00 -0.02 0.00 0.00 56.01 55.76 1u6f n LEU 22 Cb 0.90 -3.36 -0.01 0.00 -1.62 0.00 0.00 43.42 39.34 1u6f n LEU 22 CO 0.13 -1.83 -0.16 1.67 -1.22 0.00 0.00 177.39 175.98 1u6f n GLN 23 N -0.92 0.12 -1.64 3.23 7.27 -1.26 -5.07 117.38 119.11 1u6f n GLN 23 Ca 0.07 0.05 -0.30 0.00 0.07 0.00 0.00 57.00 56.88 1u6f n GLN 23 Cb 0.48 -0.60 0.22 0.00 2.41 0.00 0.00 30.24 32.75 1u6f n GLN 23 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1u6f s GLN 24 N -1.85 -0.19 -0.18 3.69 0.00 -1.26 -5.03 119.66 114.85 1u6f s GLN 24 Ca -0.07 -0.36 0.08 0.00 -0.00 0.00 0.00 55.36 55.01 1u6f s GLN 24 Cb 0.01 -1.74 -0.16 0.00 0.00 0.00 0.00 33.01 31.11 1u6f s GLN 24 CO 0.10 -2.98 -0.06 1.04 0.00 0.00 0.00 175.29 173.39 1u6f n GLN 25 N -4.17 0.99 -3.86 9.60 6.02 -1.26 -5.03 117.38 119.66 1u6f n GLN 25 Ca 0.15 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 1u6f n GLN 25 Cb 0.59 -1.40 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 1u6f n GLN 25 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u6f s GLN 26 N -2.39 0.56 -0.07 -1.09 2.00 -1.26 -5.05 119.66 112.36 1u6f s GLN 26 Ca -0.17 -0.48 0.11 0.00 -2.00 0.00 0.00 55.36 52.82 1u6f s GLN 26 Cb 0.06 0.23 -0.23 0.00 0.80 0.00 0.00 33.01 33.87 1u6f s GLN 26 CO 0.55 -0.14 0.57 1.04 -0.50 0.00 0.00 175.29 176.81 1u6f n GLN 27 N 1.18 0.65 -3.76 1.67 1.13 -1.26 -4.85 117.38 112.13 1u6f n GLN 27 Ca -0.21 0.27 -0.23 0.00 -1.94 0.00 0.00 57.00 54.88 1u6f n GLN 27 Cb 0.57 -1.76 -0.18 0.00 0.11 0.00 0.00 30.24 28.98 1u6f n GLN 27 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1u6f s GLN 28 N -2.58 0.55 0.21 -1.09 -1.52 -1.26 -5.04 119.66 108.93 1u6f s GLN 28 Ca -0.07 0.10 -0.22 0.00 -1.95 0.00 0.00 55.36 53.22 1u6f s GLN 28 Cb 0.08 -1.01 0.05 0.00 -0.22 0.00 0.00 33.01 31.90 1u6f s GLN 28 CO 0.82 -0.33 0.66 -1.58 -0.25 0.00 0.00 175.29 174.61 1u6f s HIS 29 N 1.99 -0.38 -0.23 0.91 2.46 -1.26 -5.09 115.29 113.69 1u6f s HIS 29 Ca 0.05 0.06 -0.11 0.00 0.47 0.00 0.00 55.06 55.52 1u6f s HIS 29 Cb -0.13 0.63 -0.17 0.00 -0.13 0.00 0.00 32.58 32.78 1u6f s HIS 29 CO -0.05 -1.02 -0.06 -0.89 -2.47 0.00 0.00 174.74 170.25 1u6f n ILE 30 N -0.42 1.57 -0.24 0.89 2.08 -1.26 -4.07 119.36 117.92 1u6f n ILE 30 Ca -0.11 -0.38 0.04 0.00 0.56 0.00 0.00 62.75 62.86 1u6f n ILE 30 Cb 0.62 -1.80 0.16 0.00 -0.75 0.00 0.00 39.64 37.88 1u6f n ILE 30 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1u6f h PRO 31 N -0.59 0.29 -0.03 0.38 0.11 -2.03 -1.10 132.00 129.03 1u6f h PRO 31 Ca -0.54 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 1u6f h PRO 31 Cb 1.67 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.70 1u6f h PRO 31 CO -0.21 0.19 -0.49 -1.35 -0.21 0.00 0.00 178.00 175.94 1u6f h PRO 32 N 0.30 0.08 -4.02 1.05 0.11 -2.01 -3.47 132.00 124.04 1u6f h PRO 32 Ca 0.39 -0.04 -0.36 0.00 0.11 0.00 0.00 66.00 66.09 1u6f h PRO 32 Cb 0.63 0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.80 1u6f h PRO 32 CO -0.46 0.55 -0.54 2.41 -0.21 0.00 0.00 178.00 179.75 1u6f n THR 33 N -3.96 -1.80 -2.96 -1.15 -1.04 -0.42 -4.94 114.28 98.01 1u6f n THR 33 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 1u6f n THR 33 Cb 0.52 -3.23 -0.05 0.00 -1.82 0.00 0.00 70.33 65.74 1u6f n THR 33 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1u6f s GLN 34 N -5.57 3.30 -0.48 -2.82 0.74 -1.26 -4.91 119.66 108.66 1u6f s GLN 34 Ca 0.27 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.35 1u6f s GLN 34 Cb -0.12 -4.02 0.20 0.00 1.10 0.00 0.00 33.01 30.16 1u6f s GLN 34 CO 0.33 -1.29 0.81 0.00 -0.55 0.00 0.00 175.29 174.59 1u6f n MET 35 N 6.88 0.46 -1.52 1.67 0.00 -1.26 -4.82 117.12 118.53 1u6f n MET 35 Ca -0.00 -1.79 -0.46 0.00 0.00 0.00 0.00 57.70 55.45 1u6f n MET 35 Cb 0.47 -1.16 -0.05 0.00 0.00 0.00 0.00 33.22 32.48 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1u6f n ASN 36 N 2.85 2.50 -2.46 3.17 4.13 -1.26 -4.83 115.26 119.34 1u6f n ASN 36 Ca 0.17 0.21 -0.23 0.00 1.68 0.00 0.00 54.58 56.41 1u6f n ASN 36 