#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f s SER 2 N 0.00 7.38 -0.14 6.12 0.01 -1.26 -4.64 113.70 121.17 1u6f s SER 2 Ca 0.00 1.84 -0.10 0.00 1.31 0.00 0.00 55.95 59.01 1u6f s SER 2 Cb 0.00 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.69 1u6f s SER 2 CO 0.00 -0.03 0.19 1.67 0.41 0.00 0.00 173.24 175.48 1u6f n GLN 3 N 0.69 -4.76 -2.80 12.44 7.27 -1.26 -5.04 117.38 123.92 1u6f n GLN 3 Ca 0.01 3.55 -0.10 0.00 0.07 0.00 0.00 57.00 60.53 1u6f n GLN 3 Cb 0.50 -4.99 0.03 0.00 2.41 0.00 0.00 30.24 28.19 1u6f n GLN 3 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1u6f n ILE 4 N 1.73 -0.09 0.13 1.69 0.13 -1.26 -5.04 119.36 116.66 1u6f n ILE 4 Ca -0.33 -1.75 -0.14 0.00 -1.10 0.00 0.00 62.75 59.42 1u6f n ILE 4 Cb 0.51 1.06 -0.07 0.00 -0.84 0.00 0.00 39.64 40.30 1u6f n ILE 4 CO 0.00 0.00 0.00 -0.65 2.80 0.00 0.00 176.55 178.70 1u6f h PRO 5 N 4.09 -0.63 -6.92 9.51 0.11 -2.00 -3.41 132.00 132.74 1u6f h PRO 5 Ca -0.11 0.04 -0.51 0.00 0.11 0.00 0.00 66.00 65.54 1u6f h PRO 5 Cb 1.02 0.14 0.05 0.00 0.11 0.00 0.00 31.00 32.32 1u6f h PRO 5 CO 0.32 -0.42 0.50 -0.51 -0.21 0.00 0.00 178.00 177.68 1u6f s LEU 6 N -10.27 4.24 -0.47 2.35 1.43 -1.26 -5.01 118.68 109.69 1u6f s LEU 6 Ca -0.16 2.33 0.06 0.00 -1.03 0.00 0.00 54.13 55.33 1u6f s LEU 6 Cb 0.07 -3.97 0.18 0.00 0.03 0.00 0.00 46.19 42.51 1u6f s LEU 6 CO 0.63 -0.59 0.61 0.54 0.23 0.00 0.00 176.35 177.77 1u6f s VAL 7 N -1.39 -0.67 0.00 -1.59 0.11 -1.26 -5.02 120.40 110.58 1u6f s VAL 7 Ca 0.55 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1u6f s VAL 7 Cb -0.30 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1u6f s VAL 7 CO 0.39 -0.31 0.00 -1.20 -3.33 0.00 0.00 175.10 170.65 1u6f n SER 8 N 3.20 0.00 0.00 3.54 7.64 -1.26 -4.82 113.62 121.92 1u6f n SER 8 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1u6f n SER 8 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1u6f n SER 8 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u6f n GLN 9 N 0.00 0.00 -3.54 1.43 0.00 -1.26 -4.67 117.38 109.34 1u6f n GLN 9 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.89 1u6f n GLN 9 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1u6f n GLN 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1u6f n TYR 10 N 0.00 -1.67 -3.67 3.69 4.01 -1.26 -5.13 117.16 113.13 1u6f n TYR 10 Ca 0.00 -1.86 -0.38 0.00 -0.16 0.00 0.00 57.90 55.50 1u6f n TYR 10 Cb 0.00 0.61 -0.10 0.00 -0.31 0.00 0.00 39.34 39.54 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1u6f s ASP 11 N -2.84 5.45 0.60 7.72 1.01 -1.26 -4.94 116.67 122.41 1u6f s ASP 11 Ca 0.20 -2.33 0.28 0.00 0.71 0.00 0.00 52.55 51.42 1u6f s ASP 11 Cb -0.02 -1.91 1.40 0.00 1.01 0.00 0.00 42.92 43.40 1u6f s ASP 11 CO 0.15 -0.52 1.81 -0.65 0.21 0.00 0.00 175.17 176.16 1u6f h PRO 12 N 7.78 0.00 -0.55 8.23 0.11 -1.97 -0.91 132.00 144.70 1u6f h PRO 12 Ca -0.10 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.08 1u6f h PRO 12 Cb 1.02 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1u6f h PRO 12 CO 0.75 0.00 0.24 1.88 -0.21 0.00 0.00 178.00 180.66 1u6f h TYR 13 N 0.00 0.44 -0.93 0.65 0.05 -2.05 -1.91 116.97 113.22 1u6f h TYR 13 Ca 0.22 0.02 -0.57 0.00 0.05 0.00 0.00 58.73 58.46 1u6f h TYR 13 Cb 1.37 -0.12 -0.28 0.00 1.01 0.00 0.00 36.73 38.72 1u6f h TYR 13 CO 0.00 0.18 0.74 0.41 -1.05 0.00 0.00 178.16 178.43 1u6f n GLY 14 N -1.27 5.11 3.27 3.88 0.00 -0.35 -4.85 105.19 110.99 1u6f n GLY 14 Ca 0.06 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.95 1u6f n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u6f s GLN 15 N -3.36 3.06 -0.41 1.61 2.00 -0.72 -5.02 119.66 116.82 1u6f s GLN 15 Ca 0.57 -2.09 -0.16 0.00 -2.00 0.00 0.00 55.36 51.69 1u6f s GLN 15 Cb 0.46 -4.21 0.02 0.00 0.80 0.00 0.00 33.01 30.08 1u6f s GLN 15 CO 0.04 -1.27 0.35 0.95 -0.50 0.00 0.00 175.29 174.85 1u6f s THR 16 N 0.85 5.20 1.08 -0.34 -4.23 -1.26 -5.06 115.64 111.87 1u6f s THR 16 Ca 0.10 -0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 59.95 1u6f s THR 16 Cb -0.21 -3.96 0.23 0.00 1.34 0.00 0.00 72.50 69.90 1u6f s THR 16 CO -0.03 -0.33 1.08 0.00 -0.54 0.00 0.00 174.62 174.80 1u6f s ALA 17 N 1.85 0.61 0.18 3.99 0.00 -1.26 -5.05 121.76 122.08 1u6f s ALA 17 Ca 0.08 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.61 1u6f s ALA 17 Cb -0.18 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1u6f s ALA 17 CO 0.11 -3.18 0.18 -1.14 0.00 0.00 0.00 175.76 171.73 1u6f s GLN 18 N -4.98 3.02 0.00 0.00 2.00 -1.26 -4.92 119.66 113.52 1u6f s GLN 18 Ca 0.67 -0.86 0.00 0.00 -2.00 0.00 0.00 55.36 53.17 1u6f s GLN 18 Cb -0.18 -2.69 0.00 0.00 0.80 0.00 0.00 33.01 30.94 1u6f s GLN 18 CO 0.58 0.47 0.00 1.28 -0.50 0.00 0.00 175.29 177.12 1u6f n LEU 19 N -0.60 0.00 -2.49 3.68 4.77 -1.26 -5.01 117.00 116.08 1u6f n LEU 19 Ca -0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.73 1u6f n LEU 19 Cb 0.55 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1u6f n LEU 19 CO 0.44 0.00 0.11 0.00 -1.33 0.00 0.00 177.39 176.61 1u6f n GLN 20 N -0.42 -4.78 -4.44 3.23 6.02 -1.26 -5.02 117.38 110.71 1u6f n GLN 20 Ca 0.00 0.61 -0.28 0.00 -0.01 0.00 0.00 57.00 57.32 1u6f n GLN 20 Cb 0.00 -4.92 -0.07 0.00 1.02 0.00 0.00 30.24 26.27 1u6f n GLN 20 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u6f n GLN 21 N -3.44 0.71 0.07 -1.09 -0.06 -1.26 -5.08 117.38 107.22 1u6f n GLN 21 Ca -0.03 -3.44 -0.10 0.00 -2.00 0.00 0.00 57.00 51.43 1u6f n GLN 21 Cb 0.56 1.39 -0.07 0.00 -4.06 0.00 0.00 30.24 28.06 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1u6f h LEU 22 N 0.00 -0.21 2.35 1.69 3.38 -2.06 -3.47 115.31 116.99 1u6f h LEU 22 Ca -0.36 -0.31 -0.41 0.00 0.09 0.00 0.00 57.88 56.89 1u6f h LEU 22 Cb 1.20 0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.01 1u6f h LEU 22 CO 0.58 0.33 -0.56 1.67 0.09 0.00 0.00 178.44 180.55 1u6f n GLN 23 N -4.94 -2.73 -3.63 1.13 7.27 -1.26 -4.98 117.38 108.23 1u6f n GLN 23 Ca -0.08 0.97 -0.21 0.00 0.07 0.00 0.00 57.00 57.76 1u6f n GLN 23 Cb 0.26 -5.71 -0.03 0.00 2.41 0.00 0.00 30.24 27.17 1u6f n GLN 23 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1u6f s GLN 24 N -5.26 2.54 -0.14 3.69 -0.21 -1.26 -5.13 119.66 113.88 1u6f s GLN 24 Ca 0.10 -1.52 -0.04 0.00 0.02 0.00 0.00 55.36 53.91 1u6f s GLN 24 Cb -0.04 -2.36 0.07 0.00 1.00 0.00 0.00 33.01 31.67 1u6f s GLN 24 CO 0.12 -0.15 0.17 -1.14 -2.12 0.00 0.00 175.29 172.17 1u6f s GLN 25 N -4.10 0.09 -0.72 2.91 0.74 -1.26 -5.03 119.66 112.30 1u6f s GLN 25 Ca 0.47 0.32 -0.02 0.00 0.05 0.00 0.00 55.36 56.18 1u6f s GLN 25 Cb -0.03 -0.88 0.42 0.00 1.10 0.00 0.00 33.01 33.62 1u6f s GLN 25 CO 0.27 -0.50 2.03 0.94 -0.55 0.00 0.00 175.29 177.48 1u6f n GLN 26 N 5.31 2.72 -3.29 1.67 -0.06 -1.26 -4.90 117.38 117.58 1u6f n GLN 26 Ca -0.05 -3.37 -0.46 0.00 -2.00 0.00 0.00 57.00 51.12 1u6f n GLN 26 Cb 0.50 -2.28 -0.05 0.00 -4.06 0.00 0.00 30.24 24.35 1u6f n GLN 26 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1u6f s GLN 27 N -3.90 3.06 0.64 3.69 -0.44 -1.26 -4.96 119.66 116.50 1u6f s GLN 27 Ca 0.61 -1.75 0.00 0.00 -2.50 0.00 0.00 55.36 51.72 1u6f s GLN 27 Cb 0.49 -4.31 0.00 0.00 -1.64 0.00 0.00 33.01 27.55 1u6f s GLN 27 CO -0.13 -1.35 0.00 0.94 0.50 0.00 0.00 175.29 175.25 1u6f n GLN 28 N 5.24 -3.48 -3.00 1.67 -0.06 -1.26 -4.74 117.38 111.76 1u6f n GLN 28 Ca -0.11 2.84 -0.42 0.00 -2.00 0.00 0.00 57.00 57.32 1u6f n GLN 28 Cb 0.41 -4.01 -0.05 0.00 -4.06 0.00 0.00 30.24 22.52 1u6f n GLN 28 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1u6f s HIS 29 N -4.42 3.21 -0.43 3.69 3.76 -1.26 -4.98 115.29 114.86 1u6f s HIS 29 Ca 0.00 0.76 0.06 0.00 -0.15 0.00 0.00 55.06 55.72 1u6f s HIS 29 Cb 0.00 -3.13 0.20 0.00 1.11 0.00 0.00 32.58 30.75 1u6f s HIS 29 CO 0.00 -0.53 0.48 -0.89 -0.85 0.00 0.00 174.74 172.95 1u6f n ILE 30 N 5.47 -0.83 -1.35 0.60 5.41 -1.26 -5.14 119.36 122.26 1u6f n ILE 30 Ca 0.02 -3.06 -0.29 0.00 1.00 0.00 0.00 62.75 60.43 1u6f n ILE 30 Cb 0.48 -1.10 0.16 0.00 -0.71 0.00 0.00 39.64 38.47 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 -0.07 0.69 -0.23 0.38 0.04 -1.26 -4.93 135.00 129.62 1u6f s PRO 31 Ca 0.33 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 1u6f s PRO 31 Cb 0.08 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.93 1u6f s PRO 31 CO -0.16 -2.52 2.29 -0.35 0.04 0.00 0.00 177.00 176.30 1u6f n PRO 32 N -4.01 1.72 -3.42 0.56 -0.04 -1.26 -4.61 135.00 123.95 1u6f n PRO 32 Ca 0.06 -1.24 -0.27 0.00 -0.04 0.00 0.00 63.50 62.01 1u6f n PRO 32 Cb 0.58 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1u6f n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1u6f n THR 33 N 0.93 2.11 -0.04 0.52 -1.04 -1.26 -4.78 114.28 110.72 1u6f n THR 33 Ca 0.27 -5.12 -0.05 0.00 -2.04 0.00 0.00 64.05 57.10 1u6f n THR 33 Cb 0.59 -2.09 -0.04 0.00 -1.82 0.00 0.00 70.33 66.97 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 0.92 0.46 0.02 -2.82 10.64 -1.26 -4.69 117.38 120.65 1u6f n GLN 34 Ca 0.29 0.04 -0.09 0.00 -1.83 0.00 0.00 57.00 55.41 1u6f n GLN 34 Cb 0.42 -1.16 -0.13 0.00 -0.86 0.00 0.00 30.24 28.50 1u6f n GLN 34 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 1u6f h MET 35 N 0.00 0.03 -5.52 2.61 2.86 -1.99 -3.49 114.93 109.43 1u6f h MET 35 Ca -0.18 -0.05 -0.30 0.00 -2.06 0.00 0.00 59.70 57.11 1u6f h MET 35 Cb 1.29 0.02 0.18 0.00 0.06 0.00 0.00 31.60 33.15 1u6f h MET 35 CO -0.02 0.78 -0.78 0.09 1.06 0.00 0.00 176.91 178.03 1u6f n ASN 36 N -3.22 -3.50 -3.26 1.22 3.02 -1.26 -4.85 115.26 103.41 1u6f n ASN 36 Ca -0.10 -0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 53.52 1u6f n ASN 36 Cb 1.00 -5.