#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f h SER 2 N 0.00 0.29 -2.57 3.17 0.87 -2.04 -3.45 113.55 109.82 1u6f h SER 2 Ca 0.00 -0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1u6f h SER 2 Cb 0.00 -0.07 -0.29 0.00 -0.44 0.00 0.00 62.40 61.60 1u6f h SER 2 CO 0.00 0.21 0.56 -1.58 -0.53 0.00 0.00 176.83 175.48 1u6f s GLN 3 N -6.17 0.30 -0.54 2.24 -0.44 -1.26 -5.12 119.66 108.66 1u6f s GLN 3 Ca -0.13 0.44 -0.18 0.00 -2.50 0.00 0.00 55.36 52.98 1u6f s GLN 3 Cb 0.09 0.10 0.09 0.00 -1.64 0.00 0.00 33.01 31.65 1u6f s GLN 3 CO 0.70 -0.05 0.62 -1.50 0.50 0.00 0.00 175.29 175.56 1u6f s ILE 4 N 0.74 4.93 -0.86 -2.34 1.10 -1.26 -4.91 121.20 118.59 1u6f s ILE 4 Ca -0.02 -0.87 0.15 0.00 -0.51 0.00 0.00 60.65 59.39 1u6f s ILE 4 Cb -0.04 -4.36 0.14 0.00 0.15 0.00 0.00 42.46 38.34 1u6f s ILE 4 CO -0.12 -0.92 1.47 -0.81 -2.11 0.00 0.00 174.94 172.45 1u6f n PRO 5 N 6.03 0.05 -2.93 3.50 -0.04 -1.26 -4.87 135.00 135.48 1u6f n PRO 5 Ca -0.09 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 1u6f n PRO 5 Cb 0.43 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1u6f n PRO 5 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1u6f n LEU 6 N -1.68 -2.54 0.00 1.53 0.00 -1.26 -4.84 117.00 108.21 1u6f n LEU 6 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 56.01 55.78 1u6f n LEU 6 Cb 0.16 -2.33 0.00 0.00 0.00 0.00 0.00 43.42 41.25 1u6f n LEU 6 CO 0.13 0.25 0.00 0.52 0.00 0.00 0.00 177.39 178.29 1u6f n VAL 7 N -4.22 0.00 -4.28 1.96 0.31 -1.26 -5.15 118.33 105.69 1u6f n VAL 7 Ca -0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.10 1u6f n VAL 7 Cb 0.58 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 1u6f n VAL 7 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1u6f n SER 8 N -2.21 0.16 0.00 4.52 7.64 -1.26 -5.12 113.62 117.34 1u6f n SER 8 Ca 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1u6f n SER 8 Cb 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 1u6f n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6f n GLN 9 N -0.57 0.00 -2.95 1.43 1.13 -1.26 -4.71 117.38 110.45 1u6f n GLN 9 Ca 0.02 0.13 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1u6f n GLN 9 Cb 0.46 -0.50 0.00 0.00 0.11 0.00 0.00 30.24 30.31 1u6f n GLN 9 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1u6f s TYR 10 N -0.46 -1.65 0.02 1.08 5.04 -1.26 -4.96 117.35 115.15 1u6f s TYR 10 Ca 0.00 -0.23 -0.26 0.00 -2.44 0.00 0.00 57.07 54.14 1u6f s TYR 10 Cb 0.00 0.31 -0.14 0.00 0.35 0.00 0.00 41.96 42.48 1u6f s TYR 10 CO 0.00 -1.24 1.12 -0.44 -1.34 0.00 0.00 175.55 173.65 1u6f h ASP 11 N 5.84 -0.79 -3.82 4.32 3.32 -2.03 -3.44 116.42 119.82 1u6f h ASP 11 Ca 0.06 0.03 -0.51 0.00 0.02 0.00 0.00 57.03 56.62 1u6f h ASP 11 Cb 1.14 0.20 0.03 0.00 0.22 0.00 0.00 39.33 40.93 1u6f h ASP 11 CO 0.05 -0.44 0.53 -2.16 -1.72 0.00 0.00 179.24 175.50 1u6f s PRO 12 N -4.64 4.54 -0.26 3.56 0.04 -1.26 -5.03 135.00 131.95 1u6f s PRO 12 Ca -0.14 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1u6f s PRO 12 Cb 0.01 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1u6f s PRO 12 CO 0.41 0.08 -0.02 0.71 0.04 0.00 0.00 177.00 178.22 1u6f s TYR 13 N -1.13 3.10 -0.09 0.56 1.51 -1.26 -5.09 117.35 114.94 1u6f s TYR 13 Ca 0.46 -1.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 1u6f s TYR 13 Cb -0.35 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1u6f s TYR 13 CO 0.45 -0.69 -0.17 0.20 -1.11 0.00 0.00 175.55 174.23 1u6f s GLY 14 N 1.37 1.06 -0.44 0.71 0.00 -1.26 -5.08 107.32 103.68 1u6f s GLY 14 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1u6f s GLY 14 CO -0.02 0.04 0.24 -0.86 0.00 0.00 0.00 173.10 172.49 1u6f s GLN 15 N 0.71 1.26 0.00 2.90 -2.07 -1.26 -4.84 119.66 116.36 1u6f s GLN 15 Ca -0.12 -1.98 0.00 0.00 -1.82 0.00 0.00 55.36 51.43 1u6f s GLN 15 Cb -0.16 -2.30 0.00 0.00 -1.09 0.00 0.00 33.01 29.46 1u6f s GLN 15 CO 0.03 -1.16 0.00 -2.37 -1.32 0.00 0.00 175.29 170.46 1u6f n THR 16 N 3.56 0.00 -3.81 3.63 5.66 -1.26 -5.10 114.28 116.96 1u6f n THR 16 Ca 0.09 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.73 1u6f n THR 16 Cb 0.35 -0.05 -0.11 0.00 -1.55 0.00 0.00 70.33 68.97 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u6f s ALA 17 N -1.61 3.38 -0.18 1.79 0.00 -1.26 -5.07 121.76 118.81 1u6f s ALA 17 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 1u6f s ALA 17 Cb 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 21.07 1u6f s ALA 17 CO 0.00 -0.21 0.15 1.14 0.00 0.00 0.00 175.76 176.83 1u6f s GLN 18 N 1.11 0.11 -0.35 0.00 -2.07 -1.26 -5.11 119.66 112.09 1u6f s GLN 18 Ca 