Cb 0.58 -1.40 -0.10 0.00 -1.54 0.00 0.00 39.78 37.32 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1u6f n PRO 37 N 8.52 2.59 -3.29 3.52 -0.04 -1.26 -4.84 135.00 140.21 1u6f n PRO 37 Ca 0.38 -1.81 -0.33 0.00 -0.04 0.00 0.00 63.50 61.69 1u6f n PRO 37 Cb 0.34 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1u6f n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1u6f s GLU 38 N 0.08 3.92 0.32 0.54 0.41 -1.26 -4.97 118.70 117.74 1u6f s GLU 38 Ca 0.64 0.48 0.06 0.00 -0.41 0.00 0.00 54.97 55.74 1u6f s GLU 38 Cb 0.31 -2.62 0.74 0.00 -1.78 0.00 0.00 34.13 30.77 1u6f s GLU 38 CO -0.09 0.29 1.81 -1.35 -0.49 0.00 0.00 175.26 175.43 1u6f h PRO 39 N 2.63 0.76 -0.50 0.39 0.11 -1.95 0.21 132.00 133.64 1u6f h PRO 39 Ca -0.47 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.62 1u6f h PRO 39 Cb 1.18 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1u6f h PRO 39 CO 0.67 0.50 0.33 0.22 -0.21 0.00 0.00 178.00 179.52 1u6f h ASP 40 N 0.78 0.49 -0.61 -2.05 1.82 -1.97 -1.47 116.42 113.41 1u6f h ASP 40 Ca 0.53 -0.01 -0.28 0.00 -0.39 0.00 0.00 57.03 56.88 1u6f h ASP 40 Cb 0.79 -0.12 -0.16 0.00 0.68 0.00 0.00 39.33 40.52 1u6f h ASP 40 CO -0.30 0.34 0.22 1.33 -1.61 0.00 0.00 179.24 179.22 1u6f n VAL 41 N -4.47 2.80 -0.13 2.25 0.24 -0.00 -4.51 118.33 114.51 1u6f n VAL 41 Ca 0.06 -2.22 -0.27 0.00 -2.04 0.00 0.00 64.34 59.86 1u6f n VAL 41 Cb 0.14 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 1u6f n VAL 41 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u6f n LEU 42 N -0.91 2.06 0.07 1.34 4.77 -0.55 -4.36 117.00 119.42 1u6f n LEU 42 Ca 0.42 0.30 0.21 0.00 -0.03 0.00 0.00 56.01 56.91 1u6f n LEU 42 Cb 1.28 -0.86 0.74 0.00 -2.33 0.00 0.00 43.42 42.25 1u6f n LEU 42 CO 0.36 0.57 1.19 0.08 -1.33 0.00 0.00 177.39 178.26 1u6f h ARG 43 N -0.88 0.00 -6.53 3.23 0.11 -1.75 -3.37 114.38 105.18 1u6f h ARG 43 Ca -0.63 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 58.89 1u6f h ARG 43 Cb 1.61 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.61 1u6f h ARG 43 CO -0.35 0.00 0.96 1.21 0.10 0.00 0.00 179.97 181.89 1u6f s ASN 44 N -5.31 6.43 -0.22 0.08 2.47 -1.26 -0.45 114.94 116.67 1u6f s ASN 44 Ca -0.04 0.06 -0.06 0.00 0.42 0.00 0.00 52.86 53.24 1u6f s ASN 44 Cb 0.16 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 1u6f s ASN 44 CO 0.56 -1.48 0.03 -0.76 -3.72 0.00 0.00 177.10 171.73 1u6f s LEU 45 N 4.93 3.32 -0.38 3.21 2.01 -0.84 -1.93 118.68 129.00 1u6f s LEU 45 Ca 0.42 -0.21 -0.20 0.00 0.01 0.00 0.00 54.13 54.14 1u6f s LEU 45 Cb -0.08 -1.86 0.01 0.00 0.01 0.00 0.00 46.19 44.27 1u6f s LEU 45 CO 0.25 0.02 0.63 -0.32 1.01 0.00 0.00 176.35 177.93 1u6f s MET 46 N 1.30 3.57 -0.14 1.70 -2.45 0.42 0.87 119.30 124.57 1u6f s MET 46 Ca 0.04 -0.07 -0.06 0.00 -1.25 0.00 0.00 55.69 54.35 1u6f s MET 46 Cb -0.15 -3.85 -0.04 0.00 1.25 0.00 0.00 34.83 32.05 1u6f s MET 46 CO 0.02 -0.81 0.08 0.14 1.05 0.00 0.00 175.02 175.50 1u6f s VAL 47 N 2.73 4.97 -0.11 10.11 -7.23 0.36 0.09 120.40 131.32 1u6f s VAL 47 Ca 0.24 0.02 -0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1u6f s VAL 47 Cb -0.14 -3.18 0.04 0.00 0.56 0.00 0.00 36.38 33.65 1u6f s VAL 47 CO 0.16 0.54 0.27 0.21 -0.31 0.00 0.00 175.10 175.98 1u6f s ASN 48 N -0.38 -0.30 0.29 4.85 2.47 0.26 0.13 114.94 122.26 1u6f s ASN 48 Ca 0.10 0.57 0.00 0.00 0.42 0.00 0.00 52.86 53.95 1u6f s ASN 48 Cb -0.12 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.19 1u6f s ASN 48 CO 0.02 -0.13 0.00 0.00 -3.72 0.00 0.00 177.10 173.26 1u6f n TYR 49 N 3.62 -3.61 -4.08 0.43 9.36 -1.26 -2.06 117.16 119.55 1u6f n TYR 49 Ca -0.19 0.94 -0.33 0.00 3.32 0.00 0.00 57.90 61.64 1u6f n TYR 49 Cb 0.56 2.46 -0.07 0.00 -0.63 0.00 0.00 39.34 41.66 1u6f n TYR 49 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1u6f s ILE 50 N -1.62 4.75 0.00 2.97 1.09 -1.26 -5.02 121.20 122.11 1u6f s ILE 50 Ca 0.00 -0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 1u6f s ILE 50 Cb 0.00 -3.19 