#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 4.61 -0.25 7.83 0.01 -1.26 -4.84 113.70 119.80 1u6f s SER 2 Ca 0.00 -0.18 -0.06 0.00 1.31 0.00 0.00 55.95 57.01 1u6f s SER 2 Cb 0.00 -1.75 0.02 0.00 0.21 0.00 0.00 66.02 64.51 1u6f s SER 2 CO 0.00 0.16 0.13 0.00 0.41 0.00 0.00 173.24 173.93 1u6f n GLN 3 N 3.62 -4.07 -4.34 12.44 1.13 -1.26 -5.01 117.38 119.88 1u6f n GLN 3 Ca -0.18 3.14 -0.34 0.00 -1.94 0.00 0.00 57.00 57.69 1u6f n GLN 3 Cb 0.52 -5.24 -0.14 0.00 0.11 0.00 0.00 30.24 25.49 1u6f n GLN 3 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1u6f s ILE 4 N -1.16 3.18 0.61 5.09 2.07 -1.26 -4.99 121.20 124.73 1u6f s ILE 4 Ca -0.14 -0.59 0.28 0.00 -1.41 0.00 0.00 60.65 58.79 1u6f s ILE 4 Cb 0.01 -2.39 0.36 0.00 0.13 0.00 0.00 42.46 40.57 1u6f s ILE 4 CO 0.79 0.48 1.86 -0.65 -1.91 0.00 0.00 174.94 175.52 1u6f h PRO 5 N 7.36 0.00 -4.39 3.50 0.11 -2.01 -3.47 132.00 133.11 1u6f h PRO 5 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1u6f h PRO 5 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u6f h PRO 5 CO 0.59 0.00 -0.92 1.28 -0.21 0.00 0.00 178.00 178.74 1u6f n LEU 6 N -3.52 -6.16 -3.08 2.35 4.32 -1.26 -4.68 117.00 104.97 1u6f n LEU 6 Ca 0.07 2.91 -0.15 0.00 -0.02 0.00 0.00 56.01 58.82 1u6f n LEU 6 Cb 0.65 -3.10 0.08 0.00 -1.62 0.00 0.00 43.42 39.43 1u6f n LEU 6 CO 0.24 -2.25 0.10 0.52 -1.22 0.00 0.00 177.39 174.78 1u6f n VAL 7 N 1.77 -5.05 0.00 4.08 0.31 -1.26 -4.94 118.33 113.24 1u6f n VAL 7 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1u6f n VAL 7 Cb 0.00 -4.61 0.00 0.00 -0.91 0.00 0.00 33.84 28.32 1u6f n VAL 7 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u6f n SER 8 N -2.81 2.55 -3.56 4.52 3.41 -1.26 -5.12 113.62 111.35 1u6f n SER 8 Ca -0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.27 1u6f n SER 8 Cb 0.64 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1u6f n SER 8 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1u6f s GLN 9 N -1.96 1.33 0.71 4.33 -0.21 -1.26 -5.15 119.66 117.45 1u6f s GLN 9 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.80 1u6f s GLN 9 Cb 0.00 0.55 0.00 0.00 1.00 0.00 0.00 33.01 34.56 1u6f s GLN 9 CO 0.00 -0.59 0.00 0.98 -2.12 0.00 0.00 175.29 173.56 1u6f n TYR 10 N -0.39 -3.29 -3.63 0.91 9.36 -1.26 -4.80 117.16 114.06 1u6f n TYR 10 Ca -0.12 1.41 -0.36 0.00 3.32 0.00 0.00 57.90 62.15 1u6f n TYR 10 Cb 0.63 -2.54 -0.06 0.00 -0.63 0.00 0.00 39.34 36.74 1u6f n TYR 10 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1u6f s ASP 11 N -6.48 6.62 0.12 2.98 2.15 -1.26 -4.99 116.67 115.81 1u6f s ASP 11 Ca 0.00 0.75 -0.30 0.00 0.43 0.00 0.00 52.55 53.42 1u6f s ASP 11 Cb 0.00 -2.16 -0.07 0.00 -0.30 0.00 0.00 42.92 40.39 1u6f s ASP 11 CO 0.00 0.25 1.24 -2.16 -0.17 0.00 0.00 175.17 174.33 1u6f s PRO 12 N -1.59 4.43 0.47 4.34 0.04 -1.26 -5.03 135.00 136.39 1u6f s PRO 12 Ca 0.28 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 1u6f s PRO 12 Cb -0.14 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1u6f s PRO 12 CO 0.15 -0.24 0.76 0.71 0.04 0.00 0.00 177.00 178.42 1u6f s TYR 13 N 0.65 3.49 -1.22 0.56 2.02 -1.26 -4.21 117.35 117.38 1u6f s TYR 13 Ca 0.58 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 1u6f s TYR 13 Cb -0.32 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 1u6f s TYR 13 CO 0.32 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 1u6f n GLY 14 N -2.23 0.07 2.78 0.71 0.00 -1.26 -5.00 105.19 100.26 1u6f n GLY 14 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1u6f n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u6f s GLN 15 N -4.43 0.01 0.25 1.61 0.74 -1.26 -5.15 119.66 111.41 1u6f s GLN 15 Ca 0.00 0.16 -0.03 0.00 0.05 0.00 0.00 55.36 55.55 1u6f s GLN 15 Cb 0.00 -0.27 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 1u6f s GLN 15 CO 0.00 -0.15 0.27 0.99 -0.55 0.00 0.00 175.29 175.84 1u6f s THR 16 N 1.00 0.00 1.11 -0.34 2.01 -1.26 -5.03 115.64 113.14 1u6f s THR 16 Ca -0.09 -1.83 -0.15 0.00 0.31 0.00 0.00 61.69 59.94 1u6f s THR 16 Cb -0.12 -2.45 0.25 0.00 0.01 0.00 0.00 72.50 70.18 1u6f s THR 16 CO -0.03 0.00 1.08 0.00 -0.69 0.00 0.00 174.62 174.99 1u6f s ALA 17 N -3.90 0.57 -0.06 7.40 0.00 -1.26 -4.95 121.76 119.56 1u6f s ALA 17 Ca 0.35 -0.59 0.19 0.00 0.00 0.00 0.00 51.96 51.90 1u6f s ALA 17 Cb 0.04 -3.03 0.40 0.00 0.00 0.00 0.00 23.12 20.52 1u6f s ALA 17 CO 0.15 -3.32 1.60 1.96 0.00 0.00 0.00 175.76 176.15 1u6f h GLN 18 N -2.31 0.00 -6.46 0.00 4.20 -2.08 -3.45 115.11 105.02 1u6f h GLN 18 Ca -0.52 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.60 