#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f n SER 2 N 0.00 -2.35 -1.15 6.12 2.88 -1.26 -4.94 113.62 112.92 1u6f n SER 2 Ca 0.00 0.67 -0.01 0.00 -1.33 0.00 0.00 58.87 58.19 1u6f n SER 2 Cb 0.00 2.30 0.22 0.00 -0.75 0.00 0.00 64.21 65.98 1u6f n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6f n GLN 3 N -3.36 2.25 -2.81 -1.46 3.00 -1.26 -5.02 117.38 108.72 1u6f n GLN 3 Ca 0.00 -3.05 -0.01 0.00 -0.01 0.00 0.00 57.00 53.93 1u6f n GLN 3 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 30.24 28.38 1u6f n GLN 3 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1u6f n ILE 4 N -0.91 -9.92 -2.23 5.09 5.41 -1.26 -4.91 119.36 110.62 1u6f n ILE 4 Ca 0.31 1.67 -0.41 0.00 1.00 0.00 0.00 62.75 65.33 1u6f n ILE 4 Cb 1.04 -5.99 -0.03 0.00 -0.71 0.00 0.00 39.64 33.95 1u6f n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1u6f s PRO 5 N -1.32 4.44 -0.30 0.38 0.04 -1.26 -4.98 135.00 132.01 1u6f s PRO 5 Ca -0.04 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 1u6f s PRO 5 Cb 0.00 -3.12 0.18 0.00 0.04 0.00 0.00 34.50 31.60 1u6f s PRO 5 CO 0.61 -0.08 1.16 -0.48 0.04 0.00 0.00 177.00 178.25 1u6f s LEU 6 N -1.45 -0.23 0.02 -3.56 2.34 -1.26 -5.03 118.68 109.52 1u6f s LEU 6 Ca 0.49 0.17 -0.02 0.00 0.06 0.00 0.00 54.13 54.82 1u6f s LEU 6 Cb -0.37 1.20 -0.02 0.00 -0.56 0.00 0.00 46.19 46.45 1u6f s LEU 6 CO 0.47 -0.04 0.02 -0.69 -1.06 0.00 0.00 176.35 175.05 1u6f s VAL 7 N 2.87 0.12 0.74 1.48 1.01 -1.26 -5.12 120.40 120.24 1u6f s VAL 7 Ca -0.06 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 1u6f s VAL 7 Cb -0.08 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.89 1u6f s VAL 7 CO -0.10 -0.54 1.03 -0.44 0.00 0.00 0.00 175.10 175.05 1u6f s SER 8 N -1.69 4.37 -0.33 3.32 0.01 -1.26 -5.02 113.70 113.10 1u6f s SER 8 Ca -0.12 0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.24 1u6f s SER 8 Cb -0.06 -0.49 0.48 0.00 0.21 0.00 0.00 66.02 66.15 1u6f s SER 8 CO -0.02 -1.86 1.42 0.00 0.41 0.00 0.00 173.24 173.20 1u6f n GLN 9 N -2.97 2.47 0.00 12.44 6.02 -1.26 -4.62 117.38 129.47 1u6f n GLN 9 Ca 0.12 -3.53 0.00 0.00 -0.01 0.00 0.00 57.00 53.58 1u6f n GLN 9 Cb 0.60 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1u6f n GLN 9 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1u6f n TYR 10 N -0.97 0.00 -3.60 1.08 4.02 -1.26 -5.14 117.16 111.29 1u6f n TYR 10 Ca 0.39 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 58.23 1u6f n TYR 10 Cb 0.93 0.11 -0.02 0.00 -0.02 0.00 0.00 39.34 40.34 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1u6f s ASP 11 N -4.71 -0.22 0.97 7.72 1.01 -1.26 -5.18 116.67 115.01 1u6f s ASP 11 Ca 0.00 -0.11 -0.12 0.00 0.71 0.00 0.00 52.55 53.03 1u6f s ASP 11 Cb 0.00 0.31 0.17 0.00 1.01 0.00 0.00 42.92 44.42 1u6f s ASP 11 CO 0.00 -0.54 1.09 -2.16 0.21 0.00 0.00 175.17 173.77 1u6f s PRO 12 N -2.88 0.65 0.15 8.23 0.04 -1.26 -4.64 135.00 135.28 1u6f s PRO 12 Ca 0.09 0.61 0.02 0.00 0.04 0.00 0.00 61.00 61.77 1u6f s PRO 12 Cb -0.00 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1u6f s PRO 12 CO -0.05 -2.60 -0.03 0.71 0.04 0.00 0.00 177.00 175.07 1u6f s TYR 13 N -2.95 1.13 0.00 0.56 1.51 -1.26 -5.10 117.35 111.24 1u6f s TYR 13 Ca 0.65 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1u6f s TYR 13 Cb -0.18 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.03 1u6f s TYR 13 CO 0.57 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.27 1u6f n GLY 14 N -0.18 0.97 0.10 0.71 0.00 -1.26 -5.05 105.19 100.49 1u6f n GLY 14 Ca -0.09 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.19 -6.57 1.61 4.20 -2.08 -3.47 115.11 108.99 1u6f h GLN 15 Ca 0.00 -0.32 -0.46 0.00 0.06 0.00 0.00 58.65 57.93 1u6f h GLN 15 Cb 0.00 0.12 0.03 0.00 0.30 0.00 0.00 27.48 27.93 1u6f h GLN 15 CO 0.00 1.06 -0.16 0.99 -0.67 0.00 0.00 178.83 180.05 1u6f s THR 16 N -2.64 2.48 -0.51 -0.54 2.01 -1.26 -5.10 115.64 110.08 1u6f s THR 16 Ca -0.06 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1u6f s THR 16 Cb 0.08 -2.49 0.20 0.00 0.01 0.00 0.00 72.50 70.30 1u6f s THR 16 CO 0.85 0.00 0.77 0.00 -0.69 0.00 0.00 174.62 175.55 1u6f n ALA 17 N -2.10 -1.88 -1.96 7.40 0.00 -1.26 -5.15 120.51 115.55 1u6f n ALA 17 Ca 0.13 -1.05 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 1u6f n ALA 17 Cb 0.61 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1u6f n ALA 17 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1u6f s GLN 18 N 0.84 3.80 -0.85 0.00 1.11 -1.26 -4.98 119.66 118.32 1u6f s GLN 18 Ca 0.30 0.74 -0.25 0.00 0.01 