0.05 0.04 -0.05 0.00 -1.82 0.00 0.00 55.36 53.59 1u6f s GLN 18 Cb -0.14 -1.56 0.06 0.00 -1.09 0.00 0.00 33.01 30.28 1u6f s GLN 18 CO 0.04 -0.66 0.11 -0.51 -1.32 0.00 0.00 175.29 172.95 1u6f s LEU 19 N 2.22 4.43 0.00 2.60 1.43 -1.26 -4.62 118.68 123.48 1u6f s LEU 19 Ca 0.04 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 1u6f s LEU 19 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1u6f s LEU 19 CO -0.10 -0.36 0.00 0.00 0.23 0.00 0.00 176.35 176.11 1u6f n GLN 20 N 4.74 0.00 -0.05 1.70 10.64 -1.26 -5.00 117.38 128.16 1u6f n GLN 20 Ca -0.11 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.00 1u6f n GLN 20 Cb 0.44 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.76 1u6f n GLN 20 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1u6f n GLN 21 N -0.94 0.88 -0.74 2.61 7.27 -1.26 -5.12 117.38 120.07 1u6f n GLN 21 Ca 0.00 0.04 0.10 0.00 0.07 0.00 0.00 57.00 57.22 1u6f n GLN 21 Cb 0.00 -1.21 -0.03 0.00 2.41 0.00 0.00 30.24 31.41 1u6f n GLN 21 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1u6f n LEU 22 N -2.68 0.00 -2.45 1.69 4.77 -1.26 -5.02 117.00 112.05 1u6f n LEU 22 Ca -0.17 0.79 -0.04 0.00 -0.03 0.00 0.00 56.01 56.56 1u6f n LEU 22 Cb 0.72 -2.23 -0.04 0.00 -2.33 0.00 0.00 43.42 39.54 1u6f n LEU 22 CO 0.12 -2.11 -0.59 0.00 -1.33 0.00 0.00 177.39 173.49 1u6f n GLN 23 N -3.06 -4.38 -2.03 3.23 1.13 -1.26 -4.84 117.38 106.17 1u6f n GLN 23 Ca 0.01 3.30 -0.42 0.00 -1.94 0.00 0.00 57.00 57.94 1u6f n GLN 23 Cb 0.34 -4.68 -0.03 0.00 0.11 0.00 0.00 30.24 25.98 1u6f n GLN 23 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1u6f s GLN 24 N -0.71 4.13 0.54 -1.09 0.74 -1.26 -4.77 119.66 117.24 1u6f s GLN 24 Ca -0.22 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.31 1u6f s GLN 24 Cb 0.01 -3.99 0.00 0.00 1.10 0.00 0.00 33.01 30.14 1u6f s GLN 24 CO 0.58 -0.90 0.00 1.04 -0.55 0.00 0.00 175.29 175.46 1u6f n GLN 25 N 7.18 -2.55 -2.92 1.67 3.00 -1.26 -4.91 117.38 117.59 1u6f n GLN 25 Ca 0.17 1.68 -0.20 0.00 -0.01 0.00 0.00 57.00 58.65 1u6f n GLN 25 Cb 0.43 -3.11 0.05 0.00 0.00 0.00 0.00 30.24 27.61 1u6f n GLN 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1u6f s GLN 26 N -1.95 2.37 -0.31 -1.09 2.00 -1.26 -5.06 119.66 114.36 1u6f s GLN 26 Ca 0.00 -1.36 -0.25 0.00 -2.00 0.00 0.00 55.36 51.75 1u6f s GLN 26 Cb 0.00 -2.61 0.00 0.00 0.80 0.00 0.00 33.01 31.20 1u6f s GLN 26 CO 0.00 -0.78 0.86 -1.14 -0.50 0.00 0.00 175.29 173.73 1u6f s GLN 27 N -4.67 3.99 -1.63 1.67 0.74 -1.26 -3.78 119.66 114.72 1u6f s GLN 27 Ca 0.60 0.72 -0.03 0.00 0.05 0.00 0.00 55.36 56.70 1u6f s GLN 27 Cb -0.07 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1u6f s GLN 27 CO 0.38 -0.73 0.41 1.04 -0.55 0.00 0.00 175.29 175.84 1u6f n GLN 28 N 6.36 -3.83 0.00 1.67 1.13 -1.26 -4.71 117.38 116.74 1u6f n GLN 28 Ca 0.06 0.95 0.00 0.00 -1.94 0.00 0.00 57.00 56.06 1u6f n GLN 28 Cb 0.48 -5.73 0.00 0.00 0.11 0.00 0.00 30.24 25.09 1u6f n GLN 28 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1u6f n HIS 29 N -4.36 -1.85 -3.29 1.08 -0.00 -1.25 -4.51 115.22 101.06 1u6f n HIS 29 Ca -0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.30 1u6f n HIS 29 Cb 0.64 0.28 -0.07 0.00 -0.00 0.00 0.00 29.99 30.84 1u6f n HIS 29 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1u6f n ILE 30 N -1.70 1.50 -1.23 3.57 5.41 -1.26 -4.90 119.36 120.75 1u6f n ILE 30 Ca 0.00 -4.91 -0.29 0.00 1.00 0.00 0.00 62.75 58.54 1u6f n ILE 30 Cb 0.00 -1.87 0.15 0.00 -0.71 0.00 0.00 39.64 37.21 1u6f n ILE 30 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1u6f s PRO 31 N -2.26 0.91 -0.60 0.38 0.04 -1.26 -4.85 135.00 127.36 1u6f s PRO 31 Ca 0.40 0.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 1u6f s PRO 31 Cb 0.18 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 1u6f s PRO 31 CO -0.06 -2.43 1.75 -2.30 0.04 0.00 0.00 177.00 174.00 1u6f n PRO 32 N -3.98 1.34 0.00 0.56 -0.02 -1.26 -4.70 135.00 126.94 1u6f n PRO 32 Ca 0.06 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1u6f n PRO 32 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1u6f n PRO 32 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1u6f n THR 33 N 4.73 0.00 -3.58 3.45 -1.04 -1.26 -4.32 114.28 112.26 1u6f n THR 33 Ca 0.32 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.05 1u6f n THR 33 Cb 0.13 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.49 1u6f n THR 33 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1u6f s GLN 34 N 0.00 0.18 -0.09 -2.82 -0.21 -1.26 -4.97 119.66 110.49 1u6f s GLN 34 Ca 0.00 -0.40 0.08 0.00 0.02 0.00 0.00 55.36 