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.08 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1u6f n PRO 37 N -3.79 2.72 -3.65 3.52 -0.04 -1.26 -4.89 135.00 127.61 1u6f n PRO 37 Ca -0.21 -1.79 -0.37 0.00 -0.04 0.00 0.00 63.50 61.08 1u6f n PRO 37 Cb 0.65 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.38 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 2.98 3.99 0.50 0.54 0.41 -1.26 -4.97 118.70 120.88 1u6f s GLU 38 Ca 0.52 -0.31 0.30 0.00 -0.41 0.00 0.00 54.97 55.08 1u6f s GLU 38 Cb 0.13 -3.56 1.07 0.00 -1.78 0.00 0.00 34.13 29.99 1u6f s GLU 38 CO -0.04 -0.05 1.87 -1.00 -0.49 0.00 0.00 175.26 175.55 1u6f h PRO 39 N 7.89 0.00 -0.33 0.39 0.13 -1.97 -3.13 132.00 134.98 1u6f h PRO 39 Ca -0.37 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.86 1u6f h PRO 39 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1u6f h PRO 39 CO 0.61 0.00 0.32 0.22 -0.23 0.00 0.00 178.00 178.92 1u6f h ASP 40 N 0.00 0.00 0.00 1.44 1.82 -1.99 -3.27 116.42 114.42 1u6f h ASP 40 Ca 0.00 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 56.15 1u6f h ASP 40 Cb 0.63 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.67 1u6f h ASP 40 CO 0.00 0.00 2.45 1.33 -1.61 0.00 0.00 179.24 181.41 1u6f n VAL 41 N -3.88 2.12 -0.07 2.25 0.24 -1.19 -4.11 118.33 113.70 1u6f n VAL 41 Ca 0.05 -1.49 -0.08 0.00 -2.04 0.00 0.00 64.34 60.78 1u6f n VAL 41 Cb 0.48 -2.20 -0.10 0.00 -1.47 0.00 0.00 33.84 30.55 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 5.65 0.65 0.01 1.34 4.77 -1.24 -4.40 117.00 123.78 1u6f n LEU 42 Ca 0.46 -0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 1u6f n LEU 42 Cb 0.25 0.13 0.26 0.00 -2.33 0.00 0.00 43.42 41.73 1u6f n LEU 42 CO 0.85 0.44 0.69 -2.11 -1.33 0.00 0.00 177.39 175.93 1u6f n ARG 43 N -2.63 0.01 -2.32 3.23 1.85 -1.26 -4.58 116.66 110.96 1u6f n ARG 43 Ca -0.25 0.31 -0.42 0.00 -1.00 0.00 0.00 57.85 56.50 1u6f n ARG 43 Cb 0.93 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.80 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 -3.05 6.08 -0.22 2.89 2.47 -1.26 -2.12 114.94 119.71 1u6f s ASN 44 Ca 0.05 0.47 -0.03 0.00 0.42 0.00 0.00 52.86 53.77 1u6f s ASN 44 Cb 0.08 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 1u6f s ASN 44 CO 0.22 -1.71 -0.06 -0.76 -3.72 0.00 0.00 177.10 171.06 1u6f s LEU 45 N 6.26 2.85 -0.45 3.21 1.43 -0.67 -2.75 118.68 128.56 1u6f s LEU 45 Ca 0.57 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 1u6f s LEU 45 Cb -0.12 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1u6f s LEU 45 CO 0.27 -0.04 0.68 -0.32 0.23 0.00 0.00 176.35 177.17 1u6f s MET 46 N 1.43 3.29 -0.13 1.70 -2.45 0.34 0.49 119.30 123.98 1u6f s MET 46 Ca 0.05 -0.35 -0.05 0.00 -1.25 0.00 0.00 55.69 54.09 1u6f s MET 46 Cb -0.14 -3.96 -0.04 0.00 1.25 0.00 0.00 34.83 31.94 1u6f s MET 46 CO -0.05 -1.07 0.04 0.14 1.05 0.00 0.00 175.02 175.13 1u6f s VAL 47 N 2.95 4.59 -0.03 10.11 -7.23 0.55 0.24 120.40 131.58 1u6f s VAL 47 Ca 0.24 -0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 1u6f s VAL 47 Cb -0.14 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.81 1u6f s VAL 47 CO 0.19 0.55 -0.08 0.21 -0.31 0.00 0.00 175.10 175.66 1u6f s ASN 48 N -0.34 1.13 0.30 4.85 3.84 0.12 0.13 114.94 124.97 1u6f s ASN 48 Ca 0.08 -0.17 0.00 0.00 0.21 0.00 0.00 52.86 52.98 1u6f s ASN 48 Cb -0.12 -0.38 0.00 0.00 -0.55 0.00 0.00 41.25 40.20 1u6f s ASN 48 CO 0.02 0.03 0.00 0.00 -2.79 0.00 0.00 177.10 174.36 1u6f n TYR 49 N 3.51 -3.84 -4.01 0.43 4.19 -1.26 -1.57 117.16 114.61 1u6f n TYR 49 Ca -0.20 1.04 -0.30 0.00 3.31 0.00 0.00 57.90 61.75 1u6f n TYR 49 Cb 0.53 2.75 -0.06 0.00 0.49 0.00 0.00 39.34 43.06 1u6f n TYR 49 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1u6f s ILE 50 N -1.86 4.82 0.00 2.97 1.01 -1.26 -4.88 121.20 122.00 1u6f s ILE 50 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1u6f s ILE 50 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1u6f s ILE 50 CO 0.00 0.12 0.00 -0.81 0.00 0.00 0.00 174.94 174.25 