0.00 0.00 55.36 56.16 1u6f s GLN 18 Cb 0.04 -2.20 0.03 0.00 -1.01 0.00 0.00 33.01 29.87 1u6f s GLN 18 CO -0.08 -0.29 1.47 -1.17 0.01 0.00 0.00 175.29 175.23 1u6f s LEU 19 N -4.34 3.30 -0.15 2.90 1.98 -1.26 -4.50 118.68 116.61 1u6f s LEU 19 Ca 0.55 -0.77 -0.10 0.00 -2.89 0.00 0.00 54.13 50.92 1u6f s LEU 19 Cb -0.10 -2.56 0.04 0.00 0.66 0.00 0.00 46.19 44.23 1u6f s LEU 19 CO 0.38 -1.86 0.21 0.00 -1.89 0.00 0.00 176.35 173.19 1u6f n GLN 20 N 9.13 -4.62 -1.23 1.98 1.13 -1.26 -4.98 117.38 117.53 1u6f n GLN 20 Ca 0.20 3.46 0.01 0.00 -1.94 0.00 0.00 57.00 58.73 1u6f n GLN 20 Cb 0.50 -4.92 0.11 0.00 0.11 0.00 0.00 30.24 26.04 1u6f n GLN 20 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1u6f n GLN 21 N 1.69 1.32 -2.94 -1.09 7.27 -1.26 -4.95 117.38 117.42 1u6f n GLN 21 Ca -0.35 -3.00 -0.21 0.00 0.07 0.00 0.00 57.00 53.50 1u6f n GLN 21 Cb 0.54 -1.17 0.03 0.00 2.41 0.00 0.00 30.24 32.05 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1u6f n LEU 22 N -0.51 -2.59 -4.97 1.69 0.00 -1.26 -4.99 117.00 104.37 1u6f n LEU 22 Ca 0.17 -0.25 -0.21 0.00 0.00 0.00 0.00 56.01 55.71 1u6f n LEU 22 Cb 0.88 -2.88 -0.00 0.00 0.00 0.00 0.00 43.42 41.42 1u6f n LEU 22 CO 0.02 0.19 0.14 -1.10 0.00 0.00 0.00 177.39 176.64 1u6f s GLN 23 N -5.60 3.20 0.38 1.96 -0.21 -1.26 -5.13 119.66 113.01 1u6f s GLN 23 Ca 0.27 -0.68 0.08 0.00 0.02 0.00 0.00 55.36 55.05 1u6f s GLN 23 Cb -0.12 -2.71 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 1u6f s GLN 23 CO 0.33 0.01 0.03 -1.14 -2.12 0.00 0.00 175.29 172.40 1u6f s GLN 24 N -4.30 2.03 0.21 2.91 2.00 -1.26 -5.14 119.66 116.10 1u6f s GLN 24 Ca 0.44 -1.92 -0.18 0.00 -2.00 0.00 0.00 55.36 51.70 1u6f s GLN 24 Cb -0.10 -1.81 0.03 0.00 0.80 0.00 0.00 33.01 31.93 1u6f s GLN 24 CO 0.34 0.02 0.54 -0.65 -0.50 0.00 0.00 175.29 175.04 1u6f s GLN 25 N -3.74 1.43 -0.09 1.67 -1.52 -1.26 -5.09 119.66 111.06 1u6f s GLN 25 Ca 0.36 -0.90 -0.01 0.00 -1.95 0.00 0.00 55.36 52.86 1u6f s GLN 25 Cb 0.05 0.53 -0.00 0.00 -0.22 0.00 0.00 33.01 33.36 1u6f s GLN 25 CO 0.19 -0.61 -0.01 1.96 -0.25 0.00 0.00 175.29 176.56 1u6f h GLN 26 N 2.18 0.00 0.00 2.91 1.08 -2.06 -3.47 115.11 115.74 1u6f h GLN 26 Ca -0.28 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.72 1u6f h GLN 26 Cb 1.26 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.81 1u6f h GLN 26 CO 0.36 0.00 -0.10 1.04 -0.95 0.00 0.00 178.83 179.18 1u6f n GLN 27 N -4.40 -3.63 -2.17 1.46 6.02 -1.26 -5.04 117.38 108.36 1u6f n GLN 27 Ca -0.01 -0.83 -0.17 0.00 -0.01 0.00 0.00 57.00 55.99 1u6f n GLN 27 Cb 0.02 -1.07 0.08 0.00 1.02 0.00 0.00 30.24 30.29 1u6f n GLN 27 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u6f n GLN 28 N -4.16 0.20 -3.21 -1.09 1.13 -1.26 -5.11 117.38 103.87 1u6f n GLN 28 Ca 0.08 -2.11 -0.01 0.00 -1.94 0.00 0.00 57.00 53.01 1u6f n GLN 28 Cb 0.34 -0.44 -0.02 0.00 0.11 0.00 0.00 30.24 30.23 1u6f n GLN 28 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1u6f s HIS 29 N -2.16 -1.52 -0.18 1.08 3.76 -1.26 -5.04 115.29 109.98 1u6f s HIS 29 Ca 0.49 0.67 -0.19 0.00 -0.15 0.00 0.00 55.06 55.88 1u6f s HIS 29 Cb -0.03 0.14 -0.22 0.00 1.11 0.00 0.00 32.58 33.58 1u6f s HIS 29 CO 0.32 -1.06 0.32 0.82 -0.85 0.00 0.00 174.74 174.29 1u6f h ILE 30 N 5.88 0.93 -0.27 0.60 5.03 -1.99 -3.35 117.51 124.35 1u6f h ILE 30 Ca -0.02 -2.25 0.02 0.00 -0.12 0.00 0.00 64.86 62.50 1u6f h ILE 30 Cb 1.16 2.40 -0.03 0.00 -3.03 0.00 0.00 36.82 37.33 1u6f h ILE 30 CO 0.18 0.48 0.11 -0.65 -0.68 0.00 0.00 178.15 177.59 1u6f h PRO 31 N -0.72 0.23 -0.00 2.37 0.11 -2.04 -2.17 132.00 129.78 1u6f h PRO 31 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1u6f h PRO 31 Cb 1.47 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.53 1u6f h PRO 31 CO -0.11 0.15 0.01 -1.35 -0.21 0.00 0.00 178.00 176.49 1u6f h PRO 32 N 0.24 0.00 -4.56 1.05 0.11 -2.00 -3.47 132.00 123.37 1u6f h PRO 32 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1u6f h PRO 32 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1u6f h PRO 32 CO -0.10 0.00 -0.52 2.41 -0.21 0.00 0.00 178.00 179.57 1u6f n THR 33 N -3.63 -8.78 -0.06 -1.15 -1.04 -0.82 -5.00 114.28 93.80 1u6f n THR 33 Ca -0.03 0.96 -0.09 0.00 -2.04 0.00 0.00 64.05 62.86 1u6f n THR 33 Cb 0.09 -6.22 0.08 0.00 -1.82 0.00 0.00 70.33 62.46 1u6f n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6f n GLN 34 N 0.05 -2.80 0.00 -2.82 1.13 -1.25 -3.93 117.38 107.75 1u6f n GLN 34 Ca 0.04 -0.41 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 1u6f n GLN 34 Cb 0.17 