#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 -1.02 -3.58 6.12 2.88 -1.26 -5.11 113.62 111.65 1u6f n SER 2 Ca 0.00 0.39 -0.24 0.00 -1.33 0.00 0.00 58.87 57.69 1u6f n SER 2 Cb 0.00 1.19 -0.16 0.00 -0.75 0.00 0.00 64.21 64.50 1u6f n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1u6f s GLN 3 N -1.56 0.09 -0.07 -1.46 1.11 -1.26 -5.13 119.66 111.38 1u6f s GLN 3 Ca 0.00 0.02 -0.01 0.00 0.01 0.00 0.00 55.36 55.39 1u6f s GLN 3 Cb 0.00 -1.60 0.03 0.00 -1.01 0.00 0.00 33.01 30.43 1u6f s GLN 3 CO 0.00 -0.65 -0.02 -1.50 0.01 0.00 0.00 175.29 173.13 1u6f s ILE 4 N 2.19 0.50 0.52 1.08 2.07 -1.26 -5.14 121.20 121.16 1u6f s ILE 4 Ca 0.03 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.07 1u6f s ILE 4 Cb -0.16 -0.60 -0.06 0.00 0.13 0.00 0.00 42.46 41.77 1u6f s ILE 4 CO -0.10 0.26 1.17 -2.16 -1.91 0.00 0.00 174.94 172.21 1u6f s PRO 5 N 1.64 3.43 0.19 3.50 0.04 -1.26 -4.95 135.00 137.59 1u6f s PRO 5 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1u6f s PRO 5 Cb -0.13 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1u6f s PRO 5 CO -0.04 -0.82 0.00 1.28 0.04 0.00 0.00 177.00 177.46 1u6f n LEU 6 N -1.01 -0.15 -4.45 -3.56 4.77 -1.26 -5.11 117.00 106.23 1u6f n LEU 6 Ca 0.10 0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 56.07 1u6f n LEU 6 Cb 0.49 0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 41.75 1u6f n LEU 6 CO 0.45 -0.68 -0.45 0.54 -1.33 0.00 0.00 177.39 175.92 1u6f s VAL 7 N -1.62 3.04 0.13 4.08 0.11 -1.26 -5.04 120.40 119.84 1u6f s VAL 7 Ca 0.00 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1u6f s VAL 7 Cb 0.00 -2.21 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1u6f s VAL 7 CO 0.00 0.58 0.00 -0.24 -3.33 0.00 0.00 175.10 172.11 1u6f n SER 8 N 2.57 -6.68 0.00 3.54 2.88 -1.26 -5.00 113.62 109.67 1u6f n SER 8 Ca -0.17 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1u6f n SER 8 Cb 0.52 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1u6f n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6f n GLN 9 N -2.76 0.00 -0.08 -1.46 10.64 -1.26 -5.06 117.38 117.40 1u6f n GLN 9 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.11 1u6f n GLN 9 Cb 0.25 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.69 1u6f n GLN 9 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1u6f n TYR 10 N -0.45 -2.12 -3.73 2.61 9.36 -1.26 -4.96 117.16 116.61 1u6f n TYR 10 Ca 0.00 -0.15 -0.37 0.00 3.32 0.00 0.00 57.90 60.70 1u6f n TYR 10 Cb 0.00 -0.33 -0.11 0.00 -0.63 0.00 0.00 39.34 38.27 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1u6f s ASP 11 N -2.07 5.34 1.10 2.98 1.11 -1.26 -5.10 116.67 118.78 1u6f s ASP 11 Ca 0.15 -2.02 -0.15 0.00 0.18 0.00 0.00 52.55 50.71 1u6f s ASP 11 Cb -0.03 -1.86 0.24 0.00 1.07 0.00 0.00 42.92 42.34 1u6f s ASP 11 CO 0.12 -0.57 1.08 -2.16 1.18 0.00 0.00 175.17 174.82 1u6f s PRO 12 N 1.17 -0.43 -0.25 8.23 0.04 -1.26 -4.71 135.00 137.79 1u6f s PRO 12 Ca 0.08 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 