55.06 1u6f s GLN 34 Cb 0.00 -1.45 -0.11 0.00 1.00 0.00 0.00 33.01 32.45 1u6f s GLN 34 CO 0.00 -0.89 0.02 -0.12 -2.12 0.00 0.00 175.29 172.18 1u6f n MET 35 N 5.24 2.35 0.03 2.91 1.56 -1.26 -5.04 117.12 122.91 1u6f n MET 35 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 1u6f n MET 35 Cb 0.44 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.58 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1u6f n ASN 36 N -2.37 -0.51 -4.58 6.12 3.02 -1.26 -5.06 115.26 110.62 1u6f n ASN 36 Ca -0.15 0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 54.55 1u6f n ASN 36 Cb 0.79 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 40.76 1u6f n ASN 36 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1u6f s PRO 37 N -1.83 2.78 0.33 3.52 0.04 -1.26 -4.95 135.00 133.63 1u6f s PRO 37 Ca 0.00 -1.23 -0.26 0.00 0.04 0.00 0.00 61.00 59.55 1u6f s PRO 37 Cb 0.00 -5.28 -0.10 0.00 0.04 0.00 0.00 34.50 29.16 1u6f s PRO 37 CO 0.00 -3.60 0.95 -1.21 0.04 0.00 0.00 177.00 173.18 1u6f s GLU 38 N 6.10 4.55 0.23 4.56 2.02 -1.26 -4.96 118.70 129.95 1u6f s GLU 38 Ca 0.66 1.31 0.25 0.00 0.02 0.00 0.00 54.97 57.21 1u6f s GLU 38 Cb -0.00 -2.75 0.91 0.00 0.10 0.00 0.00 34.13 32.39 1u6f s GLU 38 CO 0.11 0.25 1.74 -0.35 0.02 0.00 0.00 175.26 177.03 1u6f n PRO 39 N 0.46 0.22 0.07 0.39 -0.04 -1.26 -3.00 135.00 131.84 1u6f n PRO 39 Ca 0.02 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 1u6f n PRO 39 Cb 0.50 -1.84 0.39 0.00 -0.04 0.00 0.00 33.50 32.51 1u6f n PRO 39 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1u6f n ASP 40 N -2.24 0.35 -2.20 3.54 8.00 -1.26 -3.22 116.55 119.52 1u6f n ASP 40 Ca 0.04 0.60 -0.23 0.00 0.71 0.00 0.00 54.79 55.91 1u6f n ASP 40 Cb 0.32 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1u6f n ASP 40 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1u6f n VAL 41 N -1.90 3.09 -0.01 2.53 0.24 -1.16 -4.24 118.33 116.89 1u6f n VAL 41 Ca 0.02 -2.36 -0.02 0.00 -2.04 0.00 0.00 64.34 59.94 1u6f n VAL 41 Cb 0.17 -1.45 -0.12 0.00 -1.47 0.00 0.00 33.84 30.98 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 0.51 0.57 0.00 1.34 4.77 -1.20 -4.03 117.00 118.97 1u6f n LEU 42 Ca 0.41 0.25 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1u6f n LEU 42 Cb 0.57 0.17 0.29 0.00 -2.33 0.00 0.00 43.42 42.11 1u6f n LEU 42 CO 0.38 0.22 0.67 -2.11 -1.33 0.00 0.00 177.39 175.23 1u6f n ARG 43 N -2.79 0.09 -2.33 3.23 0.00 -1.26 -4.60 116.66 109.00 1u6f n ARG 43 Ca -0.15 0.23 -0.42 0.00 -0.00 0.00 0.00 57.85 57.51 1u6f n ARG 43 Cb 0.89 -1.50 -0.03 0.00 -0.00 0.00 0.00 32.46 31.83 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 -2.77 6.08 -0.23 2.89 3.04 -1.26 -0.63 114.94 122.06 1u6f s ASN 44 Ca 0.09 0.45 -0.05 0.00 0.04 0.00 0.00 52.86 53.39 1u6f s ASN 44 Cb 0.08 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.23 1u6f s ASN 44 CO 0.20 -1.71 -0.00 -0.76 -3.04 0.00 0.00 177.10 171.79 1u6f s LEU 45 N 6.24 3.11 -0.38 3.21 2.01 -0.60 -2.03 118.68 130.25 1u6f s LEU 45 Ca 0.57 -0.31 -0.20 0.00 0.01 0.00 0.00 54.13 54.19 1u6f s LEU 45 Cb -0.12 -1.81 0.01 0.00 0.01 0.00 0.00 46.19 44.28 1u6f s LEU 45 CO 0.27 -0.02 0.63 -0.32 1.01 0.00 0.00 176.35 177.92 1u6f s MET 46 N 1.47 3.58 -0.13 1.70 -2.45 0.40 0.41 119.30 124.28 1u6f s MET 46 Ca 0.05 -0.06 -0.06 0.00 -1.25 0.00 0.00 55.69 54.37 1u6f s MET 46 Cb -0.15 -3.84 -0.04 0.00 1.25 0.00 0.00 34.83 32.05 1u6f s MET 46 CO -0.00 -0.80 0.09 0.14 1.05 0.00 0.00 175.02 175.49 1u6f s VAL 47 N 2.73 5.05 -0.08 10.11 -7.23 0.07 0.71 120.40 131.75 1u6f s VAL 47 Ca 0.24 0.04 -0.13 0.00 -1.81 0.00 0.00 61.98 60.32 1u6f s VAL 47 Cb -0.14 -3.21 0.03 0.00 0.56 0.00 0.00 36.38 33.62 1u6f s VAL 47 CO 0.16 0.56 0.32 0.21 -0.31 0.00 0.00 175.10 176.04 1u6f s ASN 48 N -0.56 -0.28 0.13 4.85 2.47 0.75 0.83 114.94 123.14 1u6f s ASN 48 Ca 0.11 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.83 1u6f s ASN 48 Cb -0.12 0.54 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 1u6f s ASN 48 CO 0.02 -0.24 0.00 0.00 -3.72 0.00 0.00 177.10 173.16 1u6f n TYR 49 N 2.27 -2.64 -4.08 0.43 9.36 -1.26 -2.09 117.16 119.15 1u6f n TYR 49 Ca -0.16 0.44 -0.22 0.00 3.32 0.00 0.00 57.90 61.28 1u6f n TYR 49 Cb 0.57 1.37 -0.04 0.00 -0.63 0.00 0.00 39.34 40.61 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 -1.37 4.64 0.00 2.97 -4.36 -1.26 -5.04 121.20 116.78 1u6f s ILE 50 Ca 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1u6f s ILE 50 Cb 0.00 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1u6f s ILE 50 CO 0.00 -0.31 0.00 -0.81 0.24 0.00 0.00 174.94 174.06 1u6f n