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 29.98 1u6f n GLN 34 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1u6f n MET 35 N -3.07 0.00 -3.08 -1.09 2.81 -1.26 -4.70 117.12 106.73 1u6f n MET 35 Ca 0.04 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1u6f n MET 35 Cb 0.17 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.69 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1u6f n ASN 36 N 1.84 -7.67 -4.57 7.83 4.13 -1.25 -4.84 115.26 110.74 1u6f n ASN 36 Ca 0.00 -0.14 -0.29 0.00 1.68 0.00 0.00 54.58 55.83 1u6f n ASN 36 Cb 0.00 -5.30 -0.05 0.00 -1.54 0.00 0.00 39.78 32.89 1u6f n ASN 36 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1u6f s PRO 37 N -3.16 2.65 -0.25 3.52 0.04 -1.26 -4.93 135.00 131.61 1u6f s PRO 37 Ca 0.05 -0.64 -0.28 0.00 0.04 0.00 0.00 61.00 60.17 1u6f s PRO 37 Cb -0.01 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.34 1u6f s PRO 37 CO 0.75 -3.44 2.13 -1.21 0.04 0.00 0.00 177.00 175.27 1u6f s GLU 38 N 6.64 3.14 0.63 4.56 0.41 -1.26 -4.83 118.70 127.98 1u6f s GLU 38 Ca 0.68 1.88 0.39 0.00 -0.41 0.00 0.00 54.97 57.50 1u6f s GLU 38 Cb -0.04 -4.34 2.10 0.00 -1.78 0.00 0.00 34.13 30.07 1u6f s GLU 38 CO 0.03 -2.09 2.28 -1.35 -0.49 0.00 0.00 175.26 173.64 1u6f h PRO 39 N 14.73 0.00 -0.17 0.39 0.11 -1.98 -2.42 132.00 142.66 1u6f h PRO 39 Ca -0.39 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.77 1u6f h PRO 39 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1u6f h PRO 39 CO 0.98 0.01 0.24 0.38 -0.21 0.00 0.00 178.00 179.41 1u6f h ASP 40 N 0.00 0.00 -0.79 -2.05 3.04 -2.01 -1.29 116.42 113.33 1u6f h ASP 40 Ca -0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 1u6f h ASP 40 Cb 0.10 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 38.17 1u6f h ASP 40 CO 0.00 0.00 0.67 1.33 -2.04 0.00 0.00 179.24 179.20 1u6f n VAL 41 N -3.55 3.25 -0.05 4.15 0.24 -0.91 -4.28 118.33 117.18 1u6f n VAL 41 Ca 0.01 -2.39 -0.13 0.00 -2.04 0.00 0.00 64.34 59.79 1u6f n VAL 41 Cb 0.35 -1.25 -0.14 0.00 -1.47 0.00 0.00 33.84 31.33 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 -0.32 1.39 0.19 1.34 4.77 -0.49 -3.88 117.00 120.01 1u6f n LEU 42 Ca 0.48 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 1u6f n LEU 42 Cb 0.61 -0.22 0.68 0.00 -2.33 0.00 0.00 43.42 42.16 1u6f n LEU 42 CO 0.60 0.60 0.88 0.08 -1.33 0.00 0.00 177.39 178.22 1u6f h ARG 43 N 0.02 0.00 -6.38 3.23 0.11 -1.75 -3.41 114.38 106.21 1u6f h ARG 43 Ca -0.42 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.11 1u6f h ARG 43 Cb 2.06 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 33.08 1u6f h ARG 43 CO 0.05 0.00 1.13 1.21 0.10 0.00 0.00 179.97 182.46 1u6f s ASN 44 N -4.18 6.06 -0.28 0.08 3.04 -1.26 -0.62 114.94 117.77 1u6f s ASN 44 Ca -0.03 0.48 -0.08 0.00 0.04 0.00 0.00 52.86 53.26 1u6f s ASN 44 Cb 0.07 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.22 1u6f s ASN 44 CO 0.23 -1.72 0.12 -0.76 -3.04 0.00 0.00 177.10 171.92 1u6f s LEU 45 N 6.30 3.83 -0.40 3.21 2.01 -0.27 -1.88 118.68 131.48 1u6f s LEU 45 Ca 0.58 -0.40 -0.21 0.00 0.01 0.00 0.00 54.13 54.10 1u6f s LEU 45 Cb -0.12 -1.96 0.01 0.00 0.01 0.00 0.00 46.19 44.12 1u6f s LEU 45 CO 0.27 -0.13 0.66 -0.32 1.01 0.00 0.00 176.35 177.84 1u6f s MET 46 N 1.61 3.51 -0.16 1.70 -2.45 0.30 1.00 119.30 124.81 1u6f s MET 46 Ca 0.05 -0.10 -0.07 0.00 -1.25 0.00 0.00 55.69 54.32 1u6f s MET 46 Cb -0.16 -3.87 -0.04 0.00 1.25 0.00 0.00 34.83 32.00 1u6f s MET 46 CO 0.05 -0.88 0.08 0.14 1.05 0.00 0.00 175.02 175.46 1u6f s VAL 47 N 2.83 4.95 -0.01 10.11 -7.23 0.36 0.28 120.40 131.69 1u6f s VAL 47 Ca 0.25 0.01 -0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1u6f s VAL 47 Cb -0.14 -3.20 0.02 0.00 0.56 0.00 0.00 36.38 33.62 1u6f s VAL 47 CO 0.17 0.51 0.02 0.21 -0.31 0.00 0.00 175.10 175.70 1u6f s ASN 48 N -0.12 0.03 0.39 4.85 3.84 0.60 0.12 114.94 124.65 1u6f s ASN 48 Ca 0.08 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1u6f s ASN 48 Cb -0.12 -0.03 0.00 0.00 -0.55 0.00 0.00 41.25 40.55 1u6f s ASN 48 CO 0.01 -0.07 0.00 0.00 -2.79 0.00 0.00 177.10 174.25 1u6f n TYR 49 N 3.66 -4.30 -4.12 0.43 9.36 -1.26 -2.06 117.16 118.87 1u6f n TYR 49 Ca -0.20 1.33 -0.34 0.00 3.32 0.00 0.00 57.90 62.01 1u6f n TYR 49 Cb 0.55 3.39 -0.07 0.00 -0.63 0.00 0.00 39.34 42.57 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 -1.87 4.75 0.00 2.97 -0.00 -1.26 -5.04 121.20 120.74 1u6f s ILE 50 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 60.65 60.33 1u6f s ILE 50 Cb 0.00 -3.13 0.00 0.00 -0.00 0.00 