#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 7.17 -4.05 7.83 7.64 -1.26 -4.89 113.62 126.07 1u6f n SER 2 Ca 0.00 -3.81 -0.42 0.00 1.01 0.00 0.00 58.87 55.65 1u6f n SER 2 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1u6f n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6f n GLN 3 N -0.68 3.05 -0.03 1.43 6.02 -1.26 -4.71 117.38 121.20 1u6f n GLN 3 Ca 0.55 -2.95 -0.15 0.00 -0.01 0.00 0.00 57.00 54.44 1u6f n GLN 3 Cb 0.47 -3.32 -0.12 0.00 1.02 0.00 0.00 30.24 28.29 1u6f n GLN 3 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1u6f h ILE 4 N 4.52 1.60 0.00 5.09 2.04 -2.00 -3.33 117.51 125.42 1u6f h ILE 4 Ca 0.51 -2.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.23 1u6f h ILE 4 Cb 0.72 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1u6f h ILE 4 CO 1.70 0.55 -0.46 1.55 0.00 0.00 0.00 178.15 181.49 1u6f h PRO 5 N -0.63 0.00 -3.63 2.37 0.13 -2.04 -3.47 132.00 124.72 1u6f h PRO 5 Ca -0.03 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.76 1u6f h PRO 5 Cb 1.01 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.18 1u6f h PRO 5 CO 0.04 0.46 -0.50 -0.11 -0.23 0.00 0.00 178.00 177.66 1u6f n LEU 6 N -3.26 -2.42 -4.78 1.56 0.00 -1.25 -4.99 117.00 101.87 1u6f n LEU 6 Ca 0.02 -0.21 -0.36 0.00 0.00 0.00 0.00 56.01 55.46 1u6f n LEU 6 Cb 0.69 -2.57 -0.07 0.00 0.00 0.00 0.00 43.42 41.47 1u6f n LEU 6 CO 0.40 0.15 -0.15 -0.69 0.00 0.00 0.00 177.39 177.09 1u6f s VAL 7 N -3.05 5.42 -0.28 1.96 1.01 -1.26 -5.07 120.40 119.12 1u6f s VAL 7 Ca 0.22 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1u6f s VAL 7 Cb -0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1u6f s VAL 7 CO 0.27 0.49 0.37 -0.55 0.00 0.00 0.00 175.10 175.68 1u6f s SER 8 N -0.08 6.23 -0.54 3.32 0.15 -1.26 -5.02 113.70 116.50 1u6f s SER 8 Ca 0.11 0.18 -0.27 0.00 0.70 0.00 0.00 55.95 56.67 1u6f s SER 8 Cb -0.12 -2.21 -0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1u6f s SER 8 CO 0.01 -0.21 1.62 -1.58 1.20 0.00 0.00 173.24 174.28 1u6f s GLN 9 N 2.06 3.08 0.25 5.44 0.74 -1.26 -4.57 119.66 125.41 1u6f s GLN 9 Ca 0.14 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1u6f s GLN 9 Cb -0.16 -4.23 0.00 0.00 1.10 0.00 0.00 33.01 29.73 1u6f s GLN 9 CO 0.10 -2.19 0.00 0.98 -0.55 0.00 0.00 175.29 173.63 1u6f n TYR 10 N 10.74 -2.51 -1.58 1.67 4.19 -1.26 -5.06 117.16 123.35 1u6f n TYR 10 Ca 0.17 0.57 -0.44 0.00 3.31 0.00 0.00 57.90 61.51 1u6f n TYR 10 Cb 0.50 1.24 -0.03 0.00 0.49 0.00 0.00 39.34 41.53 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1u6f n ASP 11 N -3.23 3.11 -4.77 2.98 5.75 -1.26 -4.93 116.55 114.21 1u6f n ASP 11 Ca 0.00 0.20 -0.40 0.00 -0.01 0.00 0.00 54.79 54.58 1u6f n ASP 11 Cb 0.00 -1.53 -0.03 0.00 -1.03 0.00 0.00 41.12 38.53 1u6f n ASP 11 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1u6f s PRO 12 N 6.42 4.40 -0.20 0.11 0.04 -1.26 -5.03 135.00 139.48 1u6f s PRO 12 Ca 1.02 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 63.96 1u6f s PRO 12 Cb -0.38 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1u6f s PRO 12 CO 0.36 -0.07 0.11 0.71 0.04 0.00 0.00 177.00 178.16 1u6f s TYR 13 N -1.20 3.34 0.00 0.56 1.51 -1.26 -4.59 117.35 115.71 1u6f s TYR 13 Ca 0.49 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 1u6f s TYR 13 Cb -0.35 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.35 1u6f s TYR 13 CO 0.46 0.21 0.00 0.41 -1.11 0.00 0.00 175.55 175.52 1u6f n GLY 14 N 3.65 3.17 2.13 0.71 0.00 -1.26 -4.95 105.19 108.65 1u6f n GLY 14 Ca -0.16 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1u6f n GLY 14 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u6f n GLN 15 N 0.00 3.34 0.24 1.61 -0.06 -1.26 -4.74 117.38 116.51 1u6f n GLN 15 Ca 0.00 -3.92 0.07 0.00 -2.00 0.00 0.00 57.00 51.15 1u6f n GLN 15 Cb 0.00 -2.28 0.59 0.00 -4.06 0.00 0.00 30.24 24.48 1u6f n GLN 15 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1u6f h THR 16 N 1.85 1.05 -2.82 1.69 2.02 -1.93 -3.43 112.91 111.34 1u6f h THR 16 Ca 0.44 -0.22 -0.54 0.00 0.77 0.00 0.00 66.41 66.85 1u6f h THR 16 Cb 1.29 1.11 0.07 0.00 -1.74 0.00 0.00 68.15 68.88 1u6f h THR 16 CO 1.01 0.07 0.88 0.00 0.37 0.00 0.00 175.52 177.85 1u6f n ALA 17 N -2.53 2.27 -1.47 6.16 0.00 -1.26 -4.68 120.51 119.00 1u6f n ALA 17 Ca -0.03 0.40 0.18 0.00 0.00 0.00 0.00 53.44 54.00 1u6f n ALA 17 Cb 0.14 -2.44 -0.08 0.00 0.00 0.00 0.00 19.45 17.07 1u6f n ALA 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1u6f n GLN 18 N 2.97 -3.31 0.06 0.00 1.13 -1.26 -5.04 117.38 111.93 1u6f n GLN 18 Ca 0.13 2.59 0.00 0.00 -1.94 0.00 0.00 57.00 57.78 