PRO 51 N -1.11 0.00 0.00 0.37 -0.04 -1.26 -3.92 135.00 129.05 1u6f n PRO 51 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1u6f n PRO 51 Cb 0.57 -0.15 0.69 0.00 -0.04 0.00 0.00 33.50 34.57 1u6f n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u6f n THR 52 N -0.38 0.11 0.54 0.52 -2.24 -1.26 -2.92 114.28 108.65 1u6f n THR 52 Ca 0.00 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 1u6f n THR 52 Cb 0.00 -0.58 0.14 0.00 -2.10 0.00 0.00 70.33 67.80 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u6f n THR 53 N -1.29 0.27 -2.08 4.28 -1.04 -1.26 -4.90 114.28 108.26 1u6f n THR 53 Ca 0.13 -0.64 -0.43 0.00 -2.04 0.00 0.00 64.05 61.07 1u6f n THR 53 Cb 0.22 1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 69.88 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 -1.54 3.60 -0.14 12.58 0.11 -1.15 -4.90 120.40 128.97 1u6f s VAL 54 Ca 0.30 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1u6f s VAL 54 Cb 0.19 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.29 1u6f s VAL 54 CO 0.27 -0.42 -0.14 -1.81 -3.33 0.00 0.00 175.10 169.67 1u6f s ASP 55 N 5.17 3.87 0.61 3.54 1.11 -1.26 -4.86 116.67 124.85 1u6f s ASP 55 Ca 0.75 -0.38 0.35 0.00 0.18 0.00 0.00 52.55 53.44 1u6f s ASP 55 Cb -0.22 -1.59 2.00 0.00 1.07 0.00 0.00 42.92 44.18 1u6f s ASP 55 CO 0.32 0.14 2.28 1.05 1.18 0.00 0.00 175.17 180.15 1u6f h GLU 56 N 6.88 0.00 0.34 8.23 4.11 -1.96 -2.47 114.58 129.71 1u6f h GLU 56 Ca -0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 1u6f h GLU 56 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1u6f h GLU 56 CO 0.55 0.01 -0.16 0.28 0.07 0.00 0.00 179.01 179.76 1u6f h VAL 57 N 0.00 0.47 -0.92 -1.06 2.07 -1.97 1.00 116.25 115.83 1u6f h VAL 57 Ca -0.00 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 66.89 1u6f h VAL 57 Cb 0.03 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 1u6f h VAL 57 CO 0.00 0.10 0.60 -0.61 0.02 0.00 0.00 177.57 177.68 1u6f h GLN 58 N -0.96 0.92 0.00 1.57 5.75 -1.93 0.31 115.11 120.77 1u6f h GLN 58 Ca -0.05 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.36 1u6f h GLN 58 Cb 0.52 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 1u6f h GLN 58 CO 0.08 0.61 -0.17 -0.07 -2.65 0.00 0.00 178.83 176.63 1u6f h LEU 59 N 0.95 0.00 0.32 -2.39 3.38 -1.44 -1.90 115.31 114.22 1u6f h LEU 59 Ca 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1u6f h LEU 59 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1u6f h LEU 59 CO -0.19 0.17 -0.16 -0.09 0.09 0.00 0.00 178.44 178.26 1u6f h ARG 60 N 0.00 -0.42 -0.16 1.13 1.12 0.48 -0.16 114.38 116.37 1u6f h ARG 60 Ca -0.00 0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.72 1u6f h ARG 60 Cb 1.05 0.09 0.01 0.00 -0.01 0.00 0.00 29.97 31.11 1u6f h ARG 60 CO 0.02 -0.09 -0.61 1.96 -3.11 0.00 0.00 179.97 178.15 1u6f h GLN 61 N -0.88 0.70 -0.16 0.20 4.20 -1.32 0.20 115.11 118.05 1u6f h GLN 61 Ca -0.04 -0.53 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 1u6f h GLN 61 Cb 0.52 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1u6f h GLN 61 CO 0.07 1.15 0.09 1.25 -0.67 0.00 0.00 178.83 180.72 1u6f h LEU 62 N 0.39 0.21 0.07 1.46 5.85 -1.44 -2.06 115.31 119.79 1u6f h LEU 62 Ca -0.03 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 1u6f h LEU 62 Cb 1.24 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1u6f h LEU 62 CO 0.13 0.23 -1.00 -0.26 -0.34 0.00 0.00 178.44 177.21 1u6f h PHE 63 N 0.16 0.26 -0.12 1.25 0.04 -1.09 -3.33 116.94 114.10 1u6f h PHE 63 Ca 0.06 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.68 1u6f h PHE 63 Cb 0.08 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1u6f h PHE 63 CO -0.04 1.39 0.17 1.05 -0.60 0.00 0.00 178.31 180.28 1u6f h GLU 64 N -0.62 0.00 -0.25 1.51 4.11 -0.68 -1.96 114.58 116.68 1u6f h GLU 64 Ca -0.23 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.24 1u6f h GLU 64 Cb 1.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 1u6f h GLU 64 CO -0.00 0.00 0.04 0.07 0.07 0.00 0.00 179.01 179.18 1u6f h ARG 65 N 0.00 0.13 -0.00 1.06 0.11 -1.48 -0.58 114.38 113.62 1u6f h ARG 65 Ca 0.06 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1u6f h ARG 65 Cb 0.40 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1u6f h ARG 65 CO -0.00 0.08 -0.26 0.66 0.10 0.00 0.00 179.97 180.55 1u6f n TYR 66 N -5.10 0.00 -3.01 4.08 4.01 -0.80 -4.70 117.16 111.64 1u6f n TYR 66 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 1u6f n TYR 66 Cb 0.11 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.89 -1.30 -0.25 2.72 0.00 -0.70 -4.72 107.32 100.19 1u6f s GLY 