1u6f h GLN 18 Cb 1.32 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.15 1u6f h GLN 18 CO 0.47 0.37 0.83 1.28 -0.67 0.00 0.00 178.83 181.11 1u6f n LEU 19 N -3.29 3.08 -4.32 1.46 4.32 -1.26 -4.98 117.00 111.99 1u6f n LEU 19 Ca 0.01 1.07 -0.17 0.00 -0.02 0.00 0.00 56.01 56.90 1u6f n LEU 19 Cb 0.61 -1.41 -0.10 0.00 -1.62 0.00 0.00 43.42 40.90 1u6f n LEU 19 CO 0.38 -0.29 -0.35 -1.10 -1.22 0.00 0.00 177.39 174.81 1u6f s GLN 20 N 1.37 1.31 -0.45 3.23 -0.21 -1.26 -4.96 119.66 118.69 1u6f s GLN 20 Ca 0.81 -1.64 -0.15 0.00 0.02 0.00 0.00 55.36 54.40 1u6f s GLN 20 Cb -0.70 -0.67 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1u6f s GLN 20 CO 0.40 -0.05 0.60 1.04 -2.12 0.00 0.00 175.29 175.17 1u6f n GLN 21 N -0.39 -2.31 -5.05 2.91 6.02 -1.26 -5.03 117.38 112.26 1u6f n GLN 21 Ca -0.06 2.08 -0.30 0.00 -0.01 0.00 0.00 57.00 58.71 1u6f n GLN 21 Cb 0.63 -5.67 -0.17 0.00 1.02 0.00 0.00 30.24 26.05 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u6f s LEU 22 N -2.69 1.97 0.61 1.08 1.43 -1.26 -5.12 118.68 114.70 1u6f s LEU 22 Ca 0.23 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 1u6f s LEU 22 Cb -0.07 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1u6f s LEU 22 CO 0.76 0.14 1.16 -1.10 0.23 0.00 0.00 176.35 177.55 1u6f s GLN 23 N 0.32 2.97 -0.04 1.70 -0.21 -1.26 -4.99 119.66 118.15 1u6f s GLN 23 Ca -0.15 1.65 -0.04 0.00 0.02 0.00 0.00 55.36 56.85 1u6f s GLN 23 Cb -0.16 -1.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 1u6f s GLN 23 CO 0.07 -1.17 -0.08 0.94 -2.12 0.00 0.00 175.29 172.92 1u6f n GLN 24 N -1.80 0.14 -0.06 2.91 7.27 -1.26 -4.88 117.38 119.70 1u6f n GLN 24 Ca 0.12 0.06 -0.06 0.00 0.07 0.00 0.00 57.00 57.19 1u6f n GLN 24 Cb 0.51 -0.73 -0.08 0.00 2.41 0.00 0.00 30.24 32.34 1u6f n GLN 24 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1u6f n GLN 25 N -3.39 1.87 -2.58 3.69 7.27 -1.26 -5.00 117.38 117.98 1u6f n GLN 25 Ca -0.11 0.01 -0.37 0.00 0.07 0.00 0.00 57.00 56.60 1u6f n GLN 25 Cb 0.49 -1.29 -0.05 0.00 2.41 0.00 0.00 30.24 31.80 1u6f n GLN 25 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1u6f s GLN 26 N -2.27 4.36 -0.23 3.69 2.00 -1.26 -4.96 119.66 120.98 1u6f s GLN 26 Ca -0.08 1.54 0.14 0.00 -2.00 0.00 0.00 55.36 54.96 1u6f s GLN 26 Cb 0.04 -2.74 0.36 0.00 0.80 0.00 0.00 33.01 31.46 1u6f s GLN 26 CO 0.44 0.03 1.31 0.94 -0.50 0.00 0.00 175.29 177.51 1u6f n GLN 27 N 0.35 1.08 -2.31 1.67 -0.06 -1.26 -4.80 117.38 112.05 1u6f n GLN 27 Ca 0.03 -1.76 -0.26 0.00 -2.00 0.00 0.00 57.00 53.01 1u6f n GLN 27 Cb 0.49 -0.06 0.13 0.00 -4.06 0.00 0.00 30.24 26.74 1u6f n GLN 27 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1u6f s GLN 28 N -0.80 1.33 -0.17 3.69 -1.52 -1.26 -5.12 119.66 115.82 1u6f s GLN 28 Ca 0.14 -0.78 -0.35 0.00 -1.95 0.00 0.00 55.36 52.42 1u6f s GLN 28 Cb 0.33 -2.14 0.14 0.00 -0.22 0.00 0.00 33.01 31.12 1u6f s GLN 28 CO -0.09 -1.79 1.25 -3.38 -0.25 0.00 0.00 175.29 171.03 1u6f s HIS 29 N -3.43 -0.10 -0.41 0.91 -3.43 -1.26 -5.10 115.29 102.48 1u6f s HIS 29 Ca 0.69 0.04 0.06 0.00 -0.80 0.00 0.00 55.06 55.05 1u6f s HIS 29 Cb -0.05 0.52 0.32 0.00 -1.43 0.00 0.00 32.58 31.93 1u6f s HIS 29 CO 0.48 -0.19 1.23 1.51 -2.00 0.00 0.00 174.74 175.77 1u6f n ILE 30 N -0.16 0.00 -1.38 -5.38 3.06 -1.26 -5.16 119.36 109.08 1u6f n ILE 30 Ca -0.01 -1.29 -0.31 0.00 -2.50 0.00 0.00 62.75 58.65 1u6f n ILE 30 Cb 0.59 1.18 0.08 0.00 0.54 0.00 0.00 39.64 42.02 1u6f n ILE 30 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1u6f s PRO 31 N 0.19 2.46 -1.14 9.51 0.04 -1.26 -4.90 135.00 139.90 1u6f s PRO 31 Ca 0.20 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 1u6f s PRO 31 Cb 0.30 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.83 1u6f s PRO 31 CO -0.08 -1.48 1.94 -1.25 0.04 0.00 0.00 177.00 176.17 1u6f s PRO 32 N -4.85 2.47 0.37 0.56 0.04 -1.26 -4.94 135.00 127.39 1u6f s PRO 32 Ca 0.61 -1.01 -0.10 0.00 0.04 0.00 0.00 61.00 60.53 1u6f s PRO 32 Cb -0.17 -5.21 -0.07 0.00 0.04 0.00 0.00 34.50 29.10 1u6f s PRO 32 CO 0.54 -3.94 0.73 -0.08 0.04 0.00 0.00 177.00 174.30 1u6f s THR 33 N 11.06 4.80 0.00 1.26 -1.32 -1.26 -4.63 115.64 125.55 1u6f s THR 33 Ca 0.69 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.77 1u6f s THR 33 Cb -0.02 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 1u6f s THR 33 CO 0.11 -0.43 0.00 0.00 -2.21 0.00 0.00 174.62 172.09 1u6f n GLN 34 N -1.08 0.00 0.00 7.08 6.02 -1.26 -4.81 117.38 123.33 1u6f n GLN 34 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1u6f n GLN 34 