1u6f n GLN 18 Cb 0.34 -3.90 0.00 0.00 0.11 0.00 0.00 30.24 26.79 1u6f n GLN 18 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1u6f n LEU 19 N -4.37 -1.09 0.00 1.08 7.94 -1.26 -5.04 117.00 114.26 1u6f n LEU 19 Ca -0.07 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1u6f n LEU 19 Cb 0.69 1.30 0.00 0.00 0.53 0.00 0.00 43.42 45.94 1u6f n LEU 19 CO 0.03 0.04 0.00 1.67 -1.11 0.00 0.00 177.39 178.03 1u6f n GLN 20 N -2.90 0.00 -2.62 1.96 0.00 -1.26 -5.12 117.38 107.43 1u6f n GLN 20 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.58 1u6f n GLN 20 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 1u6f n GLN 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1u6f s GLN 21 N -0.98 4.47 -0.41 3.69 0.74 -1.26 -5.01 119.66 120.89 1u6f s GLN 21 Ca 0.00 1.50 0.02 0.00 0.05 0.00 0.00 55.36 56.93 1u6f s GLN 21 Cb 0.00 -3.48 0.13 0.00 1.10 0.00 0.00 33.01 30.76 1u6f s GLN 21 CO 0.00 -0.22 0.21 -0.51 -0.55 0.00 0.00 175.29 174.22 1u6f s LEU 22 N 1.48 2.72 0.40 3.68 1.02 -1.26 -5.03 118.68 121.70 1u6f s LEU 22 Ca 0.53 -2.45 0.00 0.00 0.02 0.00 0.00 54.13 52.23 1u6f s LEU 22 Cb -0.22 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 44.95 1u6f s LEU 22 CO 0.24 -0.30 0.00 0.00 0.02 0.00 0.00 176.35 176.32 1u6f n GLN 23 N 3.79 -3.03 -4.35 1.70 1.13 -1.26 -4.92 117.38 110.44 1u6f n GLN 23 Ca 0.07 2.11 -0.26 0.00 -1.94 0.00 0.00 57.00 56.98 1u6f n GLN 23 Cb 0.36 -3.66 -0.10 0.00 0.11 0.00 0.00 30.24 26.96 1u6f n GLN 23 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1u6f s GLN 24 N -2.66 1.93 -0.30 -1.09 -2.07 -1.26 -5.13 119.66 109.09 1u6f s GLN 24 Ca 0.00 -1.42 -0.18 0.00 -1.82 0.00 0.00 55.36 51.93 1u6f s GLN 24 Cb 0.00 -2.03 0.19 0.00 -1.09 0.00 0.00 33.01 30.07 1u6f s GLN 24 CO 0.00 0.40 1.21 -0.65 -1.32 0.00 0.00 175.29 174.93 1u6f s GLN 25 N -3.04 0.10 -0.33 9.60 -0.21 -1.26 -5.13 119.66 119.38 1u6f s GLN 25 Ca 0.26 0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.93 1u6f s GLN 25 Cb -0.08 0.14 0.17 0.00 1.00 0.00 0.00 33.01 34.25 1u6f s GLN 25 CO 0.15 -0.03 0.48 -1.14 -2.12 0.00 0.00 175.29 172.62 1u6f s GLN 26 N 2.07 0.58 -0.25 2.91 0.74 -1.26 -5.00 119.66 119.45 1u6f s GLN 26 Ca -0.01 -0.12 0.10 0.00 0.05 0.00 0.00 55.36 55.38 1u6f s GLN 26 Cb -0.02 -0.23 0.45 0.00 1.10 0.00 0.00 33.01 34.32 1u6f s GLN 26 CO -0.16 -1.11 1.31 1.04 -0.55 0.00 0.00 175.29 175.82 1u6f n GLN 27 N 4.91 1.79 0.00 1.67 1.13 -1.26 -4.67 117.38 120.94 1u6f n GLN 27 Ca 0.06 -3.32 0.00 0.00 -1.94 0.00 0.00 57.00 51.80 1u6f n GLN 27 Cb 0.51 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1u6f n GLN 27 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u6f n GLN 28 N -1.10 0.00 -2.34 -1.09 6.02 -1.26 -5.13 117.38 112.48 1u6f n GLN 28 Ca 0.26 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.21 1u6f n GLN 28 Cb 0.83 -0.30 -0.03 0.00 1.02 0.00 0.00 30.24 31.75 1u6f n GLN 28 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1u6f n HIS 29 N -2.19 -3.36 -3.67 1.08 8.25 -1.26 -4.99 115.22 109.09 1u6f n HIS 29 Ca 0.00 1.88 -0.28 0.00 -0.26 0.00 0.00 57.72 59.06 1u6f n HIS 29 Cb 0.09 -3.36 -0.10 0.00 1.12 0.00 0.00 29.99 27.74 1u6f n HIS 29 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u6f n ILE 30 N 1.16 2.09 -0.52 1.59 -0.00 -1.26 -5.10 119.36 117.33 1u6f n ILE 30 Ca -0.27 -5.06 -0.30 0.00 -0.00 0.00 0.00 62.75 57.12 1u6f n ILE 30 Cb 0.42 -2.16 0.28 0.00 -0.00 0.00 0.00 39.64 38.18 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 -1.94 -2.47 0.64 0.38 0.04 -1.26 -4.83 135.00 125.57 1u6f s PRO 31 Ca 0.32 0.16 0.27 0.00 0.04 0.00 0.00 61.00 61.79 1u6f s PRO 31 Cb 0.04 -1.43 1.45 0.00 0.04 0.00 0.00 34.50 34.60 1u6f s PRO 31 CO -0.09 -4.58 1.83 -1.35 0.04 0.00 0.00 177.00 172.85 1u6f h PRO 32 N -3.21 0.00 -4.90 0.56 0.11 -2.07 -3.46 132.00 119.02 1u6f h PRO 32 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u6f h PRO 32 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1u6f h PRO 32 CO 0.31 0.00 -0.60 2.41 -0.21 0.00 0.00 178.00 179.92 1u6f n THR 33 N -3.14-10.16 -2.93 -1.15 -1.04 -1.26 -4.92 114.28 89.68 1u6f n THR 33 Ca 0.02 1.10 -0.43 0.00 -2.04 0.00 0.00 64.05 62.69 1u6f n THR 33 Cb 0.54 -6.72 -0.04 0.00 -1.82 0.00 0.00 70.33 62.29 1u6f n THR 33 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1u6f s GLN 34 N -1.99 3.10 -0.70 -2.82 2.00 -1.26 -4.31 119.66 113.66 1u6f s GLN 34 Ca 0.13 -0.98 0.00 0.00 -2.00 0.00 0.00 55.36 52.51 1u6f s GLN 34 Cb -0.04 -4.25 0.00 0.00 0.80 0.00 0.00 33.01 29.53 1u6f s GLN 34 CO 0.67 -1.74 0.00 -1.33 -0.50 0.00 0.00 175.29 172.38 1u6f n MET 