0.00 42.46 39.33 1u6f s ILE 50 CO 0.00 0.42 0.00 -0.81 -0.00 0.00 0.00 174.94 174.55 1u6f n PRO 51 N 1.42 0.00 0.14 0.37 -0.04 -1.26 -3.73 135.00 131.91 1u6f n PRO 51 Ca -0.15 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1u6f n PRO 51 Cb 0.53 -0.19 0.37 0.00 -0.04 0.00 0.00 33.50 34.17 1u6f n PRO 51 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1u6f h THR 52 N 0.00 0.00 -0.34 0.52 2.02 -1.93 -3.12 112.91 110.06 1u6f h THR 52 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1u6f h THR 52 Cb 0.00 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1u6f h THR 52 CO 0.00 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.30 1u6f n THR 53 N -2.51 0.88 -2.05 3.16 -1.04 -1.26 -4.80 114.28 106.66 1u6f n THR 53 Ca 0.05 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.05 61.04 1u6f n THR 53 Cb 0.43 -0.03 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.67 3.57 -0.21 12.58 0.11 -1.18 -4.87 120.40 128.73 1u6f s VAL 54 Ca 0.26 0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 59.90 1u6f s VAL 54 Cb 0.16 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.35 1u6f s VAL 54 CO 0.13 -0.36 -0.09 -1.81 -3.33 0.00 0.00 175.10 169.64 1u6f s ASP 55 N 5.16 3.96 0.61 3.54 1.11 -1.26 -4.95 116.67 124.83 1u6f s ASP 55 Ca 0.76 -0.58 0.30 0.00 0.18 0.00 0.00 52.55 53.21 1u6f s ASP 55 Cb -0.24 -1.65 1.64 0.00 1.07 0.00 0.00 42.92 43.75 1u6f s ASP 55 CO 0.32 -0.04 2.02 1.05 1.18 0.00 0.00 175.17 179.70 1u6f h GLU 56 N 8.04 0.00 0.32 8.23 4.11 -1.94 -1.80 114.58 131.54 1u6f h GLU 56 Ca -0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.01 1u6f h GLU 56 Cb 1.14 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 0.00 179.01 179.81 1u6f h VAL 57 N 0.00 0.52 -0.77 -1.06 2.07 -1.96 0.90 116.25 115.95 1u6f h VAL 57 Ca 0.10 -0.74 0.18 0.00 0.82 0.00 0.00 66.70 67.06 1u6f h VAL 57 Cb 0.70 0.82 -0.12 0.00 -1.52 0.00 0.00 31.29 31.16 1u6f h VAL 57 CO -0.00 0.11 0.15 -0.61 0.02 0.00 0.00 177.57 177.24 1u6f h GLN 58 N -0.93 0.21 0.00 1.57 4.15 -1.76 0.60 115.11 118.96 1u6f h GLN 58 Ca -0.04 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 1u6f h GLN 58 Cb 0.52 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1u6f h GLN 58 CO 0.07 0.14 -0.67 -0.07 -1.93 0.00 0.00 178.83 176.37 1u6f h LEU 59 N 0.22 0.00 0.17 -2.39 3.38 -1.52 -2.57 115.31 112.59 1u6f h LEU 59 Ca 0.44 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1u6f h LEU 59 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1u6f h LEU 59 CO -0.58 0.67 -0.30 -0.09 0.09 0.00 0.00 178.44 178.23 1u6f h ARG 60 N 0.00 -0.53 -0.04 1.13 1.12 0.64 1.27 114.38 117.97 1u6f h ARG 60 Ca -0.01 0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.73 1u6f h ARG 60 Cb 1.43 0.12 0.01 0.00 -0.01 0.00 0.00 29.97 31.52 1u6f h ARG 60 CO 0.09 -0.35 -0.64 1.96 -3.11 0.00 0.00 179.97 177.92 1u6f h GLN 61 N -0.55 0.50 -0.47 0.20 4.20 -1.28 0.12 115.11 117.83 1u6f h GLN 61 Ca 0.02 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 1u6f h GLN 61 Cb 0.55 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1u6f h GLN 61 CO -0.14 1.12 0.20 1.25 -0.67 0.00 0.00 178.83 180.60 1u6f h LEU 62 N 0.06 0.64 0.00 1.46 5.85 -1.35 -1.96 115.31 120.01 1u6f h LEU 62 Ca -0.07 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 1u6f h LEU 62 Cb 1.31 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1u6f h LEU 62 CO 0.13 0.61 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.03 1u6f h PHE 63 N 0.62 0.00 -0.28 1.25 -1.00 0.15 -3.32 116.94 114.36 1u6f h PHE 63 Ca 0.16 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.02 1u6f h PHE 63 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1u6f h PHE 63 CO -0.00 1.21 0.36 1.05 -1.61 0.00 0.00 178.31 179.32 1u6f h GLU 64 N -1.00 0.00 0.01 1.51 4.11 -0.78 -0.90 114.58 117.53 1u6f h GLU 64 Ca -0.15 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.30 1u6f h GLU 64 Cb 1.13 0.00 -0.03 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 -0.23 -0.00 1.06 9.65 -1.44 -0.58 114.38 122.84 1u6f h ARG 65 Ca 0.13 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1u6f h ARG 65 Cb 0.86 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 1u6f h ARG 65 CO -0.00 -0.15 -0.11 0.66 2.80 0.00 0.00 179.97 183.16 1u6f n TYR 66 N -5.27 0.00 -3.00 2.20 4.01 -0.44 -4.69 117.16 109.97 1u6f n TYR 66 Ca -0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1u6f n TYR 66 Cb 0.19 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.76 -1.17 -0.27 2.72 0.00 -0.65 -4.55 