1u6f n PRO 51 N 0.37 0.00 0.10 2.79 -0.04 -1.26 -4.13 135.00 132.83 1u6f n PRO 51 Ca -0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1u6f n PRO 51 Cb 0.51 -0.15 -0.01 0.00 -0.04 0.00 0.00 33.50 33.81 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 1.37 -0.37 0.52 2.02 -1.97 -3.19 112.91 111.29 1u6f h THR 52 Ca 0.00 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.39 1u6f h THR 52 Cb 0.00 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1u6f h THR 52 CO 0.00 0.75 0.00 0.35 0.37 0.00 0.00 175.52 176.99 1u6f n THR 53 N -3.37 1.05 -2.00 3.16 -2.24 -1.26 -4.88 114.28 104.73 1u6f n THR 53 Ca 0.00 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 1u6f n THR 53 Cb 0.81 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1u6f n THR 53 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u6f s VAL 54 N -1.71 3.41 -0.10 2.28 0.11 -1.20 -4.89 120.40 118.30 1u6f s VAL 54 Ca 0.29 0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.71 1u6f s VAL 54 Cb 0.19 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 31.26 1u6f s VAL 54 CO 0.14 -0.62 -0.16 -1.81 -3.33 0.00 0.00 175.10 169.32 1u6f s ASP 55 N 7.23 3.83 0.56 3.54 1.01 -1.26 -4.97 116.67 126.62 1u6f s ASP 55 Ca 0.75 -0.33 0.32 0.00 0.71 0.00 0.00 52.55 53.99 1u6f s ASP 55 Cb -0.17 -1.29 1.66 0.00 1.01 0.00 0.00 42.92 44.12 1u6f s ASP 55 CO 0.27 0.22 2.14 1.05 0.21 0.00 0.00 175.17 179.07 1u6f h GLU 56 N 6.25 0.00 0.24 8.23 4.11 -1.93 -2.66 114.58 128.83 1u6f h GLU 56 Ca -0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.10 1u6f h GLU 56 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1u6f h GLU 56 CO 0.52 0.07 -0.12 0.28 0.07 0.00 0.00 179.01 179.84 1u6f h VAL 57 N 0.00 0.52 -0.99 -1.06 2.07 -1.97 0.48 116.25 115.29 1u6f h VAL 57 Ca -0.00 -0.93 0.18 0.00 0.82 0.00 0.00 66.70 66.76 1u6f h VAL 57 Cb 0.26 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 1u6f h VAL 57 CO 0.01 0.13 0.62 -0.61 0.02 0.00 0.00 177.57 177.74 1u6f h GLN 58 N -0.97 0.75 0.00 1.57 -0.00 -1.93 0.63 115.11 115.17 1u6f h GLN 58 Ca -0.03 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.45 1u6f h GLN 58 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1u6f h GLN 58 CO 0.05 0.50 -0.58 -0.07 0.00 0.00 0.00 178.83 178.73 1u6f h LEU 59 N 0.77 0.00 0.47 -2.39 3.38 -1.51 -2.66 115.31 113.37 1u6f h LEU 59 Ca 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 1u6f h LEU 59 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1u6f h LEU 59 CO -0.33 0.58 -0.23 -0.09 0.09 0.00 0.00 178.44 178.46 1u6f h ARG 60 N 0.00 -0.61 -0.29 1.13 1.12 0.52 1.17 114.38 117.42 1u6f h ARG 60 Ca -0.01 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 1u6f h ARG 60 Cb 1.36 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 31.44 1u6f h ARG 60 CO 0.08 -0.37 0.03 1.96 -3.11 0.00 0.00 179.97 178.56 1u6f h GLN 61 N -0.71 0.50 -0.53 0.20 4.20 -1.24 1.24 115.11 118.77 1u6f h GLN 61 Ca -0.06 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1u6f h GLN 61 Cb 0.52 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1u6f h GLN 61 CO 0.11 0.62 0.16 1.25 -0.67 0.00 0.00 178.83 180.29 1u6f h LEU 62 N 0.31 0.78 0.01 1.46 5.85 -1.41 -2.05 115.31 120.26 1u6f h LEU 62 Ca 0.09 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1u6f h LEU 62 Cb 0.37 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1u6f h LEU 62 CO 0.01 0.79 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.09 1u6f h PHE 63 N 0.74 0.03 -0.25 1.25 0.04 0.15 -3.33 116.94 115.57 1u6f h PHE 63 Ca 0.17 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.99 1u6f h PHE 63 Cb 0.29 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1u6f h PHE 63 CO 0.02 1.21 0.29 1.05 -0.60 0.00 0.00 178.31 180.28 1u6f h GLU 64 N -0.96 0.00 -0.38 1.51 4.11 0.15 -0.63 114.58 118.37 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 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1u6f h GLU 64 CO -0.08 0.00 0.23 -0.09 0.07 0.00 0.00 179.01 179.14 1u6f h ARG 65 N 0.00 0.45 0.00 1.06 1.12 -1.47 -1.68 114.38 113.86 1u6f h ARG 65 Ca 0.12 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1u6f h ARG 65 Cb 0.69 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 1u6f h ARG 65 CO -0.00 0.30 -0.15 0.66 -3.11 0.00 0.00 179.97 177.66 1u6f n TYR 66 N -4.87 0.10 0.00 2.20 4.01 -0.32 -4.77 117.16 113.51 1u6f n TYR 66 Ca 0.01 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1u6f n TYR 66 Cb 0.06 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1u6f