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 1u6f n GLN 34 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1u6f n MET 35 N 0.00 0.00 -3.49 -1.09 0.00 -1.26 -4.71 117.12 106.57 1u6f n MET 35 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.70 57.46 1u6f n MET 35 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.28 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 1.56 -5.91 -1.76 6.12 5.03 -1.26 -4.87 115.26 114.16 1u6f n ASN 36 Ca 0.00 -0.88 -0.12 0.00 0.87 0.00 0.00 54.58 54.46 1u6f n ASN 36 Cb 0.00 -4.22 0.03 0.00 -1.02 0.00 0.00 39.78 34.57 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1u6f n PRO 37 N -3.76 1.56 -2.71 3.52 -0.04 -1.26 -4.92 135.00 127.40 1u6f n PRO 37 Ca -0.08 -1.10 -0.43 0.00 -0.04 0.00 0.00 63.50 61.85 1u6f n PRO 37 Cb 0.60 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.28 4.07 0.00 0.54 2.02 -1.26 -4.96 118.70 117.83 1u6f s GLU 38 Ca 0.22 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.21 1u6f s GLU 38 Cb 0.17 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.68 1u6f s GLU 38 CO -0.00 -0.81 0.00 -0.35 0.02 0.00 0.00 175.26 174.12 1u6f n PRO 39 N 6.63 0.00 0.22 0.39 -0.04 -1.26 -4.48 135.00 136.46 1u6f n PRO 39 Ca 0.10 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1u6f n PRO 39 Cb 0.47 -0.58 0.45 0.00 -0.04 0.00 0.00 33.50 33.80 1u6f n PRO 39 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1u6f h ASP 40 N 0.00 0.00 -2.94 3.54 1.82 -2.04 -3.34 116.42 113.45 1u6f h ASP 40 Ca 0.00 0.00 -0.74 0.00 -0.39 0.00 0.00 57.03 55.90 1u6f h ASP 40 Cb 0.00 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 39.68 1u6f h ASP 40 CO 0.00 0.26 0.22 0.55 -1.61 0.00 0.00 179.24 178.66 1u6f n VAL 41 N -3.47 4.01 -0.06 2.25 3.14 -1.26 -4.69 118.33 118.25 1u6f n VAL 41 Ca -0.00 -5.51 -0.09 0.00 -2.96 0.00 0.00 64.34 55.78 1u6f n VAL 41 Cb 0.43 -2.22 -0.05 0.00 -1.06 0.00 0.00 33.84 30.93 1u6f n VAL 41 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1u6f n LEU 42 N 1.63 2.61 0.00 6.55 4.77 -1.26 -4.56 117.00 126.75 1u6f n LEU 42 Ca 0.26 -0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 1u6f n LEU 42 Cb 0.37 -0.39 0.35 0.00 -2.33 0.00 0.00 43.42 41.42 1u6f n LEU 42 CO 0.53 0.61 0.64 -2.11 -1.33 0.00 0.00 177.39 175.74 1u6f n ARG 43 N -2.96 0.27 -2.54 3.23 0.00 -1.26 -4.61 116.66 108.79 1u6f n ARG 43 Ca -0.21 0.10 -0.42 0.00 -0.00 0.00 0.00 57.85 57.33 1u6f n ARG 43 Cb 0.71 -1.50 -0.02 0.00 -0.00 0.00 0.00 32.46 31.64 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u6f s ASN 44 N -2.36 6.39 -0.23 2.89 3.04 -1.26 -0.07 114.94 123.34 1u6f s ASN 44 Ca 0.15 0.15 -0.05 0.00 0.04 0.00 0.00 52.86 53.15 1u6f s ASN 44 Cb 0.09 -2.55 -0.01 0.00 -1.54 0.00 0.00 41.25 37.23 1u6f s ASN 44 CO 0.18 -1.53 -0.02 -0.76 -3.04 0.00 0.00 177.10 171.93 1u6f s LEU 45 N 5.17 3.03 -0.35 3.21 2.01 -0.60 -2.78 118.68 128.37 1u6f s LEU 45 Ca 0.45 -0.38 -0.20 0.00 0.01 0.00 0.00 54.13 54.01 1u6f s LEU 45 Cb -0.08 -1.78 0.00 0.00 0.01 0.00 0.00 46.19 44.34 1u6f s LEU 45 CO 0.25 -0.03 0.61 -0.32 1.01 0.00 0.00 176.35 177.87 1u6f s MET 46 N 1.50 3.67 -0.16 1.70 1.75 0.31 0.81 119.30 128.88 1u6f s MET 46 Ca 0.06 0.01 -0.07 0.00 -1.25 0.00 0.00 55.69 54.43 1u6f s MET 46 Cb -0.15 -3.81 -0.04 0.00 2.84 0.00 0.00 34.83 33.68 1u6f s MET 46 CO -0.02 -0.71 0.09 0.14 -0.65 0.00 0.00 175.02 173.87 1u6f s VAL 47 N 2.63 5.08 -0.07 10.11 -7.23 0.43 -0.04 120.40 131.31 1u6f s VAL 47 Ca 0.23 0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 1u6f s VAL 47 Cb -0.15 -3.25 0.03 0.00 0.56 0.00 0.00 36.38 33.57 1u6f s VAL 47 CO 0.14 0.52 0.17 0.21 -0.31 0.00 0.00 175.10 175.84 1u6f s ASN 48 N -0.21 -0.17 0.14 4.85 3.84 0.35 0.10 114.94 123.84 1u6f s ASN 48 Ca 0.09 0.36 0.00 0.00 0.21 0.00 0.00 52.86 53.52 1u6f s ASN 48 Cb -0.12 0.30 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 1u6f s ASN 48 CO 0.01 -0.11 0.00 0.00 -2.79 0.00 0.00 177.10 174.21 1u6f n TYR 49 N 3.62 -3.05 -4.06 0.43 9.36 -1.26 -2.05 117.16 120.15 1u6f n TYR 49 Ca -0.19 0.47 -0.32 0.00 3.32 0.00 0.00 57.90 61.18 1u6f n TYR 49 Cb 0.55 1.50 -0.06 0.00 -0.63 0.00 0.00 39.34 40.70 1u6f n TYR 49 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1u6f s ILE 50 N -1.29 4.70 0.00 2.97 -4.36 -1.26 -5.05 121.20 116.92 1u6f s ILE 50 Ca 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 1u6f s ILE 50 Cb 0.00 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 40.49 1u6f s ILE 50 CO 0.00 0.22 0.00 -0.81 0.24 0.00 0.00 174.94 174.59 1u6f n PRO 51 N 0.74 0.00 0.05 0.37 -0.04 -1.26 -3.71 