107.32 100.65 1u6f s GLY 67 Ca 0.21 1.79 -0.42 0.00 0.00 0.00 0.00 44.72 46.30 1u6f s GLY 67 CO 0.53 4.19 1.55 -1.05 0.00 0.00 0.00 173.10 178.32 1u6f n PRO 68 N 4.55 0.61 -2.83 2.90 -0.02 -0.31 -3.91 135.00 135.99 1u6f n PRO 68 Ca 0.08 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1u6f n PRO 68 Cb 0.60 -1.81 -0.07 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 2.48 4.30 -0.27 4.25 -4.36 -1.26 -1.74 121.20 124.59 1u6f s ILE 69 Ca 0.98 1.68 -0.10 0.00 -0.26 0.00 0.00 60.65 62.95 1u6f s ILE 69 Cb -1.23 -3.90 -0.13 0.00 1.25 0.00 0.00 42.46 38.45 1u6f s ILE 69 CO 0.67 0.04 -0.33 1.21 0.24 0.00 0.00 174.94 176.78 1u6f n GLU 70 N 0.29 0.60 -3.64 0.37 2.13 0.32 -4.73 120.64 115.98 1u6f n GLU 70 Ca 0.03 0.23 -0.28 0.00 0.66 0.00 0.00 57.16 57.80 1u6f n GLU 70 Cb 0.51 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.56 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 -7.27 3.08 -0.07 4.31 0.15 -1.03 -5.03 113.70 107.85 1u6f s SER 71 Ca -0.38 -1.01 -0.01 0.00 0.70 0.00 0.00 55.95 55.25 1u6f s SER 71 Cb 0.13 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1u6f s SER 71 CO 0.52 -0.37 -0.01 0.54 1.20 0.00 0.00 173.24 175.12 1u6f s VAL 72 N 1.97 4.23 0.15 4.45 0.11 -1.26 -1.24 120.40 128.81 1u6f s VAL 72 Ca 0.04 -0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 58.59 1u6f s VAL 72 Cb -0.16 -2.78 0.04 0.00 -1.53 0.00 0.00 36.38 31.95 1u6f s VAL 72 CO -0.19 0.58 0.49 -0.75 -3.33 0.00 0.00 175.10 171.90 1u6f s LYS 73 N -0.95 1.21 0.04 1.54 2.20 0.20 -4.97 119.74 119.00 1u6f s LYS 73 Ca 0.14 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1u6f s LYS 73 Cb -0.11 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1u6f s LYS 73 CO 0.03 -0.50 -0.02 0.42 -0.36 0.00 0.00 175.35 174.92 1u6f s ILE 74 N -3.80 3.98 -0.62 5.43 1.01 -1.26 0.24 121.20 126.18 1u6f s ILE 74 Ca 0.04 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1u6f s ILE 74 Cb 0.00 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.76 1u6f s ILE 74 CO -0.10 0.27 0.73 -0.69 0.00 0.00 0.00 174.94 175.15 1u6f s VAL 75 N -1.16 4.82 0.80 2.92 1.01 0.43 -4.82 120.40 124.40 1u6f s VAL 75 Ca 0.22 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1u6f s VAL 75 Cb -0.11 -4.51 0.14 0.00 0.00 0.00 0.00 36.38 31.89 1u6f s VAL 75 CO 0.13 -1.16 1.12 0.00 0.00 0.00 0.00 175.10 175.19 1u6f s ASP 77 N -4.74 6.78 0.00 0.00 -1.08 -0.67 -4.85 116.67 112.10 1u6f s ASP 77 Ca 0.68 0.86 0.17 0.00 -0.52 0.00 0.00 52.55 53.74 1u6f s ASP 77 Cb -0.06 -2.45 0.72 0.00 -1.46 0.00 0.00 42.92 39.68 1u6f s ASP 77 CO 0.48 -0.64 1.54 -1.14 0.52 0.00 0.00 175.17 175.92 1u6f n ARG 78 N 6.28 0.00 -0.01 4.34 0.63 -1.26 0.44 116.66 127.08 1u6f n ARG 78 Ca 0.06 0.21 -0.13 0.00 -0.92 0.00 0.00 57.85 57.07 1u6f n ARG 78 Cb 0.48 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.79 1u6f n ARG 78 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1u6f h GLU 79 N 0.00 -0.05 -0.11 -0.14 4.22 -1.96 -3.36 114.58 113.18 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 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 0.53 0.00 2.41 -2.18 0.00 0.00 179.01 179.77 1u6f n THR 80 N -4.82 0.75 -2.81 0.32 -1.04 -1.20 -4.98 114.28 100.49 1u6f n THR 80 Ca -0.09 -0.87 -0.18 0.00 -2.04 0.00 0.00 64.05 60.87 1u6f n THR 80 Cb 0.30 0.65 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1u6f n ARG 81 N 0.01 -3.03 -4.02 -2.82 5.12 0.17 -4.95 116.66 107.14 1u6f n ARG 81 Ca 0.04 0.68 -0.36 0.00 -1.93 0.00 0.00 57.85 56.28 1u6f n ARG 81 Cb 0.27 -5.37 -0.07 0.00 -1.16 0.00 0.00 32.46 26.13 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 -5.44 3.30 -0.28 5.56 -0.21 -1.15 -4.89 119.66 116.55 1u6f s GLN 82 Ca 0.17 -0.24 -0.28 0.00 0.02 0.00 0.00 55.36 55.03 1u6f s GLN 82 Cb -0.09 -3.06 -0.03 0.00 1.00 0.00 0.00 33.01 30.83 1u6f s GLN 82 CO 0.21 0.74 1.98 -1.12 -2.12 0.00 0.00 175.29 174.98 1u6f s SER 83 N -1.12 5.72 0.00 5.90 0.01 -1.26 -1.67 113.70 121.28 1u6f s SER 83 Ca 0.16 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.00 1u6f s SER 83 Cb -0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1u6f s SER 83 CO 0.05 -1.80 0.00 0.54 0.41 0.00 0.00 173.24 172.44 1u6f n ARG 84 N 8.55 0.00 0.00 12.44 1.74 -1.26 -4.44 116.66 133.69 1u6f n ARG 84 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1u6f n ARG 84 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 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 2.24 3.83 -0.13 0.00 -1.21 -3.63 105.19 106.29 1u6f n GLY 85 