n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u6f n GLY 67 N 1.48 -0.83 3.67 2.72 0.00 -0.71 -4.68 105.19 106.84 1u6f n GLY 67 Ca 0.06 0.90 -0.62 0.00 0.00 0.00 0.00 46.02 46.36 1u6f n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u6f n PRO 68 N 0.00 0.57 -2.83 1.61 -0.02 -0.73 -4.04 135.00 129.56 1u6f n PRO 68 Ca 0.00 0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 61.32 1u6f n PRO 68 Cb 0.00 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.79 4.30 -0.22 4.25 -4.36 -1.26 -1.56 121.20 126.15 1u6f s ILE 69 Ca 1.04 1.67 -0.18 0.00 -0.26 0.00 0.00 60.65 62.92 1u6f s ILE 69 Cb -1.28 -3.88 -0.15 0.00 1.25 0.00 0.00 42.46 38.41 1u6f s ILE 69 CO 0.72 0.02 -0.02 1.21 0.24 0.00 0.00 174.94 177.10 1u6f n GLU 70 N 0.23 0.56 -3.58 0.37 0.00 0.21 -4.68 120.64 113.75 1u6f n GLU 70 Ca 0.03 0.46 -0.27 0.00 0.00 0.00 0.00 57.16 57.38 1u6f n GLU 70 Cb 0.51 -1.65 -0.16 0.00 0.00 0.00 0.00 31.44 30.14 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1u6f s SER 71 N -6.91 2.88 0.08 4.31 0.01 -0.99 -5.03 113.70 108.05 1u6f s SER 71 Ca -0.31 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.07 1u6f s SER 71 Cb 0.08 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1u6f s SER 71 CO 0.52 -0.39 0.05 0.54 0.41 0.00 0.00 173.24 174.37 1u6f s VAL 72 N 2.12 4.36 0.22 3.43 0.11 -1.26 -0.98 120.40 128.39 1u6f s VAL 72 Ca 0.05 -0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 58.09 1u6f s VAL 72 Cb -0.16 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.62 1u6f s VAL 72 CO -0.21 0.13 0.55 -0.75 -3.33 0.00 0.00 175.10 171.49 1u6f s LYS 73 N -2.35 1.49 0.01 1.54 2.20 0.48 -4.92 119.74 118.18 1u6f s LYS 73 Ca 0.28 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 55.01 1u6f s LYS 73 Cb -0.12 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1u6f s LYS 73 CO 0.21 -0.64 -0.21 0.42 -0.36 0.00 0.00 175.35 174.76 1u6f s ILE 74 N -3.91 2.51 -0.32 5.43 1.01 -1.26 0.22 121.20 124.88 1u6f s ILE 74 Ca 0.12 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 1u6f s ILE 74 Cb -0.02 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1u6f s ILE 74 CO 0.01 0.46 0.25 -0.69 0.00 0.00 0.00 174.94 174.97 1u6f s VAL 75 N -0.78 5.27 0.51 2.92 1.01 0.39 -4.76 120.40 124.95 1u6f s VAL 75 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1u6f s VAL 75 Cb -0.10 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.71 1u6f s VAL 75 CO 0.02 0.05 0.69 0.00 0.00 0.00 0.00 175.10 175.86 1u6f s ASP 77 N -3.54 5.54 0.01 0.00 1.01 -0.05 -4.74 116.67 114.91 1u6f s ASP 77 Ca 0.39 -0.10 0.18 0.00 0.71 0.00 0.00 52.55 53.73 1u6f s ASP 77 Cb -0.01 -2.01 0.75 0.00 1.01 0.00 0.00 42.92 42.66 1u6f s ASP 77 CO 0.28 -0.02 1.56 -2.11 0.21 0.00 0.00 175.17 175.09 1u6f n ARG 78 N 4.86 0.01 -0.03 8.23 0.00 -1.26 0.11 116.66 128.57 1u6f n ARG 78 Ca -0.15 0.21 -0.13 0.00 -0.00 0.00 0.00 57.85 57.78 1u6f n ARG 78 Cb 0.52 -1.51 -0.11 0.00 -0.00 0.00 0.00 32.46 31.36 1u6f n ARG 78 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1u6f h GLU 79 N 0.00 -0.03 -0.01 2.89 4.81 -1.96 -3.37 114.58 116.91 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 0.30 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1u6f h GLU 79 CO 0.00 0.67 -0.03 0.25 -0.73 0.00 0.00 179.01 179.18 1u6f n THR 80 N -4.75 0.00 -2.59 0.32 -2.24 -1.20 -4.98 114.28 98.84 1u6f n THR 80 Ca -0.09 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.00 1u6f n THR 80 Cb 0.35 1.19 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u6f n ARG 81 N 0.44 -2.66 -4.12 -0.78 5.12 0.29 -4.98 116.66 109.97 1u6f n ARG 81 Ca 0.05 0.95 -0.36 0.00 -1.93 0.00 0.00 57.85 56.57 1u6f n ARG 81 Cb 0.24 -5.64 -0.08 0.00 -1.16 0.00 0.00 32.46 25.81 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 -5.23 3.33 -0.82 5.56 -1.52 -1.14 -4.86 119.66 114.97 1u6f s GLN 82 Ca 0.10 -0.29 -0.26 0.00 -1.95 0.00 0.00 55.36 52.96 1u6f s GLN 82 Cb -0.04 -3.02 -0.21 0.00 -0.22 0.00 0.00 33.01 29.52 1u6f s GLN 82 CO 0.12 0.66 1.91 0.43 -0.25 0.00 0.00 175.29 178.16 1u6f n SER 83 N 2.32 2.02 -1.40 5.90 7.64 -1.26 -0.87 113.62 127.96 1u6f n SER 83 Ca -0.19 -2.59 -0.03 0.00 1.01 0.00 0.00 58.87 57.07 1u6f n SER 83 Cb 0.54 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.38 1u6f n SER 83 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1u6f n ARG 84 N 7.93 0.12 0.00 1.43 1.74 -1.26 -4.73 116.66 121.89 1u6f n ARG 84 Ca 0.45 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1u6f n ARG 84 Cb 0.44 0.53 0.00 0.00 -1.02 0.00 0.00 