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 1u6f s ILE 50 CO 0.00 0.33 0.02 -0.81 -0.10 0.00 0.00 174.94 174.37 1u6f n PRO 51 N 1.09 0.00 0.00 2.79 -0.04 -1.26 -3.62 135.00 133.96 1u6f n PRO 51 Ca -0.12 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1u6f n PRO 51 Cb 0.53 -0.43 0.71 0.00 -0.04 0.00 0.00 33.50 34.27 1u6f n PRO 51 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1u6f n THR 52 N -0.02 0.07 0.02 0.52 -1.04 -1.26 -3.12 114.28 109.44 1u6f n THR 52 Ca 0.00 0.02 0.07 0.00 -2.04 0.00 0.00 64.05 62.10 1u6f n THR 52 Cb 0.00 -0.55 0.26 0.00 -1.82 0.00 0.00 70.33 68.22 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1u6f n THR 53 N -1.29 1.26 -2.07 12.58 -1.04 -1.26 -4.60 114.28 117.86 1u6f n THR 53 Ca 0.13 -0.84 -0.42 0.00 -2.04 0.00 0.00 64.05 60.88 1u6f n THR 53 Cb 0.23 0.06 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 1u6f n THR 53 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1u6f s VAL 54 N -1.70 3.52 -0.20 12.58 -7.23 -1.22 -4.82 120.40 121.32 1u6f s VAL 54 Ca 0.37 0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 61.01 1u6f s VAL 54 Cb 0.23 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1u6f s VAL 54 CO 0.19 -0.60 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.46 1u6f s ASP 55 N 6.21 3.86 0.61 4.85 1.01 -1.26 -4.81 116.67 127.15 1u6f s ASP 55 Ca 0.73 -0.48 0.31 0.00 0.71 0.00 0.00 52.55 53.82 1u6f s ASP 55 Cb -0.18 -1.64 1.70 0.00 1.01 0.00 0.00 42.92 43.81 1u6f s ASP 55 CO 0.30 -0.00 2.06 1.05 0.21 0.00 0.00 175.17 178.79 1u6f h GLU 56 N 7.96 0.00 0.28 8.23 4.11 -1.93 -2.15 114.58 131.09 1u6f h GLU 56 Ca -0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.00 1u6f h GLU 56 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1u6f h GLU 56 CO 0.61 0.00 -0.13 0.28 0.07 0.00 0.00 179.01 179.84 1u6f h VAL 57 N 0.00 0.53 -0.75 -1.06 2.07 -1.96 0.76 116.25 115.84 1u6f h VAL 57 Ca 0.08 -0.85 0.17 0.00 0.82 0.00 0.00 66.70 66.92 1u6f h VAL 57 Cb 0.59 0.86 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 1u6f h VAL 57 CO -0.00 0.13 0.18 1.56 0.02 0.00 0.00 177.57 179.46 1u6f h GLN 58 N -0.94 0.26 0.00 1.57 4.20 -1.81 0.44 115.11 118.82 1u6f h GLN 58 Ca -0.04 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1u6f h GLN 58 Cb 0.50 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1u6f h GLN 58 CO 0.06 0.17 -0.63 -0.07 -0.67 0.00 0.00 178.83 177.69 1u6f h LEU 59 N 0.27 0.00 0.21 1.46 3.38 -1.55 -2.27 115.31 116.80 1u6f h LEU 59 Ca 0.43 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.41 1u6f h LEU 59 Cb 0.74 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1u6f h LEU 59 CO -0.52 0.63 -0.29 -0.09 0.09 0.00 0.00 178.44 178.26 1u6f h ARG 60 N 0.00 -0.54 0.02 1.13 1.12 0.51 1.28 114.38 117.91 1u6f h ARG 60 Ca -0.01 0.04 -0.21 0.00 -1.11 0.00 0.00 59.98 58.69 1u6f h ARG 60 Cb 1.41 0.12 0.02 0.00 -0.01 0.00 0.00 29.97 31.51 1u6f h ARG 60 CO 0.08 -0.36 -0.82 1.96 -3.11 0.00 0.00 179.97 177.72 1u6f h GLN 61 N -0.56 0.52 -0.46 0.20 4.20 -1.34 0.43 115.11 118.10 1u6f h GLN 61 Ca 0.01 -0.59 -0.03 0.00 0.06 0.00 0.00 58.65 58.10 1u6f h GLN 61 Cb 0.54 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1u6f h GLN 61 CO -0.11 1.21 0.17 1.25 -0.67 0.00 0.00 178.83 180.69 1u6f h LEU 62 N 0.08 0.65 0.00 1.46 5.85 -1.32 -1.96 115.31 120.08 1u6f h LEU 62 Ca -0.11 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 1u6f h LEU 62 Cb 1.52 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1u6f h LEU 62 CO 0.16 0.66 -0.54 -0.26 -0.34 0.00 0.00 178.44 178.11 1u6f h PHE 63 N 0.61 0.00 -0.31 1.25 -1.00 0.16 -3.32 116.94 114.33 1u6f h PHE 63 Ca 0.15 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.02 1u6f h PHE 63 Cb 0.