35 N 7.31 -2.38 0.47 1.67 2.81 -1.26 -4.84 117.12 120.90 1u6f n MET 35 Ca -0.05 0.40 -0.19 0.00 -1.81 0.00 0.00 57.70 56.05 1u6f n MET 35 Cb 0.45 -4.93 -0.09 0.00 -0.71 0.00 0.00 33.22 27.94 1u6f n MET 35 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1u6f h ASN 36 N 0.00 -1.05 -0.44 7.83 4.21 -1.97 -3.09 115.58 121.07 1u6f h ASN 36 Ca -0.19 0.04 -0.29 0.00 1.21 0.00 0.00 56.30 57.07 1u6f h ASN 36 Cb 1.09 0.28 -0.11 0.00 -1.12 0.00 0.00 38.32 38.46 1u6f h ASN 36 CO 0.23 -0.74 0.07 -0.81 -1.29 0.00 0.00 177.43 174.89 1u6f n PRO 37 N -5.30 1.95 -3.37 0.81 -0.04 -1.26 -4.66 135.00 123.14 1u6f n PRO 37 Ca -0.15 -1.40 -0.39 0.00 -0.04 0.00 0.00 63.50 61.53 1u6f n PRO 37 Cb 0.48 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 1u6f n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1u6f s GLU 38 N -0.55 4.12 0.13 0.54 0.41 -1.17 -4.90 118.70 117.28 1u6f s GLU 38 Ca 0.48 0.17 0.22 0.00 -0.41 0.00 0.00 54.97 55.43 1u6f s GLU 38 Cb 0.28 -3.58 0.88 0.00 -1.78 0.00 0.00 34.13 29.92 1u6f s GLU 38 CO -0.07 -0.14 1.68 -0.35 -0.49 0.00 0.00 175.26 175.88 1u6f n PRO 39 N 4.84 0.12 -0.05 0.39 -0.04 -1.26 -3.30 135.00 135.70 1u6f n PRO 39 Ca -0.08 0.27 0.16 0.00 -0.04 0.00 0.00 63.50 63.82 1u6f n PRO 39 Cb 0.51 -1.69 0.59 0.00 -0.04 0.00 0.00 33.50 32.87 1u6f n PRO 39 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1u6f h ASP 40 N 0.00 0.19 0.00 3.54 5.19 -1.97 -3.16 116.42 120.21 1u6f h ASP 40 Ca 0.00 0.01 -0.58 0.00 -0.62 0.00 0.00 57.03 55.84 1u6f h ASP 40 Cb 0.41 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.91 1u6f h ASP 40 CO 0.00 0.11 3.15 1.33 -3.12 0.00 0.00 179.24 180.71 1u6f n VAL 41 N -4.43 3.26 0.05 -1.35 0.24 -1.21 -4.45 118.33 110.44 1u6f n VAL 41 Ca 0.10 -2.15 -0.10 0.00 -2.04 0.00 0.00 64.34 60.15 1u6f n VAL 41 Cb 0.50 -2.42 -0.13 0.00 -1.47 0.00 0.00 33.84 30.33 1u6f n VAL 41 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1u6f h LEU 42 N 8.72 0.10 0.00 1.34 3.38 -1.87 -3.26 115.31 123.72 1u6f h LEU 42 Ca 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1u6f h LEU 42 Cb 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1u6f h LEU 42 CO 1.71 1.10 0.00 -2.11 0.09 0.00 0.00 178.44 179.23 1u6f n ARG 43 N -3.33 0.57 -2.61 1.13 1.85 -1.26 -4.61 116.66 108.40 1u6f n ARG 43 Ca -0.06 0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.37 1u6f n ARG 43 Cb 0.98 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.87 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1u6f s ASN 44 N -2.04 6.43 -0.19 2.89 3.04 -1.23 -0.29 114.94 123.57 1u6f s ASN 44 Ca 0.28 0.05 -0.03 0.00 0.04 0.00 0.00 52.86 53.19 1u6f s ASN 44 Cb 0.13 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.28 1u6f s ASN 44 CO 0.22 -1.46 -0.05 -0.76 -3.04 0.00 0.00 177.10 172.01 1u6f s LEU 45 N 4.85 2.98 -0.37 3.21 2.01 -0.26 -2.39 118.68 128.71 1u6f s LEU 45 Ca 0.41 -0.30 -0.14 0.00 0.01 0.00 0.00 54.13 54.12 1u6f s LEU 45 Cb -0.08 -1.73 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 1u6f s LEU 45 CO 0.25 0.07 0.27 -0.32 1.01 0.00 0.00 176.35 177.63 1u6f s MET 46 N 0.95 3.31 -0.14 1.70 -2.45 0.33 0.11 119.30 123.11 1u6f s MET 46 Ca -0.00 -0.77 -0.06 0.00 -1.25 0.00 0.00 55.69 53.61 1u6f s MET 46 Cb -0.15 -3.87 -0.04 0.00 1.25 0.00 0.00 34.83 32.02 1u6f s MET 46 CO 0.01 -0.56 0.09 0.14 1.05 0.00 0.00 175.02 175.75 1u6f s VAL 47 N 1.73 5.07 -0.09 10.11 -7.23 0.39 0.38 120.40 130.76 1u6f s VAL 47 Ca 0.06 0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.17 1u6f s VAL 47 Cb -0.18 -3.22 0.03 0.00 0.56 0.00 0.00 36.38 33.56 1u6f s VAL 47 CO 0.10 0.56 0.30 0.21 -0.31 0.00 0.00 175.10 175.96 1u6f s ASN 48 N -0.51 -0.28 0.24 4.85 3.04 0.10 0.82 114.94 123.21 1u6f s ASN 48 Ca 0.11 0.48 0.00 0.00 0.04 0.00 0.00 52.86 53.49 1u6f s ASN 48 Cb -0.12 0.55 0.00 0.00 -1.54 0.00 0.00 41.25 40.14 1u6f s ASN 48 CO 0.02 -0.18 0.00 0.00 -3.04 0.00 0.00 177.10 173.90 1u6f n TYR 49 N 2.55 -3.44 -3.46 0.43 9.36 -1.26 -2.08 117.16 119.25 1u6f n TYR 49 Ca -0.15 0.84 -0.20 0.00 3.32 0.00 0.00 57.90 61.71 1u6f n TYR 49 Cb 0.57 2.29 -0.02 0.00 -0.63 0.00 0.00 39.34 41.55 1u6f n TYR 49 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1u6f s ILE 50 N -1.67 3.02 0.00 2.97 1.01 -1.26 -5.05 121.20 120.22 1u6f s ILE 50 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1u6f s ILE 50 Cb 0.00 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1u6f s ILE 50 CO 0.00 -0.05 0.00 -0.81 0.00 0.00 0.00 174.94 174.08 1u6f n PRO 51 N -1.60 0.00 0.00 2.79 -0.04 -1.26 -4.40 135.00 130.49 1u6f n PRO 51 Ca 0.03 