32.46 32.42 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 -0.12 1.95 3.83 -0.13 0.00 -1.24 -3.29 105.19 106.20 1u6f n GLY 85 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 0.10 1.61 -0.85 -1.09 -4.61 117.35 112.52 1u6f s TYR 86 Ca 0.00 -0.25 0.07 0.00 -0.52 0.00 0.00 57.07 56.38 1u6f s TYR 86 Cb 0.00 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1u6f s TYR 86 CO 0.00 -0.58 -0.19 0.20 -1.52 0.00 0.00 175.55 173.46 1u6f s GLY 87 N -3.35 1.13 -0.19 5.49 0.00 0.35 0.15 107.32 110.90 1u6f s GLY 87 Ca 0.21 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.68 1u6f s GLY 87 CO 0.01 -1.20 0.03 -1.36 0.00 0.00 0.00 173.10 170.57 1u6f s PHE 88 N -1.27 3.13 -0.18 1.90 0.40 0.59 0.20 117.98 122.76 1u6f s PHE 88 Ca 0.05 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1u6f s PHE 88 Cb -0.10 -2.07 0.03 0.00 0.51 0.00 0.00 43.02 41.40 1u6f s PHE 88 CO 0.04 -0.02 -0.13 0.54 0.70 0.00 0.00 175.22 176.34 1u6f s VAL 89 N 0.62 1.68 -0.40 -0.44 0.11 0.18 0.18 120.40 122.34 1u6f s VAL 89 Ca 0.01 -0.85 -0.18 0.00 -2.93 0.00 0.00 61.98 58.04 1u6f s VAL 89 Cb -0.14 -1.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 1u6f s VAL 89 CO 0.02 0.34 0.47 -0.75 -3.33 0.00 0.00 175.10 171.86 1u6f s LYS 90 N 1.42 3.32 0.67 1.54 2.20 -0.16 -1.68 119.74 127.05 1u6f s LYS 90 Ca 0.02 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.99 1u6f s LYS 90 Cb -0.14 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1u6f s LYS 90 CO -0.10 -0.78 1.07 -0.06 -0.36 0.00 0.00 175.35 175.13 1u6f s PHE 91 N 2.28 2.91 0.61 4.03 0.40 -0.90 -0.62 117.98 126.68 1u6f s PHE 91 Ca 0.15 1.49 0.28 0.00 -0.60 0.00 0.00 56.93 58.26 1u6f s PHE 91 Cb -0.16 -2.99 1.44 0.00 0.51 0.00 0.00 43.02 41.82 1u6f s PHE 91 CO 0.14 -1.36 1.85 1.96 0.70 0.00 0.00 175.22 178.50 1u6f h GLN 92 N -0.34 0.00 -2.00 0.44 1.08 -1.56 -3.39 115.11 109.35 1u6f h GLN 92 Ca -0.45 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.69 1u6f h GLN 92 Cb 1.22 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.46 1u6f h GLN 92 CO 0.56 0.00 0.18 -1.12 -0.95 0.00 0.00 178.83 177.50 1u6f s SER 93 N -4.92 -0.68 0.45 1.46 0.01 -1.26 -4.91 113.70 103.85 1u6f s SER 93 Ca -0.04 0.85 0.20 0.00 1.31 0.00 0.00 55.95 58.27 1u6f s SER 93 Cb 0.14 0.71 1.17 0.00 0.21 0.00 0.00 66.02 68.25 1u6f s SER 93 CO 0.48 -0.54 1.91 1.23 0.41 0.00 0.00 173.24 176.73 1u6f h GLY 94 N 3.36 0.56 2.00 3.44 0.00 -1.82 0.64 103.07 111.26 1u6f h GLY 94 Ca -0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1u6f h GLY 94 CO 0.33 0.02 -0.03 1.48 0.00 0.00 0.00 176.54 178.34 1u6f h SER 95 N 0.29 0.00 1.01 0.19 4.64 -1.93 -1.18 113.55 116.57 1u6f h SER 95 Ca 0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1u6f h SER 95 Cb 1.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1u6f h SER 95 CO -0.10 0.03 -0.85 0.28 -0.87 0.00 0.00 176.83 175.32 1u6f h SER 96 N 0.00 0.00 -0.53 4.97 0.02 -0.08 -3.22 113.55 114.71 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 0.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1u6f h SER 96 CO 0.00 0.85 0.36 0.00 -1.14 0.00 0.00 176.83 176.90 1u6f h ALA 97 N 1.15 1.87 -0.90 3.77 0.00 -1.12 -0.82 119.26 123.21 1u6f h ALA 97 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u6f h ALA 97 Cb 1.58 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1u6f h ALA 97 CO 0.11 0.04 0.60 1.96 0.00 0.00 0.00 179.25 181.96 1u6f h GLN 98 N 0.49 1.18 -0.02 0.00 1.08 -1.62 0.21 115.11 116.43 1u6f h GLN 98 Ca 0.23 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.20 1u6f h GLN 98 Cb 0.28 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1u6f h GLN 98 CO -0.06 0.78 -0.69 1.96 -0.95 0.00 0.00 178.83 179.86 1u6f h GLN 99 N 1.21 0.12 0.27 1.46 1.08 -1.33 -1.68 115.11 116.24 1u6f h GLN 99 Ca 0.34 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1u6f h GLN 99 Cb -0.12 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1u6f h GLN 99 CO -0.08 0.76 -0.13 0.00 -0.95 0.00 0.00 178.83 178.44 1u6f h ALA 100 N 1.21 -0.36 0.00 3.87 0.00 -0.56 -1.90 119.26 121.52 1u6f h ALA 100 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1u6f h ALA 100 Cb 1.23 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1u6f h ALA 100 CO 0.10 -0.44 -0.03 0.82 0.00 0.00 0.00 179.25 179.69 1u6f h ILE 101 N -0.88 0.63 -0.05 0.00 1.08 -0.69 1.28 117.51 118.89 1u6f h ILE 101 Ca -0.04 -0.13 -0.10 0.00 -0.39 0.00 0.00 64.86 64.20 1u6f h ILE 101 Cb 0.51 1.08 0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1u6f h