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.40 1.61 -0.85 -1.08 -4.63 117.35 112.81 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 42.98 1u6f s TYR 86 CO 0.00 -0.60 0.19 0.41 -1.52 0.00 0.00 175.55 174.03 1u6f n GLY 87 N -0.66 3.17 3.06 5.49 0.00 0.32 0.16 105.19 116.74 1u6f n GLY 87 Ca -0.03 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.19 -0.36 -0.25 1.61 2.19 0.67 -0.49 117.98 119.17 1u6f s PHE 88 Ca 0.14 0.85 0.02 0.00 0.33 0.00 0.00 56.93 58.27 1u6f s PHE 88 Cb -0.01 0.05 0.06 0.00 -1.31 0.00 0.00 43.02 41.81 1u6f s PHE 88 CO 0.09 -0.26 -0.07 0.14 1.83 0.00 0.00 175.22 176.95 1u6f s VAL 89 N 1.42 1.83 -0.46 3.12 -7.23 0.28 0.59 120.40 119.95 1u6f s VAL 89 Ca -0.08 -1.45 -0.24 0.00 -1.81 0.00 0.00 61.98 58.40 1u6f s VAL 89 Cb -0.10 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1u6f s VAL 89 CO -0.09 -0.09 0.86 -0.75 -0.31 0.00 0.00 175.10 174.72 1u6f s LYS 90 N 1.25 3.46 0.59 4.82 2.20 -0.37 -1.12 119.74 130.58 1u6f s LYS 90 Ca -0.07 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1u6f s LYS 90 Cb -0.19 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 1u6f s LYS 90 CO -0.06 -1.18 1.06 -0.06 -0.36 0.00 0.00 175.35 174.75 1u6f s PHE 91 N 3.53 2.98 0.13 4.03 0.40 0.20 0.12 117.98 129.37 1u6f s PHE 91 Ca 0.33 1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 57.91 1u6f s PHE 91 Cb -0.11 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.38 1u6f s PHE 91 CO 0.24 -1.13 1.61 1.96 0.70 0.00 0.00 175.22 178.60 1u6f h GLN 92 N 0.44 -0.39 -6.33 0.44 4.20 -1.63 -3.41 115.11 108.43 1u6f h GLN 92 Ca -0.47 0.03 -0.59 0.00 0.06 0.00 0.00 58.65 57.68 1u6f h GLN 92 Cb 1.22 0.09 -0.22 0.00 0.30 0.00 0.00 27.48 28.87 1u6f h GLN 92 CO 0.57 -0.26 -0.84 0.45 -0.67 0.00 0.00 178.83 178.08 1u6f s SER 93 N -4.91 2.72 0.55 1.46 0.15 -1.26 -4.96 113.70 107.44 1u6f s SER 93 Ca -0.15 -0.68 0.26 0.00 0.70 0.00 0.00 55.95 56.08 1u6f s SER 93 Cb 0.10 -0.17 1.45 0.00 -1.71 0.00 0.00 66.02 65.69 1u6f s SER 93 CO 0.66 0.10 2.01 1.23 1.20 0.00 0.00 173.24 178.44 1u6f h GLY 94 N 4.14 0.00 2.00 9.45 0.00 -1.84 0.25 103.07 117.08 1u6f h GLY 94 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1u6f h GLY 94 CO 0.40 0.00 -0.05 1.76 0.00 0.00 0.00 176.54 178.65 1u6f h SER 95 N 0.00 0.00 0.82 0.19 0.02 -1.95 -0.87 113.55 111.76 1u6f h SER 95 Ca 0.21 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 1u6f h SER 95 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1u6f h SER 95 CO -0.00 0.05 -0.67 0.28 -1.14 0.00 0.00 176.83 175.35 1u6f h SER 96 N 0.00 0.00 -0.58 3.07 0.02 -0.88 -3.22 113.55 111.96 1u6f h SER 96 Ca -0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1u6f h SER 96 Cb 0.13 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1u6f h SER 96 CO 0.01 0.67 0.29 0.00 -1.14 0.00 0.00 176.83 176.66 1u6f h ALA 97 N 1.33 0.76 -0.76 3.77 0.00 -1.19 0.11 119.26 123.28 1u6f h ALA 97 Ca -0.01 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1u6f h ALA 97 Cb 1.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1u6f h ALA 97 CO 0.09 -0.06 0.50 1.96 0.00 0.00 0.00 179.25 181.74 1u6f h GLN 98 N 0.55 0.60 -0.01 0.00 4.20 -1.61 0.39 115.11 119.23 1u6f h GLN 98 Ca 0.26 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.74 1u6f h GLN 98 Cb 0.19 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1u6f h GLN 98 CO -0.19 0.40 -0.86 1.96 -0.67 0.00 0.00 178.83 179.47 1u6f h GLN 99 N 0.62 0.27 0.30 1.46 4.20 -1.27 -1.37 115.11 119.32 1u6f h GLN 99 Ca 0.35 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1u6f h GLN 99 Cb 0.54 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1u6f h GLN 99 CO -0.13 0.98 -0.15 0.00 -0.67 0.00 0.00 178.83 178.86 1u6f h ALA 100 N 0.93 -0.41 0.00 3.87 0.00 0.88 -1.94 119.26 122.59 1u6f h ALA 100 Ca -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u6f h ALA 100 Cb 1.47 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1u6f h ALA 100 CO 0.14 -0.47 -0.02 0.82 0.00 0.00 0.00 179.25 179.72 1u6f h ILE 101 N -0.93 0.62 -0.10 0.00 1.08 -0.43 1.12 117.51 118.86 1u6f h ILE 101 Ca -0.04 -0.09 -0.22 0.00 -0.39 0.00 0.00 64.86 64.12 1u6f h ILE 101 Cb 0.51 1.06 0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1u6f h ILE 101 CO 0.07 0.02 -0.80 0.00 -0.69 0.00 0.00 178.15 176.75 1u6f h ALA 102 N 1.98 0.23 0.00 1.87 0.00 -1.18 -3.09 119.26 119.07 1u6f h ALA 102 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u6f h ALA 102 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u6f h ALA 102 CO 