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1u6f n PRO 51 Cb 0.60 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.77 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 0.08 -0.20 0.52 -1.04 -1.26 -3.28 114.28 109.11 1u6f n THR 52 Ca 0.00 0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.14 1u6f n THR 52 Cb 0.00 -0.55 0.30 0.00 -1.82 0.00 0.00 70.33 68.26 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1u6f n THR 53 N -1.29 0.90 -2.17 12.58 -1.04 -1.26 -4.81 114.28 117.19 1u6f n THR 53 Ca 0.13 -0.93 -0.42 0.00 -2.04 0.00 0.00 64.05 60.79 1u6f n THR 53 Cb 0.23 0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 69.24 1u6f n THR 53 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1u6f s VAL 54 N -1.10 3.63 -0.24 12.58 -7.23 -1.20 -4.93 120.40 121.91 1u6f s VAL 54 Ca 0.47 1.00 -0.02 0.00 -1.81 0.00 0.00 61.98 61.61 1u6f s VAL 54 Cb 0.25 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.56 1u6f s VAL 54 CO 0.32 -0.01 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.41 1u6f s ASP 55 N 2.06 4.22 0.62 4.85 -1.08 -1.26 -4.96 116.67 121.12 1u6f s ASP 55 Ca 0.66 -0.76 0.31 0.00 -0.52 0.00 0.00 52.55 52.24 1u6f s ASP 55 Cb -0.32 -1.67 1.76 0.00 -1.46 0.00 0.00 42.92 41.23 1u6f s ASP 55 CO 0.27 -0.10 2.09 1.05 0.52 0.00 0.00 175.17 179.01 1u6f h GLU 56 N 8.03 0.00 0.26 4.34 4.11 -1.97 -2.09 114.58 127.26 1u6f h GLU 56 Ca -0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 1u6f h GLU 56 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1u6f h GLU 56 CO 0.59 0.00 -0.12 0.28 0.07 0.00 0.00 179.01 179.82 1u6f h VAL 57 N 0.00 0.55 -0.86 -1.06 2.07 -1.97 0.38 116.25 115.36 1u6f h VAL 57 Ca 0.07 -0.90 0.21 0.00 0.82 0.00 0.00 66.70 66.90 1u6f h VAL 57 Cb 0.49 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 31.04 1u6f h VAL 57 CO -0.00 0.13 0.32 -0.61 0.02 0.00 0.00 177.57 177.43 1u6f h GLN 58 N -0.95 0.33 0.00 1.57 4.15 -1.81 0.75 115.11 119.16 1u6f h GLN 58 Ca -0.04 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 1u6f h GLN 58 Cb 0.49 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1u6f h GLN 58 CO 0.06 0.22 -0.69 -0.07 -1.93 0.00 0.00 178.83 176.42 1u6f h LEU 59 N 0.34 0.00 0.36 -2.39 3.38 -1.55 -2.63 115.31 112.83 1u6f h LEU 59 Ca 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1u6f h LEU 59 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1u6f h LEU 59 CO -0.54 0.69 -0.27 -0.09 0.09 0.00 0.00 178.44 178.31 1u6f h ARG 60 N 0.00 -0.61 -0.16 1.13 1.12 0.48 1.48 114.38 117.83 1u6f h ARG 60 Ca -0.01 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.83 1u6f h ARG 60 Cb 1.45 0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 31.55 1u6f h ARG 60 CO 0.09 -0.41 -0.19 1.96 -3.11 0.00 0.00 179.97 178.32 1u6f h GLN 61 N -0.63 0.41 -0.68 0.20 4.20 -1.23 0.52 115.11 117.90 1u6f h GLN 61 Ca -0.03 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 1u6f h GLN 61 Cb 0.55 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1u6f h GLN 61 CO -0.00 0.80 0.14 1.25 -0.67 0.00 0.00 178.83 180.34 1u6f h LEU 62 N 0.04 1.05 0.00 1.46 5.85 -1.39 -1.74 115.31 120.58 1u6f h LEU 62 Ca 0.02 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1u6f h LEU 62 Cb 0.74 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1u6f h LEU 62 CO 0.05 1.03 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.36 1u6f h PHE 63 N 1.03 0.00 -0.02 1.25 -1.00 0.20 -3.33 116.94 115.08 1u6f h PHE 63 Ca 0.21 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.99 1u6f h PHE 63 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1u6f h PHE 63 CO 0.03 1.19 0.08 1.05 -1.61 0.00 0.00 178.31 179.05 1u6f h GLU 64 N -1.00 0.00 0.22 1.51 4.11 -0.00 -1.49 114.58 117.93 1u6f h GLU 64 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1u6f h GLU 64 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1u6f h GLU 64 CO -0.09 0.00 -0.12 -0.09 0.07 0.00 0.00 179.01 178.78 1u6f h ARG 65 N 0.00 -0.30 -0.00 1.06 1.12 -1.41 -1.51 114.38 113.33 1u6f h ARG 65 Ca 0.01 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1u6f h ARG 65 Cb 0.17 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1u6f h ARG 65 CO -0.00 -0.20 -0.15 0.66 -3.11 0.00 0.00 179.97 177.17 1u6f n TYR 66 N -5.23 0.00 -3.00 2.20 4.01 -0.81 -4.71 117.16 109.62 1u6f n TYR 66 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.69 1u6f n TYR 66 Cb 0.15 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.66 -1.18 -0.38 2.72 0.00 -0.62 -4.78 107.32 100.42 1u6f s GLY 67 Ca 0.23 1.78 -0.43 0.00 0.00 0.00 0.00 44.72 46.29 1u6f s GLY 67 CO 0.52 