135.00 131.15 1u6f n PRO 51 Ca -0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 1u6f n PRO 51 Cb 0.52 -0.17 0.50 0.00 -0.04 0.00 0.00 33.50 34.31 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 0.00 0.39 0.66 0.52 -1.04 -1.26 -3.05 114.28 110.50 1u6f n THR 52 Ca 0.00 -0.07 0.08 0.00 -2.04 0.00 0.00 64.05 62.02 1u6f n THR 52 Cb 0.00 -0.63 0.22 0.00 -1.82 0.00 0.00 70.33 68.09 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 -1.86 0.54 -2.11 12.58 -1.04 -1.26 -4.80 114.28 116.32 1u6f n THR 53 Ca 0.06 -0.57 -0.43 0.00 -2.04 0.00 0.00 64.05 61.07 1u6f n THR 53 Cb 0.35 0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 69.16 1u6f n THR 53 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1u6f s VAL 54 N -1.46 3.71 -0.21 12.58 0.11 -1.17 -4.88 120.40 129.08 1u6f s VAL 54 Ca 0.30 0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 60.15 1u6f s VAL 54 Cb 0.16 -3.68 0.01 0.00 -1.53 0.00 0.00 36.38 31.34 1u6f s VAL 54 CO 0.21 -0.24 -0.10 -1.81 -3.33 0.00 0.00 175.10 169.84 1u6f s ASP 55 N 3.93 3.92 0.61 3.54 1.01 -1.26 -4.91 116.67 123.51 1u6f s ASP 55 Ca 0.71 -0.53 0.32 0.00 0.71 0.00 0.00 52.55 53.75 1u6f s ASP 55 Cb -0.26 -1.65 1.79 0.00 1.01 0.00 0.00 42.92 43.81 1u6f s ASP 55 CO 0.28 -0.03 2.12 1.05 0.21 0.00 0.00 175.17 178.81 1u6f h GLU 56 N 8.05 0.00 0.33 8.23 4.11 -1.97 -2.07 114.58 131.25 1u6f h GLU 56 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1u6f h GLU 56 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1u6f h GLU 56 CO 0.61 0.00 -0.16 0.28 0.07 0.00 0.00 179.01 179.82 1u6f h VAL 57 N 0.00 0.53 -0.77 -1.06 2.07 -1.97 0.53 116.25 115.58 1u6f h VAL 57 Ca 0.06 -0.73 0.17 0.00 0.82 0.00 0.00 66.70 67.02 1u6f h VAL 57 Cb 0.43 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 1u6f h VAL 57 CO -0.00 0.11 0.21 -0.61 0.02 0.00 0.00 177.57 177.30 1u6f h GLN 58 N -0.92 0.27 0.00 1.57 5.75 -1.80 0.50 115.11 120.47 1u6f h GLN 58 Ca -0.04 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 1u6f h GLN 58 Cb 0.52 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1u6f h GLN 58 CO 0.07 0.18 -0.45 -0.07 -2.65 0.00 0.00 178.83 175.91 1u6f h LEU 59 N 0.28 0.00 0.39 -2.39 3.38 -1.52 -1.08 115.31 114.37 1u6f h LEU 59 Ca 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 1u6f h LEU 59 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1u6f h LEU 59 CO -0.53 0.45 -0.26 -0.09 0.09 0.00 0.00 178.44 178.10 1u6f h ARG 60 N 0.00 -0.61 0.15 1.13 1.12 0.50 1.41 114.38 118.08 1u6f h ARG 60 Ca -0.00 0.04 -0.29 0.00 -1.11 0.00 0.00 59.98 58.62 1u6f h ARG 60 Cb 1.27 0.14 0.02 0.00 -0.01 0.00 0.00 29.97 31.38 1u6f h ARG 60 CO 0.06 -0.41 -1.28 1.96 -3.11 0.00 0.00 179.97 177.19 1u6f h GLN 61 N -0.63 0.42 -0.32 0.20 4.20 -1.28 -1.60 115.11 116.11 1u6f h GLN 61 Ca -0.04 -0.65 -0.18 0.00 0.06 0.00 0.00 58.65 57.84 1u6f h GLN 61 Cb 0.53 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1u6f h GLN 61 CO 0.02 1.30 -0.50 1.25 -0.67 0.00 0.00 178.83 180.23 1u6f h LEU 62 N 0.14 0.98 0.05 1.46 5.85 -1.13 -2.48 115.31 120.18 1u6f h LEU 62 Ca -0.17 -0.50 -0.20 0.00 0.84 0.00 0.00 57.88 57.84 1u6f h LEU 62 Cb 1.98 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1u6f h LEU 62 CO 0.23 1.30 -1.08 -0.26 -0.34 0.00 0.00 178.44 178.29 1u6f h PHE 63 N 0.69 0.19 0.00 1.25 -1.00 0.18 -3.35 116.94 114.90 1u6f h PHE 63 Ca 0.03 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 1u6f h PHE 63 Cb 1.11 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.66 1u6f h PHE 63 CO 0.07 1.42 -0.05 1.05 -1.61 0.00 0.00 178.31 179.19 1u6f h GLU 64 N -0.70 0.00 -0.98 1.51 9.09 -1.26 -2.17 114.58 120.07 1u6f h GLU 64 Ca -0.26 0.00 0.22 0.00 0.05 0.00 0.00 59.36 59.37 1u6f h GLU 64 Cb 1.44 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.46 1u6f h GLU 64 CO -0.05 0.05 0.63 0.07 0.05 0.00 0.00 179.01 179.76 1u6f h ARG 65 N 0.00 0.46 0.00 1.06 0.11 -1.57 0.25 114.38 114.69 1u6f h ARG 65 Ca -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1u6f h ARG 65 Cb 0.13 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1u6f h ARG 65 CO 0.01 0.30 -1.17 0.66 0.10 0.00 0.00 179.97 179.87 1u6f n TYR 66 N -4.60 0.53 -3.10 4.08 4.01 -0.84 -4.83 117.16 112.42 1u6f n TYR 66 Ca 0.22 0.15 0.04 0.00 -0.16 0.00 0.00 57.90 58.15 1u6f n TYR 66 Cb 0.74 -0.68 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6f s GLY 67 N -4.11 -1.17 0.04 2.72 0.00 0.80 -4.71 107.32 100.89 1u6f s GLY 67 Ca -0.00 1.43 -0.38 0.00 0.00 0.00 0.00 44.72 45.76 1u6f s GLY 67 CO 0.81 3.96 1.18 -1.05 0.00 0.00 