61.45 1u6f s PRO 12 Cb -0.23 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1u6f s PRO 12 CO -0.04 -3.28 0.08 0.98 0.04 0.00 0.00 177.00 174.79 1u6f n TYR 13 N -4.53 -3.98 -2.09 0.56 9.36 -1.26 -4.85 117.16 110.37 1u6f n TYR 13 Ca 0.07 1.96 -0.43 0.00 3.32 0.00 0.00 57.90 62.83 1u6f n TYR 13 Cb 0.58 -3.87 -0.03 0.00 -0.63 0.00 0.00 39.34 35.39 1u6f n TYR 13 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1u6f s GLY 14 N -1.24 1.33 -0.55 2.98 0.00 -1.26 -4.96 107.32 103.62 1u6f s GLY 14 Ca -0.09 0.62 -0.06 0.00 0.00 0.00 0.00 44.72 45.18 1u6f s GLY 14 CO 0.75 3.00 0.39 1.62 0.00 0.00 0.00 173.10 178.86 1u6f s GLN 15 N 4.42 2.53 0.00 2.90 0.74 -1.26 -4.98 119.66 124.01 1u6f s GLN 15 Ca 0.71 -2.10 0.00 0.00 0.05 0.00 0.00 55.36 54.03 1u6f s GLN 15 Cb -0.27 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 29.98 1u6f s GLN 15 CO 0.28 -1.17 0.00 2.41 -0.55 0.00 0.00 175.29 176.26 1u6f n THR 16 N 4.29 0.00 0.00 -0.34 -1.04 -1.26 -5.10 114.28 110.83 1u6f n THR 16 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1u6f n THR 16 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6f n ALA 17 N -3.00 2.41 -0.00 2.41 0.00 -1.26 -4.92 120.51 116.15 1u6f n ALA 17 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1u6f n ALA 17 Cb 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 1u6f n ALA 17 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u6f h GLN 18 N 0.00 -0.03 -6.53 0.00 4.20 -2.04 -3.47 115.11 107.24 1u6f h GLN 18 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1u6f h GLN 18 Cb 0.80 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1u6f h GLN 18 CO 0.00 -0.02 -0.19 -0.51 -0.67 0.00 0.00 178.83 177.44 1u6f s LEU 19 N -5.70 3.99 -0.04 1.46 1.43 -1.26 -5.03 118.68 113.52 1u6f s LEU 19 Ca -0.01 0.42 0.23 0.00 -1.03 0.00 0.00 54.13 53.75 1u6f s LEU 19 Cb 0.00 -3.29 0.40 0.00 0.03 0.00 0.00 46.19 43.33 1u6f s LEU 19 CO 0.02 -0.33 1.15 1.67 0.23 0.00 0.00 176.35 179.09 1u6f n GLN 20 N -1.80 0.27 0.00 1.70 7.27 -1.26 -4.46 117.38 119.10 1u6f n GLN 20 Ca -0.04 -2.11 0.00 0.00 0.07 0.00 0.00 57.00 54.92 1u6f n GLN 20 Cb 0.56 -0.18 0.00 0.00 2.41 0.00 0.00 30.24 33.04 1u6f n GLN 20 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1u6f n GLN 21 N 0.26 0.00 -1.99 3.69 6.02 -1.26 -4.61 117.38 119.49 1u6f n GLN 21 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.76 1u6f n GLN 21 Cb 1.05 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 32.25 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u6f s LEU 22 N 0.00 3.03 -0.12 1.08 2.01 -1.26 -4.54 118.68 118.89 1u6f s LEU 22 Ca 0.00 -1.06 0.11 0.00 0.01 0.00 0.00 54.13 53.19 1u6f s LEU 22 Cb 0.00 -2.57 -0.16 0.00 0.01 0.00 0.00 46.19 43.47 1u6f s LEU 22 CO 0.00 -3.13 0.06 0.00 1.01 0.00 0.00 176.35 174.29 1u6f n GLN 23 N 8.56 1.85 -2.36 1.70 1.13 -1.26 -5.10 117.38 121.90 1u6f n GLN 23 Ca 0.43 -0.01 -0.04 0.00 -1.94 0.00 0.00 57.00 55.44 1u6f n GLN 23 Cb 0.46 -1.32 -0.03 0.00 