4.19 1.69 -1.05 0.00 0.00 0.00 173.10 178.45 1u6f n PRO 68 N 4.53 0.62 -2.82 2.90 -0.02 -0.61 -3.88 135.00 135.72 1u6f n PRO 68 Ca 0.08 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1u6f n PRO 68 Cb 0.60 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 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 3.34 4.29 -0.20 4.25 -4.36 -1.26 -0.95 121.20 126.32 1u6f s ILE 69 Ca 1.02 1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 62.96 1u6f s ILE 69 Cb -1.27 -3.89 -0.20 0.00 1.25 0.00 0.00 42.46 38.35 1u6f s ILE 69 CO 0.73 0.02 0.12 1.21 0.24 0.00 0.00 174.94 177.26 1u6f n GLU 70 N 0.24 0.65 -3.41 0.37 0.00 0.53 -4.67 120.64 114.36 1u6f n GLU 70 Ca 0.03 0.36 -0.15 0.00 0.00 0.00 0.00 57.16 57.40 1u6f n GLU 70 Cb 0.51 -1.66 -0.10 0.00 0.00 0.00 0.00 31.44 30.19 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 -6.98 1.12 -0.10 4.31 0.15 -1.04 -5.03 113.70 106.13 1u6f s SER 71 Ca -0.29 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.02 1u6f s SER 71 Cb 0.08 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 1u6f s SER 71 CO 0.64 -0.34 0.02 0.54 1.20 0.00 0.00 173.24 175.30 1u6f s VAL 72 N 2.41 4.48 -0.17 4.45 0.11 -1.26 -1.13 120.40 129.29 1u6f s VAL 72 Ca 0.09 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.75 1u6f s VAL 72 Cb -0.15 -2.91 0.06 0.00 -1.53 0.00 0.00 36.38 31.85 1u6f s VAL 72 CO -0.22 0.59 0.58 -0.75 -3.33 0.00 0.00 175.10 171.97 1u6f s LYS 73 N -0.71 0.76 0.22 1.54 2.20 0.29 -4.94 119.74 119.09 1u6f s LYS 73 Ca 0.11 0.62 -0.17 0.00 -0.36 0.00 0.00 55.97 56.18 1u6f s LYS 73 Cb -0.12 0.36 -0.08 0.00 -1.51 0.00 0.00 37.83 36.49 1u6f s LYS 73 CO 0.02 -0.14 0.66 0.42 -0.36 0.00 0.00 175.35 175.95 1u6f s ILE 74 N -0.12 4.70 -0.47 5.43 1.01 -1.26 0.26 121.20 130.75 1u6f s ILE 74 Ca -0.03 1.03 -0.19 0.00 0.00 0.00 0.00 60.65 61.46 1u6f s ILE 74 Cb -0.03 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.72 1u6f s ILE 74 CO 0.03 0.14 0.58 -0.69 0.00 0.00 0.00 174.94 174.99 1u6f s VAL 75 N -1.60 4.93 0.60 2.92 1.01 0.38 -4.72 120.40 123.92 1u6f s VAL 75 Ca 0.43 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1u6f s VAL 75 Cb -0.15 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.08 1u6f s VAL 75 CO 0.20 -0.67 0.83 0.00 0.00 0.00 0.00 175.10 175.46 1u6f s ASP 77 N -4.53 7.01 0.00 0.00 1.11 -0.72 -4.88 116.67 114.66 1u6f s ASP 77 Ca 0.60 1.43 0.16 0.00 0.18 0.00 0.00 52.55 54.92 1u6f s ASP 77 Cb -0.09 -2.54 0.70 0.00 1.07 0.00 0.00 42.92 42.06 1u6f s ASP 77 CO 0.40 -0.75 1.52 -2.11 1.18 0.00 0.00 175.17 175.41 1u6f n ARG 78 N 6.54 0.01 -0.01 8.23 1.85 -1.26 0.59 116.66 132.60 1u6f n ARG 78 Ca 0.13 0.22 -0.13 0.00 -1.00 0.00 0.00 57.85 57.07 1u6f n ARG 78 Cb 0.46 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.27 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1u6f h GLU 79 N 0.00 -0.05 -0.09 2.89 4.39 -1.97 -3.36 114.58 116.40 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u6f h GLU 79 Cb 0.28 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1u6f h GLU 79 CO 0.00 0.54 0.00 -2.37 -1.16 0.00 0.00 179.01 176.02 1u6f n THR 80 N -4.82 0.75 -3.21 1.13 5.66 -1.20 -4.99 114.28 107.60 1u6f n THR 80 Ca -0.09 -0.88 -0.22 0.00 -3.05 0.00 0.00 64.05 59.81 1u6f n THR 80 Cb 0.30 0.64 0.01 0.00 -1.55 0.00 0.00 70.33 69.74 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 -0.08 -3.81 -4.06 1.09 5.12 0.20 -4.95 116.66 110.16 1u6f n ARG 81 Ca 0.03 0.61 -0.36 0.00 -1.93 0.00 0.00 57.85 56.21 1u6f n ARG 81 Cb 0.25 -5.37 -0.07 0.00 -1.16 0.00 0.00 32.46 26.12 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 -5.87 3.26 -0.20 5.56 -1.52 -1.16 -4.89 119.66 114.84 1u6f s GLN 82 Ca 0.35 -0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.21 1u6f s GLN 82 Cb -0.18 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 1u6f s GLN 82 CO 0.43 0.74 1.94 -1.54 -0.25 0.00 0.00 175.29 176.61 1u6f s SER 83 N -1.10 5.95 0.00 5.90 1.04 -1.26 -1.75 113.70 122.49 1u6f s SER 83 Ca 0.16 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.43 1u6f s SER 83 Cb -0.12 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1u6f s SER 83 CO 0.05 -1.57 0.00 -1.14 0.98 0.00 0.00 173.24 171.56 1u6f n ARG 84 N 8.20 0.00 0.00 4.02 0.63 -1.26 -4.22 116.66 124.03 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 1.36 3.83 5.14 0.00 -1.23 -3.89 105.19 110.39 1u6f n GLY 85 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 0.29 1.61 -0.85 -1.10 -4.60 117.35 112.70 1u6f s TYR 86 Ca 0.00 -0.25 0.10 0.00 -0.52 0.00 0.00 57.07 56.40 1u6f s TYR 86 Cb 0.00 