0.00 0.62 -0.02 0.41 0.00 0.00 0.00 179.25 180.27 1u6f n GLY 103 N 0.82 4.43 0.00 0.00 0.00 -0.74 -4.76 105.19 104.95 1u6f n GLY 103 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.25 0.40 -4.67 0.99 4.77 0.38 -4.83 117.00 112.80 1u6f n LEU 104 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1u6f n LEU 104 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1u6f n LEU 104 CO 0.01 0.07 1.58 0.21 -1.33 0.00 0.00 177.39 177.93 1u6f s ASN 105 N -2.54 6.43 -2.07 -1.43 3.04 -1.16 -0.72 114.94 116.50 1u6f s ASN 105 Ca 0.00 2.71 0.00 0.00 0.04 0.00 0.00 52.86 55.61 1u6f s ASN 105 Cb 0.00 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 1u6f s ASN 105 CO 0.00 -1.05 0.00 0.61 -3.04 0.00 0.00 177.10 173.62 1u6f n GLY 106 N 4.49 1.61 3.44 1.21 0.00 0.26 -4.79 105.19 111.42 1u6f n GLY 106 Ca 0.19 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.63 0.20 -1.94 1.61 7.35 0.10 -4.59 117.46 117.56 1u6f n PHE 107 Ca -0.20 -0.35 -0.24 0.00 -0.76 0.00 0.00 57.45 55.89 1u6f n PHE 107 Cb 0.66 -1.11 -0.07 0.00 0.35 0.00 0.00 39.48 39.31 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 6.62 4.69 0.68 -2.13 3.84 -1.26 -1.69 114.94 125.69 1u6f s ASN 108 Ca 0.61 -1.15 -0.11 0.00 0.21 0.00 0.00 52.86 52.42 1u6f s ASN 108 Cb 0.08 -2.58 -0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1u6f s ASN 108 CO 0.26 -3.35 1.06 -0.51 -2.79 0.00 0.00 177.10 171.78 1u6f s ILE 109 N 12.12 4.00 0.66 -5.21 2.07 0.37 -4.90 121.20 130.32 1u6f s ILE 109 Ca 0.73 0.65 0.23 0.00 -1.41 0.00 0.00 60.65 60.85 1u6f s ILE 109 Cb -0.04 -3.56 0.24 0.00 0.13 0.00 0.00 42.46 39.23 1u6f s ILE 109 CO 0.10 -0.85 1.70 0.25 -1.91 0.00 0.00 174.94 174.23 1u6f h LEU 110 N -0.60 0.00 0.00 8.50 6.46 -2.04 -2.56 115.31 125.07 1u6f h LEU 110 Ca -0.45 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.03 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 -2.05 0.59 -0.62 0.00 0.00 178.44 176.97 1u6f n ASN 111 N -2.85 2.23 -1.94 1.25 5.03 -1.26 -5.10 115.26 112.62 1u6f n ASN 111 Ca -0.01 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 1u6f n ASN 111 Cb 0.55 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 1u6f n ASN 111 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1u6f n LYS 112 N -3.28 0.22 -3.94 3.52 0.00 -0.96 -5.15 118.16 108.57 1u6f n LYS 112 Ca -0.34 -1.38 -0.29 0.00 -0.00 0.00 0.00 58.31 56.30 1u6f n LYS 112 Cb 0.82 1.19 -0.16 0.00 -0.00 0.00 0.00 35.03 36.88 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 -2.51 1.73 -0.68 -1.58 3.52 -1.26 0.14 118.95 118.31 1u6f s ARG 113 Ca 0.16 -0.69 -0.27 0.00 -0.13 0.00 0.00 55.73 54.79 1u6f s ARG 113 Cb 0.00 -2.23 0.02 0.00 -1.56 0.00 0.00 34.95 31.19 1u6f s ARG 113 CO 0.11 -0.44 1.32 -0.51 -0.81 0.00 0.00 175.30 174.98 1u6f s LEU 114 N 1.51 3.26 -0.25 -0.88 1.43 -0.68 -4.71 118.68 118.35 1u6f s LEU 114 Ca -0.01 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1u6f s LEU 114 Cb -0.16 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1u6f s LEU 114 CO -0.08 -1.79 0.70 -0.75 0.23 0.00 0.00 176.35 174.65 1u6f s LYS 115 N 5.66 4.13 -0.10 1.70 2.20 -0.88 0.90 119.74 133.35 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 -0.09 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u6f s LYS 115 CO 0.19 -0.46 -0.11 0.08 -0.36 0.00 0.00 175.35 174.70 1u6f s VAL 116 N 2.63 1.16 -0.04 4.02 1.01 -1.25 -0.29 120.40 127.63 1u6f s VAL 116 Ca 0.29 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1u6f s VAL 116 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1u6f s VAL 116 CO 0.08 0.38 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 1u6f s ALA 117 N 1.26 0.93 0.39 5.51 0.00 0.14 -4.67 121.76 125.32 1u6f s ALA 117 Ca -0.03 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1u6f s ALA 117 Cb -0.14 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 1u6f s ALA 117 CO -0.04 0.10 1.29 -0.51 0.00 0.00 0.00 175.76 176.61 1u6f s LEU 118 N 0.48 4.26 0.17 0.00 2.01 -1.26 0.11 118.68 124.45 1u6f s LEU 118 Ca -0.08 2.64 -0.15 0.00 0.01 0.00 0.00 54.13 56.56 1u6f s LEU 118 Cb -0.12 -3.85 0.09 0.00 0.01 0.00 0.00 46.19 42.32 1u6f s LEU 118 CO 0.01 -0.76 1.78 0.00 1.01 0.00 0.00 176.35 178.39 1u6f h ALA 119 N 2.84 0.55 -0.86 4.21 0.00 -1.60 -3.45 119.26 120.95 1u6f h ALA 119 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u6f h ALA 119 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1u6f h ALA 119 CO 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1u6f n ALA 120 N -2.31 0.00 -3.13 0.00 