0.00 173.10 178.00 1u6f n PRO 68 N 4.88 0.48 -2.82 2.90 -0.02 -0.65 -4.11 135.00 135.64 1u6f n PRO 68 Ca 0.08 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 1u6f n PRO 68 Cb 0.57 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.18 4.30 -0.21 4.25 -4.36 -1.26 -1.46 121.20 122.64 1u6f s ILE 69 Ca 0.88 1.66 0.06 0.00 -0.26 0.00 0.00 60.65 62.99 1u6f s ILE 69 Cb -1.13 -3.86 -0.17 0.00 1.25 0.00 0.00 42.46 38.54 1u6f s ILE 69 CO 0.53 -0.01 -0.12 1.21 0.24 0.00 0.00 174.94 176.79 1u6f n GLU 70 N 0.16 0.73 -3.30 0.37 0.00 0.16 -4.70 120.64 114.06 1u6f n GLU 70 Ca 0.03 0.09 -0.07 0.00 0.00 0.00 0.00 57.16 57.21 1u6f n GLU 70 Cb 0.51 -1.46 -0.06 0.00 0.00 0.00 0.00 31.44 30.43 1u6f n GLU 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1u6f s SER 71 N -5.91 -0.02 -0.03 4.31 0.15 -1.07 -5.04 113.70 106.09 1u6f s SER 71 Ca -0.24 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1u6f s SER 71 Cb 0.07 1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 1u6f s SER 71 CO 0.60 -0.31 0.04 0.68 1.20 0.00 0.00 173.24 175.45 1u6f s VAL 72 N 2.60 4.51 -0.09 4.45 -7.23 -1.26 -1.67 120.40 121.71 1u6f s VAL 72 Ca 0.13 -0.39 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 1u6f s VAL 72 Cb -0.14 -3.00 0.05 0.00 0.56 0.00 0.00 36.38 33.85 1u6f s VAL 72 CO -0.20 0.44 0.56 -0.75 -0.31 0.00 0.00 175.10 174.84 1u6f s LYS 73 N -1.44 0.86 -0.07 4.82 2.20 0.15 -4.99 119.74 121.28 1u6f s LYS 73 Ca 0.19 0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 56.05 1u6f s LYS 73 Cb -0.12 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 1u6f s LYS 73 CO 0.09 -0.22 0.17 0.42 -0.36 0.00 0.00 175.35 175.45 1u6f s ILE 74 N -0.80 5.46 -0.70 5.43 1.01 -1.26 0.26 121.20 130.59 1u6f s ILE 74 Ca -0.09 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 1u6f s ILE 74 Cb -0.02 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 39.06 1u6f s ILE 74 CO 0.06 0.49 0.99 -0.69 0.00 0.00 0.00 174.94 175.79 1u6f s VAL 75 N -1.16 4.40 0.87 2.92 1.01 0.51 -4.83 120.40 124.13 1u6f s VAL 75 Ca 0.21 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1u6f s VAL 75 Cb -0.12 -4.70 0.12 0.00 0.00 0.00 0.00 36.38 31.68 1u6f s VAL 75 CO 0.11 -1.46 1.19 0.00 0.00 0.00 0.00 175.10 174.94 1u6f s ASP 77 N -4.49 6.79 0.00 0.00 1.01 -0.55 -4.84 116.67 114.60 1u6f s ASP 77 Ca 0.65 0.97 0.17 0.00 0.71 0.00 0.00 52.55 55.05 1u6f s ASP 77 Cb -0.11 -2.39 0.74 0.00 1.01 0.00 0.00 42.92 42.17 1u6f s ASP 77 CO 0.51 -0.35 1.55 -2.11 0.21 0.00 0.00 175.17 174.98 1u6f n ARG 78 N 5.24 0.02 -0.00 8.23 0.00 -1.26 0.82 116.66 129.70 1u6f n ARG 78 Ca 0.01 0.20 -0.13 0.00 -0.00 0.00 0.00 57.85 57.94 1u6f n ARG 78 Cb 0.49 -1.50 -0.10 0.00 -0.00 0.00 0.00 32.46 31.35 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1u6f h GLU 79 N 0.00 -0.06 -0.06 2.89 5.08 -1.96 -3.36 114.58 117.11 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 0.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1u6f h GLU 79 CO 0.00 0.50 0.00 -2.37 -1.00 0.00 0.00 179.01 176.14 1u6f n THR 80 N -4.84 0.46 -3.30 1.13 5.66 -1.20 -4.99 114.28 107.21 1u6f n THR 80 Ca -0.09 -0.73 -0.24 0.00 -3.05 0.00 0.00 64.05 59.95 1u6f n THR 80 Cb 0.29 0.81 0.02 0.00 -1.55 0.00 0.00 70.33 69.90 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 0.04 -4.39 -4.19 1.09 5.12 0.24 -4.97 116.66 109.61 1u6f n ARG 81 Ca 0.03 0.67 -0.27 0.00 -1.93 0.00 0.00 57.85 56.35 1u6f n ARG 81 Cb 0.19 -5.47 -0.08 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 -5.97 2.42 -0.21 5.56 -0.21 -1.17 -4.88 119.66 115.20 1u6f s GLN 82 Ca 0.40 -1.06 -0.29 0.00 0.02 0.00 0.00 55.36 54.43 1u6f s GLN 82 Cb -0.20 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 1u6f s GLN 82 CO 0.49 0.47 1.91 0.45 -2.12 0.00 0.00 175.29 176.49 1u6f s SER 83 N -2.81 5.97 0.00 5.90 0.15 -1.26 -1.48 113.70 120.17 1u6f s SER 83 Ca 0.27 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.71 1u6f s SER 83 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1u6f s SER 83 CO 0.18 -1.57 0.00 -1.14 1.20 0.00 0.00 173.24 171.91 1u6f n ARG 84 N 8.19 0.00 0.00 5.44 0.63 -1.26 -4.42 116.66 125.24 1u6f n ARG 84 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1u6f n ARG 84 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6f n GLY 85 N 0.00 0.95 3.82 5.14 0.00 -1.22 -3.96 105.19 109.92 1u6f n GLY 85 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 0.44 1.61 -0.85 -1.09 -4.58 117.35 112.88 1u6f s TYR 86 Ca 0.00 -0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1u6f s TYR 86 