67 Ca 0.16 1.22 -0.42 0.00 0.00 0.00 0.00 44.72 45.68 1u6f s GLY 67 CO 0.60 4.04 1.53 -1.05 0.00 0.00 0.00 173.10 178.21 1u6f n PRO 68 N 4.42 0.60 -2.82 2.90 -0.02 -0.31 -3.95 135.00 135.82 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 0.59 -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 2.32 4.28 -0.24 4.25 -4.36 -1.26 -0.83 121.20 125.36 1u6f s ILE 69 Ca 0.97 1.70 -0.03 0.00 -0.26 0.00 0.00 60.65 63.03 1u6f s ILE 69 Cb -1.22 -3.91 -0.14 0.00 1.25 0.00 0.00 42.46 38.44 1u6f s ILE 69 CO 0.67 0.05 -0.24 -0.62 0.24 0.00 0.00 174.94 175.03 1u6f n GLU 70 N 0.32 0.57 -3.58 0.37 -0.58 0.31 -4.71 120.64 113.34 1u6f n GLU 70 Ca 0.03 0.17 -0.27 0.00 -0.42 0.00 0.00 57.16 56.66 1u6f n GLU 70 Cb 0.51 -1.45 -0.16 0.00 -0.57 0.00 0.00 31.44 29.77 1u6f n GLU 70 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1u6f s SER 71 N -6.59 2.83 -0.08 1.62 0.15 -1.06 -5.03 113.70 105.54 1u6f s SER 71 Ca -0.33 -0.89 -0.01 0.00 0.70 0.00 0.00 55.95 55.43 1u6f s SER 71 Cb 0.10 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1u6f s SER 71 CO 0.51 -0.39 -0.04 0.54 1.20 0.00 0.00 173.24 175.06 1u6f s VAL 72 N 2.12 3.93 0.03 4.45 0.11 -1.26 -1.05 120.40 128.73 1u6f s VAL 72 Ca 0.05 -0.39 -0.22 0.00 -2.93 0.00 0.00 61.98 58.49 1u6f s VAL 72 Cb -0.16 -2.63 0.05 0.00 -1.53 0.00 0.00 36.38 32.11 1u6f s VAL 72 CO -0.20 0.59 0.51 -0.75 -3.33 0.00 0.00 175.10 171.92 1u6f s LYS 73 N -0.71 1.00 -0.08 1.54 2.20 0.56 -4.99 119.74 119.26 1u6f s LYS 73 Ca 0.11 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1u6f s LYS 73 Cb -0.11 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1u6f s LYS 73 CO 0.02 -0.35 0.05 0.42 -0.36 0.00 0.00 175.35 175.13 1u6f s ILE 74 N -2.23 4.70 -0.84 5.43 1.01 -1.26 0.24 121.20 128.25 1u6f s ILE 74 Ca -0.06 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.19 1u6f s ILE 74 Cb -0.01 -3.03 0.07 0.00 0.01 0.00 0.00 42.46 39.50 1u6f s ILE 74 CO -0.00 0.56 1.21 -0.69 0.00 0.00 0.00 174.94 176.01 1u6f s VAL 75 N -0.98 4.17 0.86 2.92 1.01 0.51 -4.85 120.40 124.03 1u6f s VAL 75 Ca 0.16 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1u6f s VAL 75 Cb -0.12 -4.86 0.11 0.00 0.00 0.00 0.00 36.38 31.51 1u6f s VAL 75 CO 0.05 -1.69 1.17 0.00 0.00 0.00 0.00 175.10 174.63 1u6f s ASP 77 N -4.42 6.77 0.00 0.00 -1.08 -0.68 -4.84 116.67 112.42 1u6f s ASP 77 Ca 0.63 0.93 0.17 0.00 -0.52 0.00 0.00 52.55 53.77 1u6f s ASP 77 Cb -0.12 -2.37 0.75 0.00 -1.46 0.00 0.00 42.92 39.72 1u6f s ASP 77 CO 0.51 -0.25 1.55 -2.11 0.52 0.00 0.00 175.17 175.38 1u6f n ARG 78 N 4.82 0.03 0.01 4.34 1.85 -1.26 0.38 116.66 126.82 1u6f n ARG 78 Ca -0.01 0.20 -0.13 0.00 -1.00 0.00 0.00 57.85 56.91 1u6f n ARG 78 Cb 0.50 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.31 1u6f n ARG 78 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1u6f h GLU 79 N 0.00 -0.07 -0.06 2.89 4.81 -1.96 -3.35 114.58 116.84 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u6f h GLU 79 Cb 0.28 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1u6f h GLU 79 CO 0.00 0.42 0.00 2.41 -0.73 0.00 0.00 179.01 181.11 1u6f n THR 80 N -4.88 0.52 -3.00 0.32 -1.04 -1.21 -4.98 114.28 100.00 1u6f n THR 80 Ca -0.09 -0.76 -0.21 0.00 -2.04 0.00 0.00 64.05 60.96 1u6f n THR 80 Cb 0.27 0.78 0.01 0.00 -1.82 0.00 0.00 70.33 69.56 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 -3.53 -4.21 -2.82 5.12 0.16 -4.96 116.66 106.43 1u6f n ARG 81 Ca 0.03 0.67 -0.25 0.00 -1.93 0.00 0.00 57.85 56.38 1u6f n ARG 81 Cb 0.20 -5.41 -0.07 0.00 -1.16 0.00 0.00 32.46 26.03 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 -5.65 2.47 -0.17 5.56 -1.52 -1.17 -4.90 119.66 114.29 1u6f s GLN 82 Ca 0.26 -1.18 -0.29 0.00 -1.95 0.00 0.00 55.36 52.20 1u6f s GLN 82 Cb -0.13 -2.34 -0.05 0.00 -0.22 0.00 0.00 33.01 30.27 1u6f s GLN 82 CO 0.32 0.42 1.88 0.45 -0.25 0.00 0.00 175.29 178.11 1u6f s SER 83 N -3.31 6.11 0.00 5.90 0.15 -1.26 -1.68 113.70 119.61 1u6f s SER 83 Ca 0.30 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.87 1u6f s SER 83 Cb -0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1u6f s SER 83 CO 0.20 -1.43 0.00 -1.14 1.20 0.00 0.00 173.24 172.07 1u6f n ARG 84 N 7.98 0.00 0.00 5.44 0.63 -1.26 -4.47 116.66 124.98 1u6f n ARG 84 Ca 0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1u6f n ARG 84 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 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 0.96 3.83 5.14 0.00 -1.24 -3.90 105.19 109.97 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 0.33 1.61 -0.85 -1.08 -4.57 117.35 112.79 