ILE 101 CO 0.06 0.03 -0.37 0.00 -0.69 0.00 0.00 178.15 177.18 1u6f h ALA 102 N 1.97 0.11 0.00 1.87 0.00 -1.23 -3.28 119.26 118.70 1u6f h ALA 102 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u6f h ALA 102 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u6f h ALA 102 CO 0.00 0.21 -0.12 0.41 0.00 0.00 0.00 179.25 179.75 1u6f n GLY 103 N 0.83 3.98 0.00 0.00 0.00 -0.72 -4.77 105.19 104.50 1u6f n GLY 103 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.12 0.24 -4.67 0.99 4.77 0.43 -4.85 117.00 112.78 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 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1u6f n LEU 104 CO 0.01 0.04 1.38 0.21 -1.33 0.00 0.00 177.39 177.70 1u6f s ASN 105 N -2.11 6.63 -0.23 -1.43 2.47 -0.74 -1.34 114.94 118.20 1u6f s ASN 105 Ca 0.00 2.35 0.00 0.00 0.42 0.00 0.00 52.86 55.63 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 -0.92 0.00 0.61 -3.72 0.00 0.00 177.10 173.07 1u6f n GLY 106 N 4.13 0.48 3.50 1.21 0.00 0.37 -4.83 105.19 110.04 1u6f n GLY 106 Ca 0.17 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.62 0.62 -1.95 1.61 7.35 -0.45 -4.50 117.46 117.52 1u6f n PHE 107 Ca -0.02 -0.02 -0.25 0.00 -0.76 0.00 0.00 57.45 56.40 1u6f n PHE 107 Cb 0.23 -1.67 -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 5.81 4.66 0.68 -2.13 4.22 -1.26 -0.84 114.94 126.07 1u6f s ASN 108 Ca 1.00 -1.36 -0.11 0.00 -2.14 0.00 0.00 52.86 50.25 1u6f s ASN 108 Cb -0.38 -2.59 -0.00 0.00 1.28 0.00 0.00 41.25 39.56 1u6f s ASN 108 CO 0.27 -3.44 1.06 -0.51 -2.04 0.00 0.00 177.10 172.44 1u6f s ILE 109 N 12.36 4.03 0.31 0.54 2.07 0.17 -4.94 121.20 135.73 1u6f s ILE 109 Ca 0.72 0.66 0.07 0.00 -1.41 0.00 0.00 60.65 60.69 1u6f s ILE 109 Cb -0.03 -3.58 0.30 0.00 0.13 0.00 0.00 42.46 39.29 1u6f s ILE 109 CO 0.13 -0.86 1.77 0.25 -1.91 0.00 0.00 174.94 174.31 1u6f h LEU 110 N -0.58 0.76 0.00 8.50 6.46 -2.04 -2.99 115.31 125.43 1u6f h LEU 110 Ca -0.45 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1u6f h LEU 110 Cb 1.22 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1u6f h LEU 110 CO 0.61 0.24 -0.00 0.78 -0.62 0.00 0.00 178.44 179.45 1u6f h ASN 111 N 0.73 -0.01 -1.36 1.25 4.21 -1.98 -3.49 115.58 114.92 1u6f h ASN 111 Ca 0.59 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1u6f h ASN 111 Cb 0.97 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 1u6f h ASN 111 CO -0.40 0.75 0.00 0.29 -1.29 0.00 0.00 177.43 176.77 1u6f n LYS 112 N -4.70 0.00 -4.05 0.81 4.76 -1.13 -5.16 118.16 108.70 1u6f n LYS 112 Ca -0.05 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.08 1u6f n LYS 112 Cb 0.25 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.28 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u6f s ARG 113 N -1.23 2.43 -1.03 1.97 3.52 -1.26 0.42 118.95 123.77 1u6f s ARG 113 Ca 0.00 -0.76 -0.24 0.00 -0.13 0.00 0.00 55.73 54.60 1u6f s ARG 113 Cb 0.00 -2.37 -0.08 0.00 -1.56 0.00 0.00 34.95 30.94 1u6f s ARG 113 CO 0.00 -0.30 1.97 -0.51 -0.81 0.00 0.00 175.30 175.65 1u6f s LEU 114 N 1.38 3.06 -0.24 -0.88 2.01 -0.02 -4.53 118.68 119.45 1u6f s LEU 114 Ca 0.03 -1.10 -0.28 0.00 0.01 0.00 0.00 54.13 52.78 1u6f s LEU 114 Cb -0.14 -2.57 0.01 0.00 0.01 0.00 0.00 46.19 43.49 1u6f s LEU 114 CO -0.10 -3.05 1.01 -0.75 1.01 0.00 0.00 176.35 174.46 1u6f s LYS 115 N 6.93 4.22 -0.11 1.70 2.20 -0.61 0.14 119.74 134.21 1u6f s LYS 115 Ca 0.71 1.26 0.01 0.00 -0.36 0.00 0.00 55.97 57.59 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 0.07 -0.64 -0.13 0.08 -0.36 0.00 0.00 175.35 174.37 1u6f s VAL 116 N 3.19 1.38 -0.03 4.02 1.01 -1.25 0.13 120.40 128.85 1u6f s VAL 116 Ca 0.43 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1u6f s VAL 116 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1u6f s VAL 116 CO 0.07 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 1u6f s ALA 117 N 1.21 0.83 -0.19 5.51 0.00 0.14 -4.73 121.76 124.53 1u6f s ALA 117 Ca -0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1u6f s ALA 117 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1u6f s ALA 117 CO -0.04 0.11 1.79 -0.51 0.00 0.00 0.00 175.76 177.11 1u6f s LEU 118 N 0.33 3.87 0.00 0.00 2.01 -1.26 0.13 118.68 123.76 1u6f s LEU 118 Ca -0.05 1.81 0.00 0.00 0.01 0.00 0.00 54.13 55.90 1u6f s LEU 118 Cb -0.10 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.58 1u6f s LEU 118 CO 0.01 -1.38 0.61 0.00 1.01 0.00 0.00 176.35 176.59 1u6f n ALA 119 N 9.01 -0.08 -1.57 4.21 0.00 -1.11 -4.38 120.51 126.60 1u6f n ALA 119 