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1u6f h PHE 63 CO 0.01 1.20 0.37 1.05 -1.61 0.00 0.00 178.31 179.33 1u6f h GLU 64 N -1.00 0.00 0.06 1.51 4.11 -0.90 -0.86 114.58 117.49 1u6f h GLU 64 Ca -0.15 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.29 1u6f h GLU 64 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1u6f h GLU 64 CO -0.09 0.00 -0.14 -0.09 0.07 0.00 0.00 179.01 178.76 1u6f h ARG 65 N 0.00 -0.25 -0.00 1.06 2.43 -1.44 -0.53 114.38 115.65 1u6f h ARG 65 Ca 0.15 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1u6f h ARG 65 Cb 0.88 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1u6f h ARG 65 CO -0.00 -0.17 -0.03 0.66 -1.51 0.00 0.00 179.97 178.92 1u6f n TYR 66 N -5.26 0.00 -3.09 2.20 4.02 -0.42 -4.69 117.16 109.92 1u6f n TYR 66 Ca -0.06 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1u6f n TYR 66 Cb 0.18 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1u6f s GLY 67 N -2.95 -0.99 -0.19 2.72 0.00 -0.66 -4.56 107.32 100.68 1u6f s GLY 67 Ca 0.16 2.09 -0.41 0.00 0.00 0.00 0.00 44.72 46.56 1u6f s GLY 67 CO 0.53 4.18 1.47 -1.05 0.00 0.00 0.00 173.10 178.23 1u6f n PRO 68 N 4.87 0.60 -2.82 2.90 -0.02 -0.29 -3.91 135.00 136.33 1u6f n PRO 68 Ca 0.09 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1u6f n PRO 68 Cb 0.59 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 1u6f n PRO 68 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u6f s ILE 69 N 1.94 4.27 -0.27 4.25 -4.36 -1.26 -2.21 121.20 123.56 1u6f s ILE 69 Ca 0.95 1.73 -0.10 0.00 -0.26 0.00 0.00 60.65 62.97 1u6f s ILE 69 Cb -1.20 -3.94 -0.14 0.00 1.25 0.00 0.00 42.46 38.44 1u6f s ILE 69 CO 0.64 0.08 -0.29 1.21 0.24 0.00 0.00 174.94 176.81 1u6f n GLU 70 N 0.39 0.61 -3.57 0.37 2.13 0.15 -4.75 120.64 115.97 1u6f n GLU 70 Ca 0.02 0.24 -0.27 0.00 0.66 0.00 0.00 57.16 57.82 1u6f n GLU 70 Cb 0.51 -1.51 -0.16 0.00 0.27 0.00 0.00 31.44 30.55 1u6f n GLU 70 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1u6f s SER 71 N -7.21 2.77 -0.01 4.31 0.15 -1.03 -5.04 113.70 107.63 1u6f s SER 71 Ca -0.37 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 55.42 1u6f s SER 71 Cb 0.13 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1u6f s SER 71 CO 0.53 -0.39 -0.00 0.54 1.20 0.00 0.00 173.24 175.12 1u6f s VAL 72 N 2.14 4.14 0.08 4.45 0.11 -1.26 -1.41 120.40 128.64 1u6f s VAL 72 Ca 0.05 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.42 1u6f s VAL 72 Cb -0.16 -2.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.88 1u6f s VAL 72 CO -0.21 0.41 0.27 -0.75 -3.33 0.00 0.00 175.10 171.49 1u6f s LYS 73 N -1.45 0.87 -0.12 1.54 2.20 0.26 -4.97 119.74 118.07 1u6f s LYS 73 Ca 0.18 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1u6f s LYS 73 Cb -0.11 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1u6f s LYS 73 CO 0.09 -0.29 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.08 1u6f s ILE 74 N -3.39 1.92 -0.79 5.43 1.10 -1.26 0.20 121.20 124.41 1u6f s ILE 74 Ca 0.01 -0.91 -0.26 0.00 -0.51 0.00 0.00 60.65 58.98 1u6f s ILE 74 Cb 0.02 -1.70 0.03 0.00 0.15 0.00 0.00 42.46 40.97 1u6f s ILE 74 CO -0.09 0.53 1.32 -0.69 -2.11 0.00 0.00 174.94 173.90 1u6f s VAL 75 N 0.73 3.76 0.61 4.00 1.01 0.40 -4.91 120.40 125.99 1u6f s VAL 75 Ca -0.10 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1u6f s VAL 75 Cb -0.16 -4.94 0.02 0.00 0.00 0.00 0.00 36.38 31.30 1u6f s VAL 75 CO 0.01 -1.87 0.92 0.00 0.00 0.00 0.00 175.10 174.17 1u6f s ASP 77 N -4.34 6.71 0.27 0.00 -1.08 0.21 -4.77 116.67 113.67 1u6f s ASP 77 Ca 0.55 2.17 0.25 0.00 -0.52 0.00 0.00 52.55 55.01 1u6f s ASP 77 Cb -0.11 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.71 1u6f s ASP 77 CO 0.45 -0.89 1.75 0.03 0.52 0.00 0.00 175.17 177.03 1u6f h ARG 78 N 9.23 0.00 0.05 4.34 2.47 -1.95 0.76 114.38 129.28 1u6f h ARG 78 Ca -0.38 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1u6f h ARG 78 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u6f h ARG 78 CO 0.95 0.00 -0.02 0.93 0.56 0.00 0.00 179.97 182.39 1u6f h GLU 79 N 0.00 -0.06 -0.09 0.04 5.08 -1.96 -3.35 114.58 114.24 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u6f h GLU 79 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1u6f h GLU 79 