0.11 0.00 0.00 30.24 29.46 1u6f n GLN 23 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1u6f n GLN 24 N -2.43 -4.15 0.00 -1.09 7.27 -1.26 -5.04 117.38 110.68 1u6f n GLN 24 Ca -0.19 3.15 0.00 0.00 0.07 0.00 0.00 57.00 60.03 1u6f n GLN 24 Cb 0.87 -4.41 0.00 0.00 2.41 0.00 0.00 30.24 29.10 1u6f n GLN 24 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1u6f n GLN 25 N 1.51 0.00 -2.92 3.69 3.00 -1.26 -4.79 117.38 116.61 1u6f n GLN 25 Ca -0.26 0.05 -0.44 0.00 -0.01 0.00 0.00 57.00 56.34 1u6f n GLN 25 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 30.24 30.28 1u6f n GLN 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1u6f s GLN 26 N -0.54 3.86 -0.09 -1.09 -0.21 -1.26 -4.72 119.66 115.60 1u6f s GLN 26 Ca 0.00 -2.17 -0.11 0.00 0.02 0.00 0.00 55.36 53.09 1u6f s GLN 26 Cb 0.00 -5.02 -0.04 0.00 1.00 0.00 0.00 33.01 28.95 1u6f s GLN 26 CO 0.00 -1.79 -0.22 0.94 -2.12 0.00 0.00 175.29 172.10 1u6f n GLN 27 N 6.19 0.34 0.00 2.91 7.27 -1.26 -5.05 117.38 127.77 1u6f n GLN 27 Ca 0.31 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1u6f n GLN 27 Cb 0.46 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 32.04 1u6f n GLN 27 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1u6f n GLN 28 N -3.94 0.00 -0.27 3.69 6.02 -1.26 -5.13 117.38 116.48 1u6f n GLN 28 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.86 1u6f n GLN 28 Cb 0.33 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.62 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 -1.90 -3.96 -2.37 1.08 8.25 -1.26 -4.86 115.22 110.19 1u6f n HIS 29 Ca 0.00 -0.17 -0.01 0.00 -0.26 0.00 0.00 57.72 57.28 1u6f n HIS 29 Cb 0.00 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.30 -9.55 -0.96 1.59 -0.00 -1.26 -4.88 119.36 102.00 1u6f n ILE 30 Ca 0.02 1.48 -0.29 0.00 -0.00 0.00 0.00 62.75 63.97 1u6f n ILE 30 Cb 0.09 -6.09 0.21 0.00 -0.00 0.00 0.00 39.64 33.85 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 -1.12 -0.44 -0.56 0.38 0.04 -1.26 -4.82 135.00 127.22 1u6f s PRO 31 Ca -0.04 0.45 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1u6f s PRO 31 Cb 0.00 -1.64 -0.18 0.00 0.04 0.00 0.00 34.50 32.72 1u6f s PRO 31 CO 0.58 -3.30 1.80 -0.35 0.04 0.00 0.00 177.00 175.77 1u6f n PRO 32 N -4.56 1.14 -0.04 0.56 -0.04 -1.26 -4.11 135.00 126.69 1u6f n PRO 32 Ca 0.06 -1.48 -0.04 0.00 -0.04 0.00 0.00 63.50 61.99 1u6f n PRO 32 Cb 0.57 -2.67 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 1u6f n PRO 32 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u6f n THR 33 N 5.85 0.45 -2.79 0.52 -2.24 -1.26 -5.09 114.28 109.71 1u6f n THR 33 Ca 0.44 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1u6f n THR 33 Cb 0.33 -0.81 0.01 0.00 -2.10 0.00 0.00 70.33 67.76 1u6f n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u6f n GLN 34 N -2.52 -2.47 -0.05 -0.78 6.02 -1.26 -4.99 117.38 111.34 1u6f n GLN 34 Ca -0.12 2.17 -0.05 0.00 -0.01 0.00 0.00 57.00 58.99 1u6f n GLN 34 Cb 0.67 -5.51 -0.07 0.00 1.02 