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.99 1u6f s TYR 86 CO 0.00 -0.61 0.20 0.41 -1.52 0.00 0.00 175.55 174.03 1u6f n GLY 87 N -0.66 3.16 3.15 5.49 0.00 0.29 0.19 105.19 116.81 1u6f n GLY 87 Ca -0.03 -2.30 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 1u6f n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u6f s PHE 88 N -2.35 -0.27 -0.19 1.61 2.19 0.71 -0.43 117.98 119.26 1u6f s PHE 88 Ca 0.15 0.65 -0.04 0.00 0.33 0.00 0.00 56.93 58.02 1u6f s PHE 88 Cb -0.01 0.09 0.08 0.00 -1.31 0.00 0.00 43.02 41.87 1u6f s PHE 88 CO 0.10 -0.16 0.15 0.14 1.83 0.00 0.00 175.22 177.28 1u6f s VAL 89 N 0.01 -0.20 -0.30 3.12 -7.23 0.24 0.35 120.40 116.39 1u6f s VAL 89 Ca -0.01 -0.14 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 1u6f s VAL 89 Cb -0.02 -0.63 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 1u6f s VAL 89 CO 0.01 -0.25 0.65 -0.75 -0.31 0.00 0.00 175.10 174.45 1u6f s LYS 90 N 2.23 3.94 0.63 4.82 2.20 -0.67 -1.56 119.74 131.33 1u6f s LYS 90 Ca 0.04 0.37 -0.12 0.00 -0.36 0.00 0.00 55.97 55.91 1u6f s LYS 90 Cb -0.16 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.42 1u6f s LYS 90 CO -0.11 -0.56 1.04 -0.06 -0.36 0.00 0.00 175.35 175.30 1u6f s PHE 91 N 2.63 3.39 0.13 4.03 0.40 0.91 0.36 117.98 129.82 1u6f s PHE 91 Ca 0.26 1.37 -0.26 0.00 -0.60 0.00 0.00 56.93 57.70 1u6f s PHE 91 Cb -0.15 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 1u6f s PHE 91 CO 0.11 -0.86 1.61 1.96 0.70 0.00 0.00 175.22 178.75 1u6f h GLN 92 N -0.22 -0.41 -6.09 0.44 4.20 -1.53 -3.40 115.11 108.09 1u6f h GLN 92 Ca -0.45 0.03 -0.55 0.00 0.06 0.00 0.00 58.65 57.75 1u6f h GLN 92 Cb 1.20 0.09 -0.21 0.00 0.30 0.00 0.00 27.48 28.86 1u6f h GLN 92 CO 0.60 -0.27 -0.82 -1.12 -0.67 0.00 0.00 178.83 176.55 1u6f s SER 93 N -4.90 2.53 0.54 1.46 0.01 -1.26 -4.96 113.70 107.12 1u6f s SER 93 Ca -0.15 -0.72 0.25 0.00 1.31 0.00 0.00 55.95 56.64 1u6f s SER 93 Cb 0.10 -0.14 1.41 0.00 0.21 0.00 0.00 66.02 67.60 1u6f s SER 93 CO 0.66 0.04 2.02 1.23 0.41 0.00 0.00 173.24 177.59 1u6f h GLY 94 N 3.94 0.00 2.00 3.44 0.00 -1.90 0.18 103.07 110.73 1u6f h GLY 94 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1u6f h GLY 94 CO 0.42 0.00 -0.02 0.23 0.00 0.00 0.00 176.54 177.16 1u6f h SER 95 N 0.00 0.00 1.05 0.19 0.87 -1.95 -0.57 113.55 113.13 1u6f h SER 95 Ca 0.20 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.58 1u6f h SER 95 Cb 0.83 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1u6f h SER 95 CO -0.00 0.02 -0.86 0.28 -0.53 0.00 0.00 176.83 175.74 1u6f h SER 96 N 0.00 0.00 -0.34 6.23 0.02 -1.02 -3.30 113.55 115.14 1u6f h SER 96 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1u6f h SER 96 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1u6f h SER 96 CO 0.00 0.86 0.16 0.00 -1.14 0.00 0.00 176.83 176.71 1u6f h ALA 97 N 1.14 0.43 -0.75 3.77 0.00 -1.12 0.25 119.26 122.98 1u6f h ALA 97 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1u6f h ALA 97 Cb 1.61 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1u6f h ALA 97 CO 0.11 -0.00 0.34 1.96 0.00 0.00 0.00 179.25 181.66 1u6f h GLN 98 N 0.40 0.52 0.00 0.00 1.08 -1.61 0.55 115.11 116.05 1u6f h GLN 98 Ca 0.11 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 1u6f h GLN 98 Cb 0.13 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1u6f h GLN 98 CO -0.01 0.34 -0.61 1.96 -0.95 0.00 0.00 178.83 179.56 1u6f h GLN 99 N 0.54 0.00 0.29 1.46 4.20 -1.60 -1.81 115.11 118.19 1u6f h GLN 99 Ca 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 1u6f h GLN 99 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1u6f h GLN 99 CO -0.34 0.61 -0.14 0.00 -0.67 0.00 0.00 178.83 178.29 1u6f h ALA 100 N 1.39 -0.39 0.00 3.87 0.00 0.13 -1.97 119.26 122.29 1u6f h ALA 100 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u6f h ALA 100 Cb 1.17 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1u6f h ALA 100 CO 0.08 -0.45 -0.06 0.82 0.00 0.00 0.00 179.25 179.63 1u6f h ILE 101 N -0.92 0.69 -0.08 0.00 2.04 -0.10 0.96 117.51 120.11 1u6f h ILE 101 Ca -0.04 -0.26 -0.22 0.00 1.00 0.00 0.00 64.86 65.34 1u6f h ILE 101 Cb 0.51 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1u6f h ILE 101 CO 0.07 0.06 -0.85 0.00 0.00 0.00 0.00 178.15 177.43 1u6f h ALA 102 N 1.94 0.36 -0.17 1.87 0.00 -1.29 -2.47 119.26 119.48 1u6f h ALA 102 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1u6f h ALA 102 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u6f h ALA 102 CO 0.01 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1u6f n GLY 103 N 0.78 