1u6f s TYR 86 Ca 0.00 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 1u6f s TYR 86 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.98 1u6f s TYR 86 CO 0.00 -0.62 0.14 0.41 -1.52 0.00 0.00 175.55 173.96 1u6f n GLY 87 N -0.66 3.27 3.14 5.49 0.00 0.24 0.19 105.19 116.87 1u6f n GLY 87 Ca -0.03 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.89 -0.23 -0.18 1.61 2.19 0.67 -0.75 117.98 119.40 1u6f s PHE 88 Ca 0.11 0.55 -0.05 0.00 0.33 0.00 0.00 56.93 57.87 1u6f s PHE 88 Cb -0.01 0.08 0.06 0.00 -1.31 0.00 0.00 43.02 41.84 1u6f s PHE 88 CO 0.07 -0.18 0.10 0.14 1.83 0.00 0.00 175.22 177.18 1u6f s VAL 89 N -0.17 -0.10 -0.45 3.12 -7.23 0.17 -0.32 120.40 115.40 1u6f s VAL 89 Ca -0.03 -0.18 -0.22 0.00 -1.81 0.00 0.00 61.98 59.74 1u6f s VAL 89 Cb -0.03 -0.59 0.03 0.00 0.56 0.00 0.00 36.38 36.34 1u6f s VAL 89 CO 0.01 -0.29 0.74 -0.75 -0.31 0.00 0.00 175.10 174.50 1u6f s LYS 90 N 2.15 3.36 0.60 4.82 2.20 -0.22 -1.56 119.74 131.09 1u6f s LYS 90 Ca 0.03 -0.21 -0.17 0.00 -0.36 0.00 0.00 55.97 55.25 1u6f s LYS 90 Cb -0.16 -3.95 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1u6f s LYS 90 CO -0.10 -1.10 1.11 -0.06 -0.36 0.00 0.00 175.35 174.84 1u6f s PHE 91 N 3.16 2.69 0.18 4.03 0.40 0.20 0.11 117.98 128.74 1u6f s PHE 91 Ca 0.27 1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 58.00 1u6f s PHE 91 Cb -0.13 -3.20 0.15 0.00 0.51 0.00 0.00 43.02 40.35 1u6f s PHE 91 CO 0.21 -1.56 1.67 1.96 0.70 0.00 0.00 175.22 178.21 1u6f h GLN 92 N 0.63 0.06 -5.39 0.44 4.20 -1.26 -3.41 115.11 110.38 1u6f h GLN 92 Ca -0.48 -0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.76 1u6f h GLN 92 Cb 1.25 -0.01 -0.26 0.00 0.30 0.00 0.00 27.48 28.76 1u6f h GLN 92 CO 0.56 0.04 -0.80 -1.12 -0.67 0.00 0.00 178.83 176.84 1u6f s SER 93 N -5.24 1.74 0.58 1.46 0.01 -1.26 -4.95 113.70 106.03 1u6f s SER 93 Ca -0.14 -0.43 0.29 0.00 1.31 0.00 0.00 55.95 56.99 1u6f s SER 93 Cb 0.15 -0.13 1.46 0.00 0.21 0.00 0.00 66.02 67.71 1u6f s SER 93 CO 0.72 0.07 1.88 1.23 0.41 0.00 0.00 173.24 177.54 1u6f h GLY 94 N 5.08 0.00 2.00 3.44 0.00 -1.82 0.65 103.07 112.42 1u6f h GLY 94 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1u6f h GLY 94 CO 0.45 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.70 1u6f h SER 95 N 0.00 0.00 0.82 0.19 0.02 -1.95 -1.34 113.55 111.30 1u6f h SER 95 Ca 0.26 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.01 1u6f h SER 95 Cb 1.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 1u6f h SER 95 CO -0.00 0.04 -0.93 -1.28 -1.14 0.00 0.00 176.83 173.52 1u6f h SER 96 N 0.00 0.09 -0.79 3.07 0.87 -0.06 -3.26 113.55 113.47 1u6f h SER 96 Ca -0.00 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1u6f h SER 96 Cb 0.19 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 1u6f h SER 96 CO 0.01 0.97 0.48 0.00 -0.53 0.00 0.00 176.83 177.76 1u6f h ALA 97 N 1.02 1.08 -0.93 6.23 0.00 -1.28 -0.75 119.26 124.63 1u6f h ALA 97 Ca -0.03 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1u6f h ALA 97 Cb 1.62 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 1u6f h ALA 97 CO 0.13 0.23 0.59 1.96 0.00 0.00 0.00 179.25 182.15 1u6f h GLN 98 N 0.90 0.72 0.00 0.00 1.08 -1.59 0.36 115.11 116.57 1u6f h GLN 98 Ca 0.34 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.33 1u6f h GLN 98 Cb 0.14 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1u6f h GLN 98 CO -0.16 0.48 -0.82 1.96 -0.95 0.00 0.00 178.83 179.34 1u6f h GLN 99 N 0.74 0.00 0.26 1.46 4.20 -1.35 -1.52 115.11 118.90 1u6f h GLN 99 Ca 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.17 1u6f h GLN 99 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1u6f h GLN 99 CO -0.23 0.82 -0.13 0.00 -0.67 0.00 0.00 178.83 178.62 1u6f h ALA 100 N 1.18 -0.35 0.00 3.87 0.00 0.69 -1.12 119.26 123.53 1u6f h ALA 100 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1u6f h ALA 100 Cb 1.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1u6f h ALA 100 CO 0.11 -0.44 -0.17 0.82 0.00 0.00 0.00 179.25 179.57 1u6f h ILE 101 N -0.87 0.74 -0.06 0.00 2.04 -0.55 1.12 117.51 119.93 1u6f h ILE 101 Ca -0.04 -0.68 -0.15 0.00 1.00 0.00 0.00 64.86 65.00 1u6f h ILE 101 Cb 0.51 1.41 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1u6f h ILE 101 CO 0.06 0.16 -0.53 0.00 0.00 0.00 0.00 178.15 177.84 1u6f h ALA 102 N 1.83 0.15 0.00 1.87 0.00 -1.23 -3.34 119.26 118.54 1u6f h ALA 102 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1u6f h ALA 102 Cb 0.40 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1u6f h ALA 102 CO 0.02 0.36 -0.48 0.41 0.00 0.00 0.00 179.25 