0.00 0.00 30.24 26.35 1u6f n GLN 34 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1u6f n MET 35 N -0.17 2.41 -2.93 -1.09 2.81 -1.26 -5.07 117.12 111.82 1u6f n MET 35 Ca 0.10 -0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.95 1u6f n MET 35 Cb 0.38 -1.24 0.02 0.00 -0.71 0.00 0.00 33.22 31.67 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1u6f n ASN 36 N -2.36 -6.89 -3.98 7.83 4.13 -1.26 -4.84 115.26 107.89 1u6f n ASN 36 Ca -0.16 -0.22 -0.40 0.00 1.68 0.00 0.00 54.58 55.49 1u6f n ASN 36 Cb 0.81 -4.80 -0.04 0.00 -1.54 0.00 0.00 39.78 34.21 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1u6f n PRO 37 N -2.05 1.97 -3.46 3.52 -0.04 -1.26 -4.90 135.00 128.79 1u6f n PRO 37 Ca -0.02 -2.30 -0.43 0.00 -0.04 0.00 0.00 63.50 60.72 1u6f n PRO 37 Cb 0.53 -3.24 -0.09 0.00 -0.04 0.00 0.00 33.50 30.66 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 4.92 2.87 0.19 0.54 0.41 -1.26 -4.94 118.70 121.44 1u6f s GLU 38 Ca 0.58 -1.34 0.18 0.00 -0.41 0.00 0.00 54.97 53.98 1u6f s GLU 38 Cb 0.10 -4.01 0.82 0.00 -1.78 0.00 0.00 34.13 29.26 1u6f s GLU 38 CO 0.08 -0.97 1.54 -2.30 -0.49 0.00 0.00 175.26 173.12 1u6f n PRO 39 N 5.12 0.11 0.15 0.39 -0.02 -1.26 -2.76 135.00 136.73 1u6f n PRO 39 Ca -0.12 0.47 0.17 0.00 -2.02 0.00 0.00 63.50 62.00 1u6f n PRO 39 Cb 0.44 -1.78 0.76 0.00 -0.02 0.00 0.00 33.50 32.90 1u6f n PRO 39 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1u6f h ASP 40 N 0.00 0.00 -0.88 2.55 2.03 -1.99 -0.18 116.42 117.96 1u6f h ASP 40 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 1u6f h ASP 40 Cb 0.18 0.00 -0.27 0.00 -0.83 0.00 0.00 39.33 38.41 1u6f h ASP 40 CO 0.00 0.00 0.61 1.33 -1.03 0.00 0.00 179.24 180.15 1u6f n VAL 41 N -4.09 3.02 -0.04 4.15 0.24 -1.11 -4.24 118.33 116.26 1u6f n VAL 41 Ca 0.03 -1.83 -0.08 0.00 -2.04 0.00 0.00 64.34 60.43 1u6f n VAL 41 Cb 0.38 -0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 31.98 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 -0.90 0.61 0.00 1.34 4.77 -0.08 -4.05 117.00 118.68 1u6f n LEU 42 Ca 0.53 0.29 0.02 0.00 -0.03 0.00 0.00 56.01 56.82 1u6f n LEU 42 Cb 1.40 0.25 0.11 0.00 -2.33 0.00 0.00 43.42 42.85 1u6f n LEU 42 CO 0.56 0.39 0.57 -2.11 -1.33 0.00 0.00 177.39 175.47 1u6f n ARG 43 N -2.93 0.01 -2.39 3.23 1.85 -1.26 -4.54 116.66 110.63 1u6f n ARG 43 Ca -0.20 0.40 -0.42 0.00 -1.00 0.00 0.00 57.85 56.63 1u6f n ARG 43 Cb 1.05 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.93 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 -2.96 6.16 -0.25 2.89 3.04 -1.26 -0.77 114.94 121.79 1u6f s ASN 44 Ca 0.03 0.33 -0.07 0.00 0.04 0.00 0.00 52.86 53.19 1u6f s ASN 44 Cb 0.03 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 37.18 1u6f s ASN 44 CO 0.09 -1.67 0.06 -0.76 -3.04 0.00 0.00 177.10 171.77 1u6f s LEU 45 N 5.96 3.43 -0.38 3.21 2.01 -0.49 -2.32 118.68 130.11 1u6f s LEU 45 Ca 0.53 -0.29 -0.20 0.00 0.01 0.00 0.00 54.13 54.17 1u6f s LEU 45 Cb -0.11 -1.90 0.01 0.00 0.01 0.00 0.00 