CO 0.00 0.43 0.00 -2.37 -1.00 0.00 0.00 179.01 176.07 1u6f n THR 80 N -4.88 0.74 -2.65 1.13 5.66 -1.23 -4.98 114.28 108.07 1u6f n THR 80 Ca -0.09 -0.87 -0.20 0.00 -3.05 0.00 0.00 64.05 59.85 1u6f n THR 80 Cb 0.26 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1u6f n ARG 81 N -0.06 -2.77 -3.96 1.09 5.12 0.26 -4.97 116.66 111.38 1u6f n ARG 81 Ca 0.03 0.85 -0.33 0.00 -1.93 0.00 0.00 57.85 56.47 1u6f n ARG 81 Cb 0.25 -5.56 -0.05 0.00 -1.16 0.00 0.00 32.46 25.94 1u6f n ARG 81 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u6f s GLN 82 N -5.29 3.32 -0.71 5.56 -1.52 -1.05 -4.83 119.66 115.14 1u6f s GLN 82 Ca 0.11 -0.38 -0.26 0.00 -1.95 0.00 0.00 55.36 52.89 1u6f s GLN 82 Cb -0.05 -3.02 -0.07 0.00 -0.22 0.00 0.00 33.01 29.64 1u6f s GLN 82 CO 0.14 0.66 2.18 0.45 -0.25 0.00 0.00 175.29 178.47 1u6f s SER 83 N -1.89 4.61 0.00 5.90 0.15 -1.26 0.66 113.70 121.87 1u6f s SER 83 Ca 0.26 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1u6f s SER 83 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1u6f s SER 83 CO 0.17 -3.05 0.00 0.54 1.20 0.00 0.00 173.24 172.11 1u6f n ARG 84 N 8.95 0.00 0.00 5.44 1.74 -1.26 -4.13 116.66 127.40 1u6f n ARG 84 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1u6f n ARG 84 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u6f n GLY 85 N 0.00 0.56 3.83 -0.13 0.00 -1.18 -3.95 105.19 104.31 1u6f n GLY 85 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 1u6f n GLY 85 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u6f s TYR 86 N 0.00 0.00 0.52 1.61 -0.85 -1.07 -4.66 117.35 112.90 1u6f s TYR 86 Ca 0.00 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 1u6f s TYR 86 Cb 0.00 0.63 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1u6f s TYR 86 CO 0.00 -0.62 0.14 0.20 -1.52 0.00 0.00 175.55 173.75 1u6f s GLY 87 N -3.33 2.81 -0.09 5.49 0.00 0.36 0.15 107.32 112.71 1u6f s GLY 87 Ca 0.20 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1u6f s GLY 87 CO 0.01 -2.11 0.19 -1.36 0.00 0.00 0.00 173.10 169.84 1u6f s PHE 88 N -2.84 -0.25 -0.24 1.90 0.40 0.54 0.13 117.98 117.62 1u6f s PHE 88 Ca 0.15 0.64 0.01 0.00 -0.60 0.00 0.00 56.93 57.13 1u6f s PHE 88 Cb 0.00 -0.04 0.06 0.00 0.51 0.00 0.00 43.02 43.56 1u6f s PHE 88 CO 0.09 -0.21 -0.06 0.14 0.70 0.00 0.00 175.22 175.88 1u6f s VAL 89 N 1.34 1.65 -0.32 -0.44 -7.23 0.25 0.90 120.40 116.55 1u6f s VAL 89 Ca -0.08 -1.31 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 1u6f s VAL 89 Cb -0.11 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1u6f s VAL 89 CO -0.07 -0.10 0.75 -0.75 -0.31 0.00 0.00 175.10 174.62 1u6f s LYS 90 N 1.33 3.89 0.62 4.82 2.20 -0.50 -1.98 119.74 130.13 1u6f s LYS 90 Ca -0.06 0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 55.87 1u6f s LYS 90 Cb -0.19 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1u6f s LYS 90 CO -0.06 -0.70 1.03 -0.06 -0.36 0.00 0.00 175.35 175.20 1u6f s PHE 91 N 2.91 3.53 0.13 4.03 0.40 0.40 0.34 117.98 129.72 1u6f s PHE 91 Ca 0.30 1.33 -0.26 0.00 -0.60 0.00 0.00 56.93 57.70 1u6f s PHE 91 Cb -0.14 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 1u6f s PHE 91 CO 0.13 -0.75 1.61 1.96 0.70 0.00 0.00 175.22 178.87 1u6f h GLN 92 N -0.27 -0.39 -6.18 0.44 4.20 -1.74 -3.41 115.11 107.76 1u6f h GLN 92 Ca -0.44 0.03 -0.56 0.00 0.06 0.00 0.00 58.65 57.73 1u6f h GLN 92 Cb 1.19 0.09 -0.22 0.00 0.30 0.00 0.00 27.48 28.85 1u6f h GLN 92 CO 0.61 -0.26 -0.83 -1.12 -0.67 0.00 0.00 178.83 176.56 1u6f s SER 93 N -4.91 2.56 0.53 1.46 0.01 -1.26 -4.97 113.70 107.12 1u6f s SER 93 Ca -0.15 -0.69 0.25 0.00 1.31 0.00 0.00 55.95 56.67 1u6f s SER 93 Cb 0.10 -0.14 1.39 0.00 0.21 0.00 0.00 66.02 67.58 1u6f s SER 93 CO 0.66 0.06 1.99 1.23 0.41 0.00 0.00 173.24 177.59 1u6f h GLY 94 N 4.07 0.01 2.00 3.44 0.00 -1.84 0.29 103.07 111.04 1u6f h GLY 94 Ca -0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1u6f h GLY 94 CO 0.40 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.68 1u6f h SER 95 N 0.01 0.00 0.76 0.19 0.02 -1.95 -0.47 113.55 112.11 1u6f h SER 95 Ca 0.25 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.03 1u6f h SER 95 Cb 1.