3.43 0.00 0.00 0.00 -0.75 -4.72 105.19 103.94 1u6f n GLY 103 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.30 0.61 -4.68 0.99 4.77 0.33 -4.83 117.00 113.89 1u6f n LEU 104 Ca 0.11 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.62 1u6f n LEU 104 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1u6f n LEU 104 CO 0.06 0.10 1.49 -3.20 -1.33 0.00 0.00 177.39 174.51 1u6f n ASN 105 N -1.54 3.60 -0.96 -1.43 5.15 -0.93 -0.06 115.26 119.09 1u6f n ASN 105 Ca 0.00 0.97 -0.13 0.00 -0.60 0.00 0.00 54.58 54.82 1u6f n ASN 105 Cb 0.14 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 37.92 1u6f n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u6f n GLY 106 N 4.36 1.24 3.49 8.20 0.00 0.19 -4.81 105.19 117.85 1u6f n GLY 106 Ca 0.21 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.34 0.67 -2.33 1.61 7.35 0.91 -4.52 117.46 118.81 1u6f n PHE 107 Ca -0.13 -0.03 -0.35 0.00 -0.76 0.00 0.00 57.45 56.18 1u6f n PHE 107 Cb 0.56 -1.79 -0.04 0.00 0.35 0.00 0.00 39.48 38.56 1u6f n PHE 107 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1u6f s ASN 108 N 6.30 5.93 0.68 -2.13 4.22 -1.26 -0.45 114.94 128.24 1u6f s ASN 108 Ca 0.95 -1.48 -0.11 0.00 -2.14 0.00 0.00 52.86 50.08 1u6f s ASN 108 Cb -0.33 -2.57 -0.00 0.00 1.28 0.00 0.00 41.25 39.63 1u6f s ASN 108 CO 0.24 -2.07 1.06 -0.51 -2.04 0.00 0.00 177.10 173.79 1u6f s ILE 109 N 7.33 4.02 0.65 0.54 2.07 0.40 -4.90 121.20 131.31 1u6f s ILE 109 Ca 0.58 0.65 0.23 0.00 -1.41 0.00 0.00 60.65 60.71 1u6f s ILE 109 Cb -0.01 -3.56 0.25 0.00 0.13 0.00 0.00 42.46 39.26 1u6f s ILE 109 CO 0.00 -0.86 1.70 0.25 -1.91 0.00 0.00 174.94 174.13 1u6f h LEU 110 N -0.59 0.00 0.00 8.50 6.46 -2.04 -2.64 115.31 125.00 1u6f h LEU 110 Ca -0.45 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.06 1u6f h LEU 110 Cb 1.22 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 1u6f h LEU 110 CO 0.61 0.00 -1.94 0.59 -0.62 0.00 0.00 178.44 177.08 1u6f n ASN 111 N -2.92 2.39 -1.76 1.25 4.13 -1.26 -5.10 115.26 111.98 1u6f n ASN 111 Ca 0.01 -0.02 -0.06 0.00 1.68 0.00 0.00 54.58 56.18 1u6f n ASN 111 Cb 0.59 -0.32 -0.02 0.00 -1.54 0.00 0.00 39.78 38.49 1u6f n ASN 111 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1u6f n LYS 112 N -3.16 0.18 -3.94 3.52 0.00 -0.99 -5.15 118.16 108.61 1u6f n LYS 112 Ca -0.30 -1.12 -0.30 0.00 -0.00 0.00 0.00 58.31 56.60 1u6f n LYS 112 Cb 0.79 0.97 -0.16 0.00 -0.00 0.00 0.00 35.03 36.63 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 -2.41 1.74 -0.66 -1.58 3.52 -1.26 0.15 118.95 118.45 1u6f s ARG 113 Ca 0.13 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.74 1u6f s ARG 113 Cb 0.00 -2.26 0.03 0.00 -1.56 0.00 0.00 34.95 31.16 1u6f s ARG 113 CO 0.09 -0.45 1.29 -0.51 -0.81 0.00 0.00 175.30 174.91 1u6f s LEU 114 N 1.50 3.29 -0.25 -0.88 1.43 0.41 -4.72 118.68 119.45 1u6f s LEU 114 Ca -0.01 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1u6f s LEU 114 Cb -0.16 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1u6f s LEU 114 CO -0.08 -1.73 0.70 -0.75 0.23 0.00 0.00 176.35 174.72 1u6f s LYS 115 N 5.50 4.13 -0.11 1.70 2.20 -0.87 0.52 119.74 132.81 1u6f s LYS 115 Ca 0.41 0.67 0.01 0.00 -0.36 0.00 0.00 55.97 56.70 1u6f s LYS 115 Cb -0.08 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u6f s LYS 115 CO 0.20 -0.46 -0.12 0.08 -0.36 0.00 0.00 175.35 174.69 1u6f s VAL 116 N 2.63 1.32 -0.02 4.02 1.01 -1.25 -0.50 120.40 127.61 1u6f s VAL 116 Ca 0.29 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1u6f s VAL 116 Cb -0.15 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1u6f s VAL 116 CO 0.08 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.53 1u6f s ALA 117 N 1.22 0.61 0.39 5.51 0.00 0.95 -4.63 121.76 125.81 1u6f s ALA 117 Ca -0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 1u6f s ALA 117 Cb -0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 1u6f s ALA 117 CO -0.04 0.08 1.35 -0.51 0.00 0.00 0.00 175.76 176.64 1u6f s LEU 118 N 0.26 4.27 0.57 0.00 2.01 -1.26 0.12 118.68 124.65 1u6f s LEU 118 Ca -0.03 2.76 0.27 0.00 0.01 0.00 0.00 54.13 57.15 1u6f s LEU 118 Cb -0.07 -3.81 1.52 0.00 0.01 0.00 0.00 46.19 43.84 1u6f s LEU 118 CO -0.00 -0.82 2.02 0.00 1.01 0.00 0.00 176.35 178.56 1u6f h ALA 119 N 2.85 2.10 -2.36 4.21 0.00 -1.84 -3.45 119.26 120.76 1u6f h ALA 119 Ca -0.50 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 54.65 1u6f h ALA 119 Cb 1.24 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1u6f h ALA 119 CO 0.63 -0.49 -0.69 0.00 0.00 0.00 0.00 179.25 178.70 1u6f n ALA 120 N -2.43 -2.62 -3.40 0.00 0.00 -1.26 -4.69 120.51 106.10 1u6f n ALA 120 Ca 0.05 0.53 -0.44 0.00 0.00 0.00 0.00 53.44 53.58 1u6f n ALA 120 Cb 0.48 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 -6.50 6.19 -0.30 0.00 1.04 -1.26 -5.00 113.70 107.88 1u6f s SER 121 Ca 0.00 -2.21 -0.02 0.00 0.48 0.00 0.00 55.95 54.20 1u6f s SER 121 Cb 0.00 -2.14 0.10 0.00 0.10 0.00 0.00 66.02 64.08 1u6f s SER 121 CO 0.00 -0.69 0.11 -0.83 0.98 0.00 0.00 173.24 172.82 1u6f s GLY 122 N 2.68 0.78 0.14 7.32 0.00 -1.26 -4.95 107.32 112.02 1u6f s GLY 122 Ca 0.10 -1.37 -0.18 0.00 0.00 0.00 0.00 44.72 43.27 1u6f s GLY 122 CO -0.02 1.84 1.79 0.45 0.00 0.00 0.00 173.10 177.16 1u6f h HIS 123 N 8.25 0.34 0.00 1.90 3.86 -2.01 -3.45 115.15 124.05 1u6f h HIS 123 Ca -0.17 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1u6f h HIS 123 Cb 1.01 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1u6f h HIS 123 CO 0.32 0.21 0.00 0.94 0.86 0.00 0.00 177.93 180.26 1u6f n GLN 124 N -4.91 0.00 -3.30 2.45 -0.06 -1.26 -5.10 117.38 105.20 1u6f n GLN 124 Ca -0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.92 1u6f n GLN 124 Cb 0.04 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.16 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1u6f s ARG 125 N -2.00 0.40 0.24 3.69 0.52 -1.26 -5.03 118.95 115.51 1u6f s ARG 125 Ca 0.00 0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 1u6f s ARG 125 Cb 0.00 -0.26 0.27 0.00 0.52 0.00 0.00 34.95 35.48 1u6f s ARG 125 CO 0.00 -0.74 1.65 -1.00 0.02 0.00 0.00 175.30 175.24 1u6f h PRO 126 N 8.14 0.63 0.00 3.54 0.13 -1.95 -3.47 132.00 139.02 1u6f h PRO 126 Ca -0.17 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1u6f h PRO 126 Cb 1.15 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1u6f h PRO 126 CO 0.27 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1u6f n GLY 127 N -0.24 1.34 3.88 1.56 0.00 -1.26 -5.15 105.19 105.31 1u6f n GLY 127 Ca -0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1u6f n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u6f s ILE 128 N 0.00 4.89 0.09 -0.61 1.01 -1.26 -4.95 121.20 120.37 1u6f s ILE 128 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1u6f s ILE 128 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1u6f s ILE 128 CO 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 174.94 174.69 1u6f n ALA 129 N -0.63 -0.99 0.00 9.38 0.00 -1.26 -5.06 120.51 121.95 1u6f n ALA 129 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1u6f n ALA 129 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.13 -0.11 2.83 0.00 0.00 -1.26 -5.11 105.19 100.42 1u6f n GLY 130 Ca 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.60 -3.08 0.00 4.61 0.00 -1.26 -3.77 120.51 116.41 1u6f n ALA 131 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 53.44 54.54 1u6f n ALA 131 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 15.98 1u6f n ALA 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u6f n VAL 132 N -0.17 0.00 -2.47 0.00 0.31 -1.26 -4.80 118.33 109.93 1u6f n VAL 132 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1u6f n VAL 132 Cb 0.40 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.31 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u6f n GLY 133 N 0.00 -5.52 3.89 2.92 0.00 -1.25 -5.06 105.19 100.18 1u6f n GLY 133 Ca 0.00 0.88 -0.26 0.00 0.00 0.00 0.00 46.02 46.63 1u6f n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u6f s ASP 134 N -0.62 4.61 -0.36 1.61 -1.08 -1.26 -5.09 116.67 114.48 1u6f s ASP 134 Ca -0.13 -1.24 0.14 0.00 -0.52 0.00 0.00 52.55 50.80 1u6f s ASP 134 Cb 0.01 0.34 0.43 0.00 -1.46 0.00 0.00 42.92 42.24 1u6f s ASP 134 CO 0.36 -1.05 1.15 0.61 0.52 0.00 0.00 175.17 176.76 1u6f n GLY 135 N -1.70 1.43 0.82 2.66 0.00 -1.26 -4.95 105.19 102.19 1u6f n GLY 135 Ca -0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 1u6f n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u6f n ASN 136 N -0.33 0.82 0.00 1.61 5.15 -1.26 -5.07 115.26 116.19 1u6f n ASN 136 Ca 0.03 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1u6f n ASN 136 Cb 0.83 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1u6f n ASN 136 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u6f n GLY 137 N 2.79 2.43 5.00 8.20 0.00 -1.26 -4.86 105.19 117.49 1u6f n GLY 137 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 5.73 0.00 -0.53 1.61 9.36 -1.26 -5.27 117.16 126.79 1u6f n TYR 138 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1u6f n TYR 138 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36