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 1u6f s TYR 86 CO 0.00 -0.59 -0.00 0.20 -1.52 0.00 0.00 175.55 173.64 1u6f s GLY 87 N -3.35 1.78 0.05 5.49 0.00 0.24 0.14 107.32 111.68 1u6f s GLY 87 Ca 0.21 -1.74 0.09 0.00 0.00 0.00 0.00 44.72 43.28 1u6f s GLY 87 CO 0.01 -1.77 -0.26 -1.36 0.00 0.00 0.00 173.10 169.72 1u6f s PHE 88 N -2.38 2.25 -0.20 1.90 0.40 0.74 0.15 117.98 120.83 1u6f s PHE 88 Ca 0.33 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1u6f s PHE 88 Cb -0.05 -1.33 0.09 0.00 0.51 0.00 0.00 43.02 42.24 1u6f s PHE 88 CO 0.20 0.14 0.21 0.54 0.70 0.00 0.00 175.22 177.01 1u6f s VAL 89 N -0.83 -0.30 -0.40 -0.44 0.11 0.31 0.11 120.40 118.96 1u6f s VAL 89 Ca 0.11 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 1u6f s VAL 89 Cb -0.10 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1u6f s VAL 89 CO 0.02 -0.22 0.69 -0.75 -3.33 0.00 0.00 175.10 171.51 1u6f s LYS 90 N 2.30 3.53 0.65 1.54 2.20 -0.28 -1.10 119.74 128.58 1u6f s LYS 90 Ca 0.06 -0.06 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 1u6f s LYS 90 Cb -0.16 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.28 1u6f s LYS 90 CO -0.12 -0.90 1.08 -0.06 -0.36 0.00 0.00 175.35 174.99 1u6f s PHE 91 N 2.91 2.85 0.14 4.03 0.40 0.61 -0.34 117.98 128.57 1u6f s PHE 91 Ca 0.26 1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 57.84 1u6f s PHE 91 Cb -0.14 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.33 1u6f s PHE 91 CO 0.18 -1.39 1.61 1.96 0.70 0.00 0.00 175.22 178.28 1u6f h GLN 92 N -0.07 -0.38 -5.52 0.44 4.20 -1.31 -3.39 115.11 109.08 1u6f h GLN 92 Ca -0.46 0.03 -0.46 0.00 0.06 0.00 0.00 58.65 57.82 1u6f h GLN 92 Cb 1.23 0.09 -0.23 0.00 0.30 0.00 0.00 27.48 28.86 1u6f h GLN 92 CO 0.56 -0.25 -0.80 0.45 -0.67 0.00 0.00 178.83 178.12 1u6f s SER 93 N -4.93 1.87 0.53 1.46 0.15 -1.26 -4.88 113.70 106.64 1u6f s SER 93 Ca -0.15 -0.56 0.29 0.00 0.70 0.00 0.00 55.95 56.23 1u6f s SER 93 Cb 0.10 -0.10 1.44 0.00 -1.71 0.00 0.00 66.02 65.75 1u6f s SER 93 CO 0.66 0.01 1.93 1.23 1.20 0.00 0.00 173.24 178.27 1u6f h GLY 94 N 4.55 0.03 2.00 9.45 0.00 -1.87 0.67 103.07 117.90 1u6f h GLY 94 Ca -0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1u6f h GLY 94 CO 0.42 0.00 -0.01 1.48 0.00 0.00 0.00 176.54 178.43 1u6f h SER 95 N 0.01 0.00 1.04 0.19 4.64 -1.95 -1.33 113.55 116.15 1u6f h SER 95 Ca 0.36 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.48 1u6f h SER 95 Cb 1.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.48 1u6f h SER 95 CO -0.01 0.01 -0.97 -1.28 -0.87 0.00 0.00 176.83 173.71 1u6f h SER 96 N 0.00 0.00 -0.78 4.97 0.87 -0.03 -3.27 113.55 115.32 1u6f h SER 96 Ca -0.00 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1u6f h SER 96 Cb 0.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1u6f h SER 96 CO 0.00 0.95 0.51 0.00 -0.53 0.00 0.00 176.83 177.76 1u6f h ALA 97 N 1.05 1.63 -0.76 6.23 0.00 -1.23 -0.41 119.26 125.78 1u6f h ALA 97 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1u6f h ALA 97 Cb 1.74 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1u6f h ALA 97 CO 0.12 0.25 0.50 1.96 0.00 0.00 0.00 179.25 182.08 1u6f h GLN 98 N 0.85 0.70 0.00 0.00 1.08 -1.62 0.29 115.11 116.42 1u6f h GLN 98 Ca 0.33 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 57.31 1u6f h GLN 98 Cb 0.22 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1u6f h GLN 98 CO -0.11 0.46 -0.83 1.96 -0.95 0.00 0.00 178.83 179.36 1u6f h GLN 99 N 0.72 0.06 0.27 1.46 4.20 -1.26 -1.51 115.11 119.04 1u6f h GLN 99 Ca 0.34 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1u6f h GLN 99 Cb 0.39 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1u6f h GLN 99 CO -0.12 0.85 -0.13 0.00 -0.67 0.00 0.00 178.83 178.76 1u6f h ALA 100 N 1.13 -0.36 0.00 3.87 0.00 -0.20 -2.13 119.26 121.57 1u6f h ALA 100 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1u6f h ALA 100 Cb 1.45 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1u6f h ALA 100 CO 0.11 -0.44 -0.09 0.82 0.00 0.00 0.00 179.25 179.65 1u6f h ILE 101 N -0.88 0.68 -0.05 0.00 2.04 -0.62 1.17 117.51 119.86 1u6f h ILE 101 Ca -0.04 -0.36 -0.19 0.00 1.00 0.00 0.00 64.86 65.27 1u6f h ILE 101 Cb 0.51 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1u6f h ILE 101 CO 0.06 0.09 -0.77 0.00 0.00 0.00 0.00 178.15 177.53 1u6f h ALA 102 N 1.91 0.58 -0.03 1.87 0.00 -1.20 -3.38 119.26 119.01 1u6f h ALA 102 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 1u6f h ALA 102 Cb 0.21 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 17.61 1u6f h ALA 102 CO 0.01 0.79 -0.88 0.41 0.00 0.00 0.00 