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1u6f h SER 95 CO -0.00 0.02 -0.82 -1.28 -1.14 0.00 0.00 176.83 173.60 1u6f h SER 96 N 0.00 0.06 -0.90 3.07 0.87 -0.82 -3.20 113.55 112.62 1u6f h SER 96 Ca -0.00 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1u6f h SER 96 Cb 0.06 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1u6f h SER 96 CO 0.00 0.85 0.59 0.00 -0.53 0.00 0.00 176.83 177.74 1u6f h ALA 97 N 1.15 1.48 -0.93 6.23 0.00 -1.11 0.07 119.26 126.15 1u6f h ALA 97 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1u6f h ALA 97 Cb 1.44 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1u6f h ALA 97 CO 0.11 0.40 0.61 1.96 0.00 0.00 0.00 179.25 182.33 1u6f h GLN 98 N 1.07 1.14 -0.04 0.00 1.08 -1.58 0.63 115.11 117.41 1u6f h GLN 98 Ca 0.38 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.34 1u6f h GLN 98 Cb 0.13 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1u6f h GLN 98 CO -0.13 0.75 -0.74 1.96 -0.95 0.00 0.00 178.83 179.72 1u6f h GLN 99 N 1.17 0.23 0.30 1.46 1.08 -1.38 -1.57 115.11 116.41 1u6f h GLN 99 Ca 0.38 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1u6f h GLN 99 Cb 0.02 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1u6f h GLN 99 CO -0.13 0.87 -0.14 0.00 -0.95 0.00 0.00 178.83 178.48 1u6f h ALA 100 N 1.07 -0.40 -0.03 3.87 0.00 -0.01 -1.92 119.26 121.85 1u6f h ALA 100 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u6f h ALA 100 Cb 1.31 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1u6f h ALA 100 CO 0.11 -0.46 0.03 0.82 0.00 0.00 0.00 179.25 179.75 1u6f h ILE 101 N -0.92 0.62 -0.05 0.00 2.04 0.14 1.02 117.51 120.37 1u6f h ILE 101 Ca -0.04 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 1u6f h ILE 101 Cb 0.51 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1u6f h ILE 101 CO 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.79 1u6f h ALA 102 N 1.97 0.11 -0.20 1.87 0.00 -1.22 -2.97 119.26 118.83 1u6f h ALA 102 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u6f h ALA 102 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u6f h ALA 102 CO -0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1u6f n GLY 103 N 0.85 3.92 0.00 0.00 0.00 -0.73 -4.70 105.19 104.54 1u6f n GLY 103 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1u6f n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6f n LEU 104 N -0.54 0.60 -4.67 0.99 4.77 0.35 -4.82 117.00 113.69 1u6f n LEU 104 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1u6f n LEU 104 Cb 0.70 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 1u6f n LEU 104 CO 0.10 0.10 1.57 0.21 -1.33 0.00 0.00 177.39 178.03 1u6f s ASN 105 N -3.06 6.45 -1.88 -1.43 3.84 -1.12 -0.62 114.94 117.12 1u6f s ASN 105 Ca 0.00 2.68 0.00 0.00 0.21 0.00 0.00 52.86 55.75 1u6f s ASN 105 Cb 0.00 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1u6f s ASN 105 CO 0.00 -1.04 0.00 0.61 -2.79 0.00 0.00 177.10 173.88 1u6f n GLY 106 N 4.46 1.39 3.46 1.21 0.00 0.34 -4.80 105.19 111.25 1u6f n GLY 106 Ca 0.19 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1u6f n GLY 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u6f n PHE 107 N -2.75 0.21 -1.94 1.61 7.35 0.21 -4.59 117.46 117.55 1u6f n PHE 107 Ca -0.19 -0.36 -0.24 0.00 -0.76 0.00 0.00 57.45 55.89 1u6f n PHE 107 Cb 0.62 -1.14 -0.07 0.00 0.35 0.00 0.00 39.48 39.23 1u6f n PHE 107 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u6f s ASN 108 N 6.80 4.69 0.68 -2.13 2.47 -1.26 -1.65 114.94 124.54 1u6f s ASN 108 Ca 0.64 -1.17 -0.11 0.00 0.42 0.00 0.00 52.86 52.64 1u6f s ASN 108 Cb 0.09 -2.58 -0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1u6f s ASN 108 CO 0.27 -3.36 1.06 -0.51 -3.72 0.00 0.00 177.10 170.85 1u6f s ILE 109 N 12.14 4.03 0.66 -5.21 2.07 0.42 -4.90 121.20 130.41 1u6f s ILE 109 Ca 