179.56 1u6f n GLY 103 N 0.84 2.59 0.00 0.00 0.00 -0.43 -4.82 105.19 103.36 1u6f n GLY 103 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.47 0.00 -4.67 0.99 4.77 0.38 -4.84 117.00 113.16 1u6f n LEU 104 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1u6f n LEU 104 Cb 0.78 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 1u6f n LEU 104 CO -0.01 0.00 1.28 0.21 -1.33 0.00 0.00 177.39 177.53 1u6f s ASN 105 N -1.40 6.73 -0.85 -1.43 2.47 -0.58 -1.84 114.94 118.04 1u6f s ASN 105 Ca 0.00 2.17 0.00 0.00 0.42 0.00 0.00 52.86 55.45 1u6f s ASN 105 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1u6f s ASN 105 CO 0.00 -0.86 0.00 0.61 -3.72 0.00 0.00 177.10 173.13 1u6f n GLY 106 N 3.95 0.89 3.48 1.21 0.00 0.58 -4.83 105.19 110.48 1u6f n GLY 106 Ca 0.16 -0.19 -0.14 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 -2.46 0.69 -1.94 1.61 7.35 -0.77 -4.54 117.46 117.40 1u6f n PHE 107 Ca -0.08 -0.04 -0.24 0.00 -0.76 0.00 0.00 57.45 56.32 1u6f n PHE 107 Cb 0.42 -1.86 -0.07 0.00 0.35 0.00 0.00 39.48 38.32 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 6.45 4.67 0.69 -2.13 4.22 -1.26 -1.82 114.94 125.76 1u6f s ASN 108 Ca 0.88 -1.16 -0.11 0.00 -2.14 0.00 0.00 52.86 50.33 1u6f s ASN 108 Cb -0.26 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.69 1u6f s ASN 108 CO 0.21 -3.37 1.06 -0.51 -2.04 0.00 0.00 177.10 172.45 1u6f s ILE 109 N 12.19 3.99 0.44 0.54 2.07 0.31 -4.93 121.20 135.82 1u6f s ILE 109 Ca 0.73 0.64 0.23 0.00 -1.41 0.00 0.00 60.65 60.85 1u6f s ILE 109 Cb -0.04 -3.53 0.43 0.00 0.13 0.00 0.00 42.46 39.45 1u6f s ILE 109 CO 0.10 -0.84 1.80 -0.07 -1.91 0.00 0.00 174.94 174.02 1u6f h LEU 110 N -0.63 0.30 -0.20 8.50 3.38 -2.04 -2.83 115.31 121.79 1u6f h LEU 110 Ca -0.45 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1u6f h LEU 110 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1u6f h LEU 110 CO 0.61 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.79 1u6f n ASN 111 N -4.49 0.20 -4.13 -0.43 4.13 -1.26 -5.08 115.26 104.21 1u6f n ASN 111 Ca 0.24 -0.60 -0.11 0.00 1.68 0.00 0.00 54.58 55.80 1u6f n ASN 111 Cb 0.94 0.78 -0.09 0.00 -1.54 0.00 0.00 39.78 39.87 1u6f n ASN 111 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1u6f s LYS 112 N -0.78 1.16 -0.19 3.52 1.02 -1.07 -5.14 119.74 118.27 1u6f s LYS 112 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.52 1u6f s LYS 112 Cb 0.00 0.30 0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1u6f s LYS 112 CO 0.00 -0.39 -0.07 0.50 -0.92 0.00 0.00 175.35 174.47 1u6f s ARG 113 N -4.09 1.69 -1.09 1.68 6.06 -1.26 0.11 118.95 122.06 1u6f s ARG 113 Ca 0.30 -0.69 -0.18 0.00 -2.50 0.00 0.00 55.73 52.66 1u6f s ARG 113 Cb 0.06 -2.23 0.11 0.00 0.06 0.00 0.00 34.95 32.95 1u6f s ARG 113 CO 0.07 -0.44 1.40 -0.51 -2.50 0.00 0.00 175.30 173.32 1u6f s LEU 114 N 1.52 4.44 -0.26 -0.88 1.02 -0.75 -4.57 118.68 119.20 1u6f s LEU 114 Ca -0.01 -2.22 -0.28 0.00 0.02 0.00 0.00 54.13 51.65 1u6f s LEU 114 Cb -0.16 -2.48 0.01 0.00 0.02 0.00 0.00 46.19 43.58 1u6f s LEU 114 CO -0.08 -1.11 1.00 -0.75 0.02 0.00 0.00 176.35 175.43 1u6f s LYS 115 N 3.26 4.19 -0.09 1.70 2.20 -0.89 0.22 119.74 130.32 1u6f s LYS 115 Ca 0.43 1.19 0.01 0.00 -0.36 0.00 0.00 55.97 57.23 1u6f s LYS 115 Cb -0.01 -3.67 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1u6f s LYS 115 CO -0.04 -0.68 -0.09 0.08 -0.36 0.00 0.00 175.35 174.26 1u6f s VAL 116 N 3.24 1.05 -0.04 4.02 1.01 -1.25 -0.18 120.40 128.25 1u6f s VAL 116 Ca 0.42 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1u6f s VAL 116 Cb -0.14 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1u6f s VAL 116 CO 0.09 0.36 -0.11 0.00 0.00 0.00 0.00 175.10 175.44 1u6f s ALA 117 N 1.31 1.07 0.48 5.51 0.00 0.22 -4.70 121.76 125.64 1u6f s ALA 117 Ca -0.03 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 1u6f s ALA 117 Cb -0.14 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 1u6f s ALA 117 CO -0.04 0.13 1.34 -0.51 0.00 0.00 0.00 175.76 176.68 1u6f s LEU 118 N 0.44 4.02 0.13 0.00 2.01 -1.26 0.15 118.68 124.17 1u6f s LEU 118 Ca -0.09 2.71 0.09 0.00 0.01 0.00 0.00 54.13 56.86 1u6f s LEU 118 Cb -0.12 -4.11 -0.16 0.00 0.01 0.00 0.00 46.19 41.81 1u6f s LEU 118 CO 0.02 -1.22 1.22 0.00 1.01 0.00 0.00 176.35 177.37 1u6f h ALA 119 N 2.02 0.47 -2.08 4.21 0.00 -1.70 -3.45 119.26 118.73 1u6f h ALA 119 Ca -0.50 -0.90 -0.50 0.00 0.00 0.00 0.00 54.91 53.01 1u6f h ALA 119 Cb 1.27 -0.05 0.22 0.00 0.00 0.00 0.00 17.79 19.23 1u6f h ALA 119 CO 0.60 1.17 -0.49 0.00 0.00 0.00 0.00 179.25 180.53 1u6f n ALA 120 N -2.35 -2.66 -3.90 0.00 0.00 -1.26 -4.99 120.51 105.35 1u6f n ALA 120 Ca -0.02 -0.80 -0.33 0.00 0.00 0.00 0.00 53.44 52.28 1u6f n ALA 120 Cb 0.91 -1.