179.25 179.59 1u6f n GLY 103 N 0.64 0.97 0.00 0.00 0.00 -0.81 -4.91 105.19 101.09 1u6f n GLY 103 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.28 0.49 -4.67 0.99 4.77 0.40 -4.84 117.00 114.42 1u6f n LEU 104 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1u6f n LEU 104 Cb 1.03 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.09 1u6f n LEU 104 CO -0.05 0.08 1.43 0.54 -1.33 0.00 0.00 177.39 178.06 1u6f s ASN 105 N -2.80 6.58 -0.71 -1.43 4.22 -1.08 -1.12 114.94 118.61 1u6f s ASN 105 Ca 0.00 2.43 0.00 0.00 -2.14 0.00 0.00 52.86 53.15 1u6f s ASN 105 Cb 0.00 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.99 1u6f s ASN 105 CO 0.00 -0.96 0.00 0.61 -2.04 0.00 0.00 177.10 174.71 1u6f n GLY 106 N 4.23 0.84 3.44 0.45 0.00 0.32 -4.79 105.19 109.68 1u6f n GLY 106 Ca 0.18 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.61 0.68 -1.94 1.61 -0.00 -0.28 -4.55 117.46 110.37 1u6f n PHE 107 Ca -0.07 -0.09 -0.24 0.00 -0.00 0.00 0.00 57.45 57.06 1u6f n PHE 107 Cb 0.32 -2.00 -0.06 0.00 -0.00 0.00 0.00 39.48 37.74 1u6f n PHE 107 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1u6f s ASN 108 N 6.47 4.76 0.69 -2.13 4.22 -1.26 -1.88 114.94 125.80 1u6f s ASN 108 Ca 0.70 -0.88 -0.11 0.00 -2.14 0.00 0.00 52.86 50.42 1u6f s ASN 108 Cb -0.11 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.85 1u6f s ASN 108 CO 0.16 -3.20 1.06 -0.51 -2.04 0.00 0.00 177.10 172.57 1u6f s ILE 109 N 11.70 4.01 0.61 0.54 2.07 0.41 -4.91 121.20 135.63 1u6f s ILE 109 Ca 0.74 0.65 0.27 0.00 -1.41 0.00 0.00 60.65 60.90 1u6f s ILE 109 Cb -0.06 -3.54 0.35 0.00 0.13 0.00 0.00 42.46 39.34 1u6f s ILE 109 CO 0.06 -0.85 1.74 0.25 -1.91 0.00 0.00 174.94 174.23 1u6f h LEU 110 N -0.62 0.00 0.00 8.50 7.12 -2.04 -2.69 115.31 125.58 1u6f h LEU 110 Ca -0.45 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 1u6f h LEU 110 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1u6f h LEU 110 CO 0.61 0.00 -0.99 0.59 -0.13 0.00 0.00 178.44 178.52 1u6f n ASN 111 N -3.40 4.93 -3.68 1.25 3.02 -1.26 -5.10 115.26 111.02 1u6f n ASN 111 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.49 1u6f n ASN 111 Cb 0.79 0.88 -0.08 0.00 -0.61 0.00 0.00 39.78 40.77 1u6f n ASN 111 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1u6f s LYS 112 N -1.98 1.58 -0.19 3.52 -0.14 -1.02 -5.14 119.74 116.37 1u6f s LYS 112 Ca 0.00 -1.78 0.00 0.00 -1.36 0.00 0.00 55.97 52.84 1u6f s LYS 112 Cb 0.00 0.34 0.04 0.00 -1.68 0.00 0.00 37.83 36.53 1u6f s LYS 112 CO 0.00 -0.58 -0.07 0.50 -0.76 0.00 0.00 175.35 174.43 1u6f s ARG 113 N -3.67 1.72 -0.94 1.68 6.06 -1.26 0.15 118.95 122.70 1u6f s ARG 113 Ca 0.37 -0.72 -0.19 0.00 -2.50 0.00 0.00 55.73 52.69 1u6f s ARG 113 Cb 0.03 -2.26 0.12 0.00 0.06 0.00 0.00 34.95 32.90 1u6f s ARG 113 CO 0.19 -0.45 1.17 -0.51 -2.50 0.00 0.00 175.30 173.20 1u6f s LEU 114 N 1.50 4.85 -0.24 -0.88 1.43 -0.79 -4.56 118.68 119.99 1u6f s LEU 114 Ca -0.01 -1.96 -0.28 0.00 -1.03 0.00 0.00 54.13 50.84 1u6f s LEU 114 Cb -0.16 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1u6f s LEU 114 CO -0.08 -1.12 1.00 -0.75 0.23 0.00 0.00 176.35 175.63 1u6f s LYS 115 N 2.99 4.22 -0.11 1.70 2.20 -0.89 0.12 119.74 129.98 1u6f s LYS 115 Ca 0.34 1.24 0.01 0.00 -0.36 0.00 0.00 55.97 57.21 1u6f s LYS 115 Cb -0.04 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1u6f s LYS 115 CO -0.10 -0.64 -0.12 0.08 -0.36 0.00 0.00 175.35 174.21 1u6f s VAL 116 N 3.19 1.32 -0.02 4.02 1.01 -1.25 0.03 120.40 128.70 1u6f s VAL 116 Ca 0.42 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1u6f s VAL 116 Cb -0.15 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1u6f s VAL 116 CO 0.07 0.41 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 1u6f s ALA 117 N 1.22 1.36 -0.14 5.51 0.00 0.16 -4.59 121.76 125.28 1u6f s ALA 117 Ca -0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1u6f s ALA 117 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1u6f s ALA 117 CO -0.04 0.30 1.54 -0.51 0.00 0.00 0.00 175.76 177.05 1u6f s LEU 118 N -0.22 4.15 0.59 0.00 2.01 -1.26 0.12 118.68 124.07 1u6f s LEU 118 Ca 0.03 1.90 0.29 0.00 0.01 0.00 0.00 54.13 56.35 1u6f s LEU 118 Cb -0.08 -3.53 1.75 0.00 0.01 0.00 0.00 46.19 44.34 1u6f s LEU 118 CO 0.00 -0.98 2.21 0.00 1.01 0.00 0.00 176.35 178.59 1u6f h ALA 119 N 9.53 1.62 -2.69 4.21 0.00 -1.78 -3.44 119.26 126.72 1u6f h ALA 119 Ca -0.34 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 1u6f h ALA 119 Cb 1.15 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.08 1u6f h ALA 119 CO 0.97 -0.07 0.26 0.00 0.00 0.00 0.00 179.25 180.41 