0.73 0.66 0.23 0.00 -1.41 0.00 0.00 60.65 60.86 1u6f s ILE 109 Cb -0.04 -3.57 0.25 0.00 0.13 0.00 0.00 42.46 39.23 1u6f s ILE 109 CO 0.10 -0.86 1.71 0.25 -1.91 0.00 0.00 174.94 174.23 1u6f h LEU 110 N -0.59 0.00 0.00 8.50 6.46 -2.04 -2.53 115.31 125.11 1u6f h LEU 110 Ca -0.45 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.00 1u6f h LEU 110 Cb 1.22 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.10 1u6f h LEU 110 CO 0.61 0.00 -2.13 0.59 -0.62 0.00 0.00 178.44 176.89 1u6f n ASN 111 N -2.90 2.12 -2.12 1.25 3.02 -1.26 -5.09 115.26 110.28 1u6f n ASN 111 Ca 0.00 0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.48 1u6f n ASN 111 Cb 0.57 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1u6f n ASN 111 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1u6f n LYS 112 N -3.38 0.26 -3.95 3.52 0.00 -0.95 -5.15 118.16 108.52 1u6f n LYS 112 Ca -0.37 -1.64 -0.29 0.00 -0.00 0.00 0.00 58.31 56.01 1u6f n LYS 112 Cb 0.84 1.41 -0.16 0.00 -0.00 0.00 0.00 35.03 37.12 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1u6f s ARG 113 N -2.61 1.75 -0.70 -1.58 3.52 -1.26 0.16 118.95 118.24 1u6f s ARG 113 Ca 0.19 -0.70 -0.27 0.00 -0.13 0.00 0.00 55.73 54.81 1u6f s ARG 113 Cb 0.00 -2.25 0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1u6f s ARG 113 CO 0.13 -0.44 1.28 -0.51 -0.81 0.00 0.00 175.30 174.95 1u6f s LEU 114 N 1.50 3.23 -0.26 -0.88 1.43 -0.66 -4.70 118.68 118.35 1u6f s LEU 114 Ca -0.01 -0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 1u6f s LEU 114 Cb -0.16 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1u6f s LEU 114 CO -0.08 -1.77 0.68 -0.75 0.23 0.00 0.00 176.35 174.66 1u6f s LYS 115 N 5.58 4.11 -0.10 1.70 2.20 -0.88 0.13 119.74 132.49 1u6f s LYS 115 Ca 0.38 0.62 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 1u6f s LYS 115 Cb -0.08 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u6f s LYS 115 CO 0.18 -0.45 -0.10 0.08 -0.36 0.00 0.00 175.35 174.70 1u6f s VAL 116 N 2.60 1.08 -0.03 4.02 1.01 -1.25 -0.58 120.40 127.25 1u6f s VAL 116 Ca 0.28 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1u6f s VAL 116 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1u6f s VAL 116 CO 0.09 0.37 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 1u6f s ALA 117 N 1.30 0.82 0.06 5.51 0.00 0.11 -4.65 121.76 124.92 1u6f s ALA 117 Ca -0.03 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 1u6f s ALA 117 Cb -0.14 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 1u6f s ALA 117 CO -0.04 0.11 1.73 -0.51 0.00 0.00 0.00 175.76 177.05 1u6f s LEU 118 N 0.35 4.38 0.00 0.00 2.01 -1.26 0.16 118.68 124.31 1u6f s LEU 118 Ca -0.05 2.54 0.00 0.00 0.01 0.00 0.00 54.13 56.62 1u6f s LEU 118 Cb -0.10 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.55 1u6f s LEU 118 CO 0.01 -0.94 0.00 0.00 1.01 0.00 0.00 176.35 176.43 1u6f n ALA 119 N 6.02 0.00 0.00 4.21 0.00 -0.82 -4.85 120.51 125.08 1u6f n ALA 119 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1u6f n ALA 119 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1u6f n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6f n ALA 120 N -1.43 0.00 -2.32 0.00 0.00 -1.26 -5.00 120.51 110.50 1u6f n ALA 120 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1u6f n ALA 120 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1u6f n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u6f s SER 121 N -4.00 1.25 -0.03 0.00 1.04 -1.26 -4.59 113.70 106.11 1u6f s SER 121 Ca 0.00 -1.46 -0.00 0.00 0.48 0.00 0.00 55.95 54.97 1u6f s SER 121 Cb 0.00 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 1u6f s SER 121 CO 0.00 -0.80 0.03 0.61 0.98 0.00 0.00 173.24 174.05 1u6f n GLY 122 N -0.50 -0.21 2.95 7.32 0.00 -1.26 -5.05 105.19 108.43 1u6f n GLY 122 Ca 0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1u6f n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6f s HIS 123 N -3.00 2.38 1.08 1.61 4.02 -1.26 -5.12 115.29 114.99 1u6f s HIS 123 Ca 