0.00 -1.25 -4.07 120.51 109.75 1u6f n ALA 120 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1u6f n ALA 120 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1u6f n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u6f s SER 121 N -4.00 -0.02 0.61 0.00 0.01 -1.26 -4.86 113.70 104.18 1u6f s SER 121 Ca 0.00 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1u6f s SER 121 Cb 0.00 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.20 1u6f s SER 121 CO 0.00 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1u6f n GLY 122 N 4.94 0.49 2.66 3.44 0.00 -1.26 -5.02 105.19 110.45 1u6f n GLY 122 Ca 0.11 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 1u6f n GLY 122 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1u6f n HIS 123 N 12.13 -3.68 -0.12 1.61 -0.00 -1.26 -5.00 115.22 118.90 1u6f n HIS 123 Ca 0.00 1.61 -0.17 0.00 -0.00 0.00 0.00 57.72 59.16 1u6f n HIS 123 Cb 0.00 -3.88 -0.12 0.00 -0.00 0.00 0.00 29.99 25.99 1u6f n HIS 123 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1u6f n GLN 124 N 0.49 0.64 0.00 1.57 6.02 -1.26 -5.03 117.38 119.81 1u6f n GLN 124 Ca 0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1u6f n GLN 124 Cb 0.08 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 -3.18 0.00 -1.72 -1.09 0.63 -1.26 -5.15 116.66 104.89 1u6f n ARG 125 Ca -0.43 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.13 1u6f n ARG 125 Cb 0.98 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.96 1u6f n ARG 125 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1u6f n PRO 126 N -2.31 1.10 -0.99 -0.14 -0.02 -1.26 -4.93 135.00 126.44 1u6f n PRO 126 Ca 0.00 0.43 -0.08 0.00 -2.02 0.00 0.00 63.50 61.83 1u6f n PRO 126 Cb 0.00 -2.51 0.27 0.00 -0.02 0.00 0.00 33.50 31.24 1u6f n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u6f n GLY 127 N 0.95 4.00 3.27 -1.23 0.00 -1.26 -4.95 105.19 105.97 1u6f n GLY 127 Ca 0.16 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1u6f n GLY 127 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u6f n ILE 128 N -0.48 -8.88 -0.09 -0.61 -0.00 -1.26 -4.96 119.36 103.08 1u6f n ILE 128 Ca 0.42 -0.91 -0.09 0.00 -0.00 0.00 0.00 62.75 62.17 1u6f n ILE 128 Cb 1.36 -6.26 -0.13 0.00 -0.00 0.00 0.00 39.64 34.61 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1u6f n ALA 129 N -2.88 1.56 0.00 -1.39 0.00 -1.26 -5.12 120.51 111.43 1u6f n ALA 129 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1u6f n ALA 129 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 1.97 -0.17 1.44 0.00 0.00 -1.26 -5.09 105.19 102.09 1u6f n GLY 130 Ca -0.30 -1.60 0.18 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 0.18 -3.77 -0.05 4.61 0.00 -1.26 -4.83 120.51 115.40 1u6f n ALA 131 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 53.44 54.10 1u6f n ALA 131 Cb 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 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 -4.31 0.71 0.00 0.00 0.31 -1.26 -5.03 118.33 108.75 1u6f n VAL 132 Ca -0.04 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1u6f n VAL 132 Cb 0.67 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 2.40 2.75 3.32 2.92 0.00 -1.26 -5.01 105.19 110.32 1u6f n GLY 133 Ca -0.17 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1u6f n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u6f s ASP 134 N 0.50 1.47 0.00 1.61 1.11 -1.26 -5.03 116.67 115.08 1u6f s ASP 134 Ca 0.00 -1.69 0.00 0.00 0.18 0.00 0.00 52.55 51.04 1u6f s ASP 134 Cb 0.00 0.57 0.00 0.00 1.07 0.00 0.00 42.92 44.56 1u6f s ASP 134 CO 0.00 -1.10 0.00 0.61 1.18 0.00 0.00 175.17 175.86 1u6f n GLY 135 N -0.60 1.33 0.12 0.21 0.00 -1.26 -4.68 105.19 100.31 1u6f n GLY 135 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.59 0.00 -3.74 1.61 2.85 -1.26 -5.16 115.26 111.15 1u6f n ASN 136 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1u6f n ASN 136 Cb 0.00 0.03 -0.06 0.00 1.24 0.00 0.00 39.78 40.99 1u6f n ASN 136 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1u6f s GLY 137 N -1.28 -0.10 -0.10 8.20 0.00 -1.26 -5.16 107.32 107.61 1u6f s GLY 137 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.42 1u6f s GLY 137 CO 0.00 -0.50 -0.00 -0.19 0.00 0.00 0.00 173.10 172.40 1u6f s TYR 138 N -3.66 3.14 0.00 1.90 2.02 -1.26 -4.90 117.35 114.59 1u6f s TYR 138 Ca 0.03 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 1u6f s TYR 138 Cb 0.03 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1u6f s TYR 138 CO -0.10 0.38 0.00 1.28 -1.57 0.00 0.00 175.55 175.54