1u6f n ALA 120 N -2.34 0.56 -1.00 0.00 0.00 -1.26 -4.99 120.51 111.48 1u6f n ALA 120 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1u6f n ALA 120 Cb 0.14 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1u6f n ALA 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u6f n SER 121 N -0.15 -1.12 0.00 0.00 7.64 -1.26 -4.82 113.62 113.90 1u6f n SER 121 Ca 0.10 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1u6f n SER 121 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6f n GLY 122 N 1.93 1.96 0.17 0.23 0.00 -1.26 -4.92 105.19 103.31 1u6f n GLY 122 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1u6f n GLY 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1u6f h HIS 123 N 0.00 0.86 0.00 1.61 3.86 -1.96 -3.44 115.15 116.08 1u6f h HIS 123 Ca 0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1u6f h HIS 123 Cb 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1u6f h HIS 123 CO 0.00 1.30 -0.19 1.04 0.86 0.00 0.00 177.93 180.94 1u6f n GLN 124 N -4.01 0.00 -3.29 2.45 6.02 -1.26 -5.03 117.38 112.25 1u6f n GLN 124 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.45 1u6f n GLN 124 Cb 0.79 -0.22 -0.08 0.00 1.02 0.00 0.00 30.24 31.75 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1u6f s ARG 125 N -1.80 3.10 0.19 -1.09 0.52 -1.26 -4.96 118.95 113.65 1u6f s ARG 125 Ca 0.00 -0.79 -0.12 0.00 -0.52 0.00 0.00 55.73 54.30 1u6f s ARG 125 Cb 0.00 -3.99 0.22 0.00 0.52 0.00 0.00 34.95 31.70 1u6f s ARG 125 CO 0.00 -0.92 1.69 -1.35 0.02 0.00 0.00 175.30 174.75 1u6f h PRO 126 N 8.77 0.16 0.00 3.54 0.11 -1.96 -3.38 132.00 139.24 1u6f h PRO 126 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1u6f h PRO 126 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u6f h PRO 126 CO 0.83 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 1u6f n GLY 127 N -1.31 0.28 2.48 -0.55 0.00 -1.26 -4.75 105.19 100.07 1u6f n GLY 127 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -1.07 -4.79 -0.61 5.41 -1.26 -4.71 119.36 112.33 1u6f n ILE 128 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1u6f n ILE 128 Cb 0.00 -2.94 0.00 0.00 -0.71 0.00 0.00 39.64 35.99 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 -2.21 0.00 0.00 -1.39 0.00 -1.26 -5.06 120.51 110.59 1u6f n ALA 129 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1u6f n ALA 129 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.60 2.40 0.00 0.00 -1.26 -5.14 105.19 100.59 1u6f n GLY 130 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f n ALA 131 N 0.00 -2.59 -2.56 4.61 0.00 -1.26 -5.05 120.51 113.66 1u6f n ALA 131 Ca 0.00 1.12 -0.23 0.00 0.00 0.00 0.00 53.44 54.33 1u6f n ALA 131 Cb 0.00 -2.53 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 1u6f n ALA 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1u6f s VAL 132 N -0.61 1.37 0.00 0.00 -7.23 -1.26 -4.98 120.40 107.70 1u6f s VAL 132 Ca -0.09 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1u6f s VAL 132 Cb 0.01 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1u6f s VAL 132 CO 0.26 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 1u6f n GLY 133 N 1.96 -0.05 3.56 2.32 0.00 -1.26 -5.04 105.19 106.68 1u6f n GLY 133 Ca -0.17 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1u6f n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u6f n ASP 134 N -1.52 2.26 0.00 1.61 8.00 -1.26 -4.66 116.55 120.98 1u6f n ASP 134 Ca 0.00 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 52.89 1u6f n ASP 134 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 39.42 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u6f n GLY 135 N 5.86 2.64 3.11 0.44 0.00 -1.26 -5.05 105.19 110.93 1u6f n GLY 135 Ca 0.44 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1u6f n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u6f s ASN 136 N 0.00 4.63 0.17 1.61 2.47 -1.26 -5.11 114.94 117.45 1u6f s ASN 136 Ca 0.00 -1.39 0.03 0.00 0.42 0.00 0.00 52.86 51.92 1u6f s ASN 136 Cb 0.00 -1.61 -0.03 0.00 -1.45 0.00 0.00 41.25 38.15 1u6f s ASN 136 CO 0.00 -0.23 0.31 -0.83 -3.72 0.00 0.00 177.10 172.63 1u6f s GLY 137 N 1.16 1.59 0.00 1.21 0.00 -1.26 -4.73 107.32 105.29 1u6f s GLY 137 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1u6f s GLY 137 CO -0.04 -1.07 0.00 -1.72 0.00 0.00 0.00 173.10 170.27 1u6f n TYR 138 N -0.76 0.00 0.26 1.90 4.01 -1.26 -5.24 117.16 116.07 1u6f n TYR 138 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 1u6f n TYR 138 Cb 0.55 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.70 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68