46.19 44.20 1u6f s LEU 45 CO 0.26 -0.05 0.64 -0.32 1.01 0.00 0.00 176.35 177.88 1u6f s MET 46 N 1.59 3.55 -0.16 1.70 1.75 0.39 0.96 119.30 129.08 1u6f s MET 46 Ca 0.06 -0.09 -0.07 0.00 -1.25 0.00 0.00 55.69 54.34 1u6f s MET 46 Cb -0.15 -3.85 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 1u6f s MET 46 CO 0.03 -0.82 0.09 0.14 -0.65 0.00 0.00 175.02 173.80 1u6f s VAL 47 N 2.74 5.02 -0.05 10.11 -7.23 0.22 0.28 120.40 131.50 1u6f s VAL 47 Ca 0.24 0.04 -0.09 0.00 -1.81 0.00 0.00 61.98 60.36 1u6f s VAL 47 Cb -0.14 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.58 1u6f s VAL 47 CO 0.16 0.51 0.22 0.21 -0.31 0.00 0.00 175.10 175.89 1u6f s ASN 48 N -0.13 -0.16 0.27 4.85 3.04 0.01 0.94 114.94 123.76 1u6f s ASN 48 Ca 0.08 0.21 0.00 0.00 0.04 0.00 0.00 52.86 53.20 1u6f s ASN 48 Cb -0.12 0.37 0.00 0.00 -1.54 0.00 0.00 41.25 39.96 1u6f s ASN 48 CO 0.01 -0.22 0.00 0.00 -3.04 0.00 0.00 177.10 173.85 1u6f n TYR 49 N 2.26 -3.63 -3.35 0.43 9.36 -1.26 -2.18 117.16 118.78 1u6f n TYR 49 Ca -0.17 0.94 -0.20 0.00 3.32 0.00 0.00 57.90 61.80 1u6f n TYR 49 Cb 0.57 2.52 -0.01 0.00 -0.63 0.00 0.00 39.34 41.79 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 -1.75 2.72 0.00 2.97 -4.36 -1.26 -5.04 121.20 114.47 1u6f s ILE 50 Ca 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 1u6f s ILE 50 Cb 0.00 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.78 1u6f s ILE 50 CO 0.00 0.00 0.00 -0.81 0.24 0.00 0.00 174.94 174.37 1u6f n PRO 51 N -1.70 0.00 0.18 0.37 -0.04 -1.26 -4.56 135.00 127.99 1u6f n PRO 51 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1u6f n PRO 51 Cb 0.61 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.20 1u6f n PRO 51 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1u6f h THR 52 N 0.00 0.56 -0.17 0.52 2.02 -1.92 -3.24 112.91 110.68 1u6f h THR 52 Ca 0.00 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1u6f h THR 52 Cb 0.00 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1u6f h THR 52 CO 0.00 0.31 0.00 1.07 0.37 0.00 0.00 175.52 177.27 1u6f n THR 53 N -3.21 0.46 -2.13 3.16 5.66 -1.26 -4.72 114.28 112.25 1u6f n THR 53 Ca 0.02 -0.30 -0.42 0.00 -3.05 0.00 0.00 64.05 60.30 1u6f n THR 53 Cb 0.63 -0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 1u6f n THR 53 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1u6f s VAL 54 N -1.61 3.67 -0.24 1.08 -7.23 -1.22 -4.96 120.40 109.89 1u6f s VAL 54 Ca 0.13 0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 61.21 1u6f s VAL 54 Cb 0.08 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.45 1u6f s VAL 54 CO 0.06 -0.05 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.93 1u6f s ASP 55 N 2.60 4.23 0.62 4.85 1.01 -1.26 -4.94 116.67 123.77 1u6f s ASP 55 Ca 0.68 -0.78 0.32 0.00 0.71 0.00 0.00 52.55 53.48 1u6f s ASP 55 Cb -0.32 -1.66 1.78 0.00 1.01 0.00 0.00 42.92 43.73 1u6f s ASP 55 CO 0.27 -0.10 2.11 1.05 0.21 0.00 0.00 175.17 178.70 1u6f h GLU 56 N 8.02 0.00 0.26 8.23 4.11 -1.95 -2.46 114.58 130.79 1u6f h GLU 56 Ca -0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.07 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 0.58 0.00 -0.12 0.28 0.07 0.00 0.00 179.01 179.82 1u6f h VAL 57 N 0.00 0.46 -0.99 -1.06 2.07 -1.97 0.24 116.25 115.00 1u6f h VAL 57 Ca 0.06 -0.90 0.17 0.00 0.82 0.00 0.00 66.70 66.85 1u6f h VAL 57 Cb 0.46 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 1u6f h VAL 57 CO -0.00 0.12 0.60 1.56 0.02 0.00 0.00 177.57 179.86 1u6f h GLN 58 N -0.98 0.77 0.00 1.57 4.20 -1.88 0.31 115.11 119.11 1u6f h GLN 58 Ca -0.04 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 1u6f h GLN 58 Cb 0.46 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1u6f h GLN 58 CO 0.06 0.51 -0.75 -0.07 -0.67 0.00 0.00 178.83 177.91 1u6f h LEU 59 N 0.80 0.00 0.52 1.46 3.38 -1.56 -2.58 115.31 117.33 1u6f h LEU 59 Ca 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 1u6f h LEU 59 Cb 0.79 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1u6f h LEU 59 CO -0.36 0.75 -0.25 -0.09 0.09 0.00 0.00 178.44 178.58 1u6f h ARG 60 N 0.00 -0.68 -0.34 1.13 2.43 0.31 0.99 114.38 118.22 1u6f h ARG 60 Ca -0.01 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1u6f h ARG 60 Cb 1.50 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.19 1u6f h ARG 60 CO 0.10 -0.42 -0.07 1.96 -1.51 0.00 0.00 179.97 180.03 1u6f h GLN 61 N -0.77 0.65 -0.57 0.20 4.20 -1.28 0.95 115.11 118.50 1u6f h GLN 61 Ca -0.07 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 1u6f h GLN 61 Cb 0.57 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1u6f h GLN 61 CO 0.12 0.81 0.10 1.25 -0.67 0.00 0.00 178.83 180.43 1u6f h LEU 62 N 0.44 0.91 0.00 1.46 5.85 -1.41 -1.98 115.31 120.58 1u6f h LEU 62 Ca 0.09 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 1u6f h LEU 62 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1u6f h LEU 62 CO 0.03 0.93 -0.53 -0.26 -0.34 0.00 0.00 178.44 178.27 1u6f h PHE 63 N 0.84 0.00 -0.20 1.25 0.04 0.11 -3.33 116.94 115.65 1u6f h PHE 63 Ca 0.17 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.00 1u6f h PHE 63 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1u6f h PHE 63 CO 0.03 1.18 0.28 1.05 -0.60 0.00 0.00 178.31 180.24 1u6f h GLU 64 N -1.00 0.00 -0.47 1.51 4.11 0.86 -1.53 114.58 118.06 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 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1u6f h GLU 64 CO -0.09 0.00 0.29 0.07 0.07 0.00 0.00 179.01 179.35 1u6f h ARG 65 N 0.00 0.56 0.00 1.06 0.11 -1.46 -1.22 114.38 113.42 1u6f h ARG 65 Ca 0.09 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1u6f h ARG 65 Cb 0.64 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1u6f h ARG 65 CO -0.00 0.37 -0.32 0.66 0.10 0.00 0.00 179.97 180.78 1u6f n TYR 66 N -4.81 0.07 -3.14 4.08 4.01 -0.63 -4.75 117.16 111.99 1u6f n TYR 66 Ca 0.03 0.02 0.05 0.00 -0.16 0.00 0.00 57.90 57.84 1u6f n TYR 66 Cb 0.06 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 -3.07 -0.94 0.21 2.72 0.00 -0.77 -4.80 107.32 100.68 1u6f s GLY 67 Ca 0.12 2.12 -0.29 0.00 0.00 0.00 0.00 44.72 46.67 1u6f s GLY 67 CO 0.64 4.13 0.76 -1.05 0.00 0.00 0.00 173.10 177.58 1u6f n PRO 68 N 5.05 0.51 -3.55 2.90 -0.02 -0.53 -3.92 135.00 135.44 1u6f n PRO 68 Ca 0.10 0.18 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1u6f n PRO 68 Cb 0.58 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 1u6f n PRO 68 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u6f s ILE 69 N -0.88 5.06 -0.24 4.25 -4.36 -1.26 -1.20 121.20 122.57 1u6f s ILE 69 Ca 0.65 0.42 0.01 0.00 -0.26 0.00 0.00 60.65 61.48 1u6f s ILE 69 Cb -0.88 -3.65 -0.16 0.00 1.25 0.00 0.00 42.46 39.03 1u6f s ILE 69 CO 0.57 0.19 -0.22 1.21 0.24 0.00 0.00 174.94 176.93 1u6f n GLU 70 N 0.62 0.61 -3.63 0.37 2.13 0.28 -4.71 120.64 116.31 1u6f n GLU 70 Ca -0.06 0.14 -0.27 0.00 0.66 0.00 0.00 57.16 57.63 1u6f n GLU 70 Cb 0.52 -1.49 -0.16 0.00 0.27 0.00 0.00 31.44 30.58 1u6f n GLU 70 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1u6f s SER 71 N -6.40 2.93 -0.19 4.31 0.15 -1.07 -5.02 113.70 108.41 1u6f s SER 71 Ca -0.33 -0.93 -0.06 0.00 0.70 0.00 0.00 55.95 55.33 1u6f s SER 71 Cb 0.09 -0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1u6f s SER 71 CO 0.56 -0.37 0.03 -0.69 1.20 0.00 0.00 173.24 173.97 1u6f s VAL 72 N 2.02 4.38 0.05 4.45 1.01 -1.26 -1.32 120.40 129.72 1u6f s VAL 72 Ca 0.04 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 1u6f s VAL 72 Cb -0.16 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1u6f s VAL 72 CO -0.18 0.44 0.52 -0.75 0.00 0.00 0.00 175.10 175.14 1u6f s LYS 73 N 0.64 1.03 -0.12 2.72 2.20 0.25 -5.03 119.74 121.43 1u6f s LYS 73 Ca 0.01 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 1u6f s LYS 73 Cb -0.14 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1u6f s LYS 73 CO 0.02 -0.37 -0.01 0.42 -0.36 0.00 0.00 175.35 175.05 1u6f s ILE 74 N -2.42 4.19 -0.78 5.43 1.01 -1.26 0.22 121.20 127.58 1u6f s ILE 74 Ca -0.05 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 1u6f s ILE 74 Cb -0.01 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.69 1u6f s ILE 74 CO -0.02 0.54 1.34 -0.69 0.00 0.00 0.00 174.94 176.11 1u6f s VAL 75 N -0.25 3.73 0.79 2.92 1.01 0.61 -4.88 120.40 124.34 1u6f s VAL 75 Ca 0.05 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1u6f s VAL 75 Cb -0.12 -4.89 0.07 0.00 0.00 0.00 0.00 36.38 31.44 1u6f s VAL 75 CO 0.02 -1.82 1.14 0.00 0.00 0.00 0.00 175.10 174.44 1u6f s ASP 77 N -4.36 7.26 0.00 0.00 1.11 -0.49 -4.84 116.67 115.34 1u6f s ASP 77 Ca 0.61 1.54 0.17 0.00 0.18 0.00 0.00 52.55 55.05 1u6f s ASP 77 Cb -0.12 -2.55 0.75 0.00 1.07 0.00 0.00 42.92 42.07 1u6f s ASP 77 CO 0.51 -0.37 1.55 -2.11 1.18 0.00 0.00 175.17 175.93 1u6f n ARG 78 N 4.61 0.02 -0.01 8.23 1.85 -1.26 0.10 116.66 130.20 1u6f n ARG 78 Ca 0.07 0.20 -0.13 0.00 -1.00 0.00 0.00 57.85 56.99 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 0.93 -0.01 0.00 0.00 177.63 178.55 1u6f h GLU 79 N 0.00 -0.05 -0.02 2.89 5.08 -1.97 -3.37 114.58 117.14 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u6f h GLU 79 Cb 0.