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1u6f n ALA 119 Cb 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1u6f n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6f n ALA 120 N -1.00 1.36 -2.20 0.00 0.00 -1.26 -4.56 120.51 112.84 1u6f n ALA 120 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1u6f n ALA 120 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 19.45 16.47 1u6f n ALA 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u6f n SER 121 N 13.12 -0.36 0.00 0.00 3.41 -1.26 -4.85 113.62 123.69 1u6f n SER 121 Ca 0.34 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1u6f n SER 121 Cb 0.46 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6f n GLY 122 N -0.27 1.32 2.55 5.00 0.00 -1.26 -5.08 105.19 107.45 1u6f n GLY 122 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -4.60 -4.08 1.61 -0.00 -1.26 -5.08 115.22 101.81 1u6f n HIS 123 Ca 0.00 2.69 -0.05 0.00 0.46 0.00 0.00 57.72 60.83 1u6f n HIS 123 Cb 0.00 -3.93 -0.02 0.00 -0.12 0.00 0.00 29.99 25.92 1u6f n HIS 123 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1u6f n GLN 124 N 1.74 0.46 -3.51 1.57 1.13 -1.26 -5.16 117.38 112.36 1u6f n GLN 124 Ca -0.35 -0.71 -0.21 0.00 -1.94 0.00 0.00 57.00 53.79 1u6f n GLN 124 Cb 0.55 0.49 -0.13 0.00 0.11 0.00 0.00 30.24 31.25 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1u6f s ARG 125 N -2.31 0.18 0.05 -1.09 0.52 -1.26 -5.04 118.95 110.01 1u6f s ARG 125 Ca 0.06 0.04 -0.21 0.00 -0.52 0.00 0.00 55.73 55.11 1u6f s ARG 125 Cb 0.00 -1.25 -0.13 0.00 0.52 0.00 0.00 34.95 34.09 1u6f s ARG 125 CO 0.05 -0.74 1.43 -1.00 0.02 0.00 0.00 175.30 175.05 1u6f h PRO 126 N 8.33 0.30 0.00 3.54 0.13 -2.08 -3.49 132.00 138.74 1u6f h PRO 126 Ca -0.17 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1u6f h PRO 126 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1u6f h PRO 126 CO 0.30 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1u6f n GLY 127 N -0.10 2.19 5.00 1.56 0.00 -1.26 -5.00 105.19 107.58 1u6f n GLY 127 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.11 -0.61 2.08 -1.26 -4.01 119.36 115.67 1u6f n ILE 128 Ca 0.00 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.18 1u6f n ILE 128 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1u6f h ALA 129 N 0.00 -0.29 0.00 -1.39 0.00 -2.04 -3.50 119.26 112.04 1u6f h ALA 129 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u6f h ALA 129 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u6f h ALA 129 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.15 1u6f n GLY 130 N -0.34 2.27 3.69 0.00 0.00 -1.26 -5.01 105.19 104.55 1u6f n GLY 130 Ca -0.09 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f s ALA 131 N 0.00 3.67 0.00 4.61 0.00 -1.26 -4.86 121.76 123.92 1u6f s ALA 131 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1u6f s ALA 131 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1u6f s ALA 131 CO 0.00 -1.04 0.00 1.33 0.00 0.00 0.00 175.76 176.05 1u6f n VAL 132 N 4.64 0.00 -2.76 0.00 0.24 -1.26 -5.11 118.33 114.08 1u6f n VAL 132 Ca 0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.43 1u6f n VAL 132 Cb 0.41 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u6f n GLY 133 N 3.17 -3.48 1.45 7.63 0.00 -1.26 -4.85 105.19 107.84 1u6f n GLY 133 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 0.44 -7.83 -0.57 1.61 9.92 -1.26 -5.07 116.55 113.79 1u6f n ASP 134 Ca 0.03 1.49 0.00 0.00 -0.53 0.00 0.00 54.79 55.79 1u6f n ASP 134 Cb 0.13 -4.47 0.00 0.00 -0.64 0.00 0.00 41.12 36.14 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u6f n GLY 135 N -1.89 5.12 0.12 0.44 0.00 -1.26 -5.07 105.19 102.65 1u6f n GLY 135 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1u6f n GLY 135 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u6f n ASN 136 N -1.07 0.00 0.11 1.61 6.94 -1.26 -4.96 115.26 116.63 1u6f n ASN 136 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.54 1u6f n ASN 136 Cb 0.00 0.03 0.02 0.00 -2.36 0.00 0.00 39.78 37.47 1u6f n ASN 136 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1u6f h GLY 137 N 0.00 0.00 -4.36 4.83 0.00 -2.06 -3.44 103.07 98.03 1u6f h GLY 137 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1u6f h GLY 137 CO 0.00 0.00 0.89 -1.72 0.00 0.00 0.00 176.54 175.71 1u6f n TYR 138 N -3.43 2.83 1.79 5.60 4.01 -1.26 -5.37 117.16 121.33 1u6f n TYR 138 Ca 0.00 0.24 0.15 0.00 -0.16 0.00 0.00 57.90 58.13 1u6f n TYR 138 Cb 0.78 -2.60 0.77 0.00 -0.31 0.00 0.00 39.34 37.98 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68