0.00 -1.71 -0.12 0.00 1.02 0.00 0.00 55.06 54.25 1u6f s HIS 123 Cb -0.00 -1.58 0.22 0.00 -1.02 0.00 0.00 32.58 30.20 1u6f s HIS 123 CO 0.03 -0.76 0.98 1.04 1.02 0.00 0.00 174.74 177.04 1u6f n GLN 124 N 4.68 -1.67 0.02 1.40 6.02 -1.26 -4.90 117.38 121.67 1u6f n GLN 124 Ca -0.12 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 1u6f n GLN 124 Cb 0.44 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.51 1u6f n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1u6f n ARG 125 N -4.43 0.00 0.24 -1.09 3.00 -1.26 -4.96 116.66 108.16 1u6f n ARG 125 Ca 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.00 1u6f n ARG 125 Cb 0.54 0.00 0.60 0.00 0.00 0.00 0.00 32.46 33.59 1u6f n ARG 125 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1u6f h PRO 126 N 0.00 0.00 -2.83 -0.14 0.13 -2.08 -3.48 132.00 123.60 1u6f h PRO 126 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u6f h PRO 126 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u6f h PRO 126 CO 0.00 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.36 1u6f n GLY 127 N -0.68 -2.00 3.72 1.56 0.00 -1.26 -5.01 105.19 101.52 1u6f n GLY 127 Ca -0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1u6f n GLY 127 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u6f s ILE 128 N -0.31 4.52 0.56 -0.61 2.07 -1.26 -5.05 121.20 121.13 1u6f s ILE 128 Ca 0.00 1.93 -0.08 0.00 -1.41 0.00 0.00 60.65 61.09 1u6f s ILE 128 Cb 0.00 -4.24 0.13 0.00 0.13 0.00 0.00 42.46 38.48 1u6f s ILE 128 CO 0.00 0.22 0.76 0.00 -1.91 0.00 0.00 174.94 174.01 1u6f n ALA 129 N 3.37 -0.72 0.00 1.50 0.00 -1.26 -5.05 120.51 118.35 1u6f n ALA 129 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1u6f n ALA 129 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1u6f n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6f n GLY 130 N -0.10 1.54 0.62 0.00 0.00 -1.26 -5.17 105.19 100.82 1u6f n GLY 130 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f n ALA 131 N 0.00 0.02 -2.32 4.61 0.00 -1.26 -5.10 120.51 116.46 1u6f n ALA 131 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 1u6f n ALA 131 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 1u6f n ALA 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1u6f s VAL 132 N -0.34 4.90 0.03 0.00 -7.23 -1.26 -5.11 120.40 111.39 1u6f s VAL 132 Ca 0.11 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.31 1u6f s VAL 132 Cb -0.01 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.08 1u6f s VAL 132 CO 0.07 -0.80 0.13 -0.83 -0.31 0.00 0.00 175.10 173.37 1u6f s GLY 133 N -4.10 0.10 -1.47 2.32 0.00 -1.26 -4.88 107.32 98.03 1u6f s GLY 133 Ca 0.47 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 1u6f s GLY 133 CO 0.44 -0.49 0.78 1.22 0.00 0.00 0.00 173.10 175.04 1u6f n ASP 134 N 0.97 -6.14 0.00 1.64 8.00 -1.26 -4.78 116.55 114.98 1u6f n ASP 134 Ca -0.20 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1u6f n ASP 134 Cb 0.58 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u6f n GLY 135 N -1.66 3.08 3.69 0.44 0.00 -1.26 -5.02 105.19 104.45 1u6f n GLY 135 Ca -0.07 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1u6f n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u6f s ASN 136 N 0.00 6.93 0.27 1.61 3.84 -1.26 -4.60 114.94 121.73 1u6f s ASN 136 Ca 0.00 2.01 0.00 0.00 0.21 0.00 0.00 52.86 55.08 1u6f s ASN 136 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1u6f s ASN 136 CO 0.00 -0.66 0.00 0.61 -2.79 0.00 0.00 177.10 174.26 1u6f n GLY 137 N 3.52 1.19 2.04 1.21 0.00 -1.26 -4.76 105.19 107.14 1u6f n GLY 137 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1u6f n GLY 137 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u6f n TYR 138 N 1.62 -2.04 -0.51 1.61 9.36 -1.26 -4.95 117.16 120.99 1u6f n TYR 138 Ca 0.00 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.58 1u6f n TYR 138 Cb 0.00 1.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.83 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36