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.13 4.58 0.00 0.00 0.01 -1.26 -5.05 113.70 109.86 1u6f s SER 121 Ca 0.60 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1u6f s SER 121 Cb -0.20 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1u6f s SER 121 CO 0.65 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1u6f n GLY 122 N 4.52 -0.21 3.53 3.44 0.00 -1.26 -5.01 105.19 110.20 1u6f n GLY 122 Ca -0.14 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 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 8.36 -2.56 -1.25 1.61 -0.00 -1.26 -4.90 115.22 115.23 1u6f n HIS 123 Ca 0.00 0.98 -0.30 0.00 -0.00 0.00 0.00 57.72 58.40 1u6f n HIS 123 Cb 0.00 -5.04 0.06 0.00 -0.00 0.00 0.00 29.99 25.01 1u6f n HIS 123 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1u6f n GLN 124 N -4.61 2.42 0.17 1.57 7.27 -1.26 -4.61 117.38 118.34 1u6f n GLN 124 Ca -0.13 -2.76 -0.08 0.00 0.07 0.00 0.00 57.00 54.10 1u6f n GLN 124 Cb 0.61 -2.09 -0.04 0.00 2.41 0.00 0.00 30.24 31.14 1u6f n GLN 124 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u6f h ARG 125 N 1.95 -0.49 -7.45 3.69 2.47 -2.01 -3.46 114.38 109.08 1u6f h ARG 125 Ca 0.51 0.03 -0.44 0.00 -1.26 0.00 0.00 59.98 58.81 1u6f h ARG 125 Cb 0.79 0.11 0.16 0.00 -1.65 0.00 0.00 29.97 29.38 1u6f h ARG 125 CO 1.32 -0.33 0.23 -1.25 0.56 0.00 0.00 179.97 180.50 1u6f s PRO 126 N -3.20 0.24 -0.29 0.04 0.04 -1.26 -5.03 135.00 125.53 1u6f s PRO 126 Ca -0.07 0.21 0.20 0.00 0.04 0.00 0.00 61.00 61.37 1u6f s PRO 126 Cb 0.01 -1.74 0.48 0.00 0.04 0.00 0.00 34.50 33.28 1u6f s PRO 126 CO 0.22 -2.79 1.17 0.41 0.04 0.00 0.00 177.00 176.05 1u6f n GLY 127 N -1.66 1.75 3.40 0.56 0.00 -1.26 -5.05 105.19 102.93 1u6f n GLY 127 Ca 0.08 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1u6f n GLY 127 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1u6f n ILE 128 N -0.66 -3.79 0.00 -0.61 -5.35 -1.26 -3.29 119.36 104.40 1u6f n ILE 128 Ca 0.03 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.74 1u6f n ILE 128 Cb 0.82 -3.58 0.00 0.00 -1.74 0.00 0.00 39.64 35.14 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u6f n ALA 129 N 0.19 0.00 -1.59 -1.28 0.00 -1.26 -4.70 120.51 111.88 1u6f n ALA 129 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1u6f n ALA 129 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.00 0.46 1.43 0.00 0.00 -1.21 -4.91 105.19 100.97 1u6f n GLY 130 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.43 -1.84 -2.20 4.61 0.00 -1.26 -5.05 120.51 113.35 1u6f n ALA 131 Ca -0.00 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1u6f n ALA 131 Cb 0.50 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -4.72 0.51 -0.61 0.00 -7.23 -1.26 -5.12 120.40 101.97 1u6f s VAL 132 Ca 0.00 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 1u6f s VAL 132 Cb 0.00 -1.54 0.16 0.00 0.56 0.00 0.00 36.38 35.56 1u6f s VAL 132 CO 0.00 -0.88 0.45 -0.83 -0.31 0.00 0.00 175.10 173.53 1u6f s GLY 133 N -2.89 2.41 0.35 2.32 0.00 -1.26 -5.03 107.32 103.23 1u6f s GLY 133 Ca 0.08 -3.10 0.00 0.00 0.00 0.00 0.00 44.72 41.71 1u6f s GLY 133 CO -0.06 1.12 0.00 1.34 0.00 0.00 0.00 173.10 175.50 1u6f n ASP 134 N 3.86 -8.65 0.00 1.64 2.03 -1.26 -5.03 116.55 109.15 1u6f n ASP 134 Ca 0.06 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1u6f n ASP 134 Cb 0.40 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.37 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u6f n GLY 135 N -4.27 0.21 3.79 0.27 0.00 -1.26 -5.16 105.19 98.77 1u6f n GLY 135 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1u6f n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u6f s ASN 136 N 0.00 -0.04 0.00 1.61 4.22 -1.26 -5.06 114.94 114.41 1u6f s ASN 136 Ca 0.00 -0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 1u6f s ASN 136 Cb 0.00 0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.78 1u6f s ASN 136 CO 0.00 -0.47 0.00 0.61 -2.04 0.00 0.00 177.10 175.20 1u6f n GLY 137 N -0.65 0.96 0.07 0.45 0.00 -1.26 -5.07 105.19 99.69 1u6f n GLY 137 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1u6f n GLY 137 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u6f h TYR 138 N 0.00 0.00 -0.03 1.61 3.20 -2.08 -3.56 116.97 116.11 1u6f h TYR 138 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1u6f h TYR 138 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1u6f h TYR 138 CO 0.00 0.25 0.00 1.28 -1.64 0.00 0.00 178.16 178.05