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1u6f h GLU 79 CO 0.00 0.55 0.00 -2.37 -1.00 0.00 0.00 179.01 176.19 1u6f n THR 80 N -4.80 0.14 -3.14 1.13 5.66 -1.21 -4.99 114.28 107.06 1u6f n THR 80 Ca -0.09 -0.57 -0.23 0.00 -3.05 0.00 0.00 64.05 60.11 1u6f n THR 80 Cb 0.31 0.99 0.03 0.00 -1.55 0.00 0.00 70.33 70.11 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 0.15 -4.60 -4.18 1.09 5.12 0.29 -4.98 116.66 109.56 1u6f n ARG 81 Ca 0.02 0.78 -0.23 0.00 -1.93 0.00 0.00 57.85 56.50 1u6f n ARG 81 Cb 0.12 -5.61 -0.06 0.00 -1.16 0.00 0.00 32.46 25.75 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 -5.82 2.65 -0.21 5.56 -1.52 -1.19 -4.86 119.66 114.27 1u6f s GLN 82 Ca 0.34 -1.17 -0.29 0.00 -1.95 0.00 0.00 55.36 52.30 1u6f s GLN 82 Cb -0.16 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 1u6f s GLN 82 CO 0.42 0.40 1.94 -1.12 -0.25 0.00 0.00 175.29 176.69 1u6f s SER 83 N -3.62 5.91 0.00 5.90 0.01 -1.26 -1.40 113.70 119.24 1u6f s SER 83 Ca 0.32 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1u6f s SER 83 Cb -0.08 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1u6f s SER 83 CO 0.22 -1.61 0.00 -1.14 0.41 0.00 0.00 173.24 171.12 1u6f n ARG 84 N 8.26 0.00 0.00 12.44 0.63 -1.26 -4.33 116.66 132.41 1u6f n ARG 84 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1u6f n ARG 84 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6f n GLY 85 N 0.00 0.62 3.83 5.14 0.00 -1.24 -4.00 105.19 109.55 1u6f n GLY 85 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 0.41 1.61 -0.85 -1.10 -4.68 117.35 112.75 1u6f s TYR 86 Ca 0.00 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 1u6f s TYR 86 Cb 0.00 0.63 0.03 0.00 0.38 0.00 0.00 41.96 43.00 1u6f s TYR 86 CO 0.00 -0.62 0.26 0.41 -1.52 0.00 0.00 175.55 174.09 1u6f n GLY 87 N -0.66 2.95 3.09 5.49 0.00 0.27 0.23 105.19 116.55 1u6f n GLY 87 Ca -0.03 -2.28 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 1u6f n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u6f s PHE 88 N -2.11 -0.39 -0.23 1.61 0.08 0.59 -0.61 117.98 116.93 1u6f s PHE 88 Ca 0.20 0.89 -0.00 0.00 0.12 0.00 0.00 56.93 58.14 1u6f s PHE 88 Cb -0.02 0.08 0.06 0.00 -0.57 0.00 0.00 43.02 42.57 1u6f s PHE 88 CO 0.13 -0.27 -0.02 0.14 -0.10 0.00 0.00 175.22 175.10 1u6f s VAL 89 N 1.41 1.23 -0.45 -0.44 -7.23 0.27 -0.58 120.40 114.61 1u6f s VAL 89 Ca -0.08 -1.05 -0.22 0.00 -1.81 0.00 0.00 61.98 58.81 1u6f s VAL 89 Cb -0.10 -1.59 0.03 0.00 0.56 0.00 0.00 36.38 35.28 1u6f s VAL 89 CO -0.09 -0.16 0.72 -0.75 -0.31 0.00 0.00 175.10 174.51 1u6f s LYS 90 N 1.53 3.34 0.63 4.82 2.20 -0.44 -1.39 119.74 130.42 1u6f s LYS 90 Ca -0.04 -0.25 -0.17 0.00 -0.36 0.00 0.00 55.97 55.15 1u6f s LYS 90 Cb -0.18 -3.95 -0.02 0.00 -1.51 0.00 0.00 37.83 32.17 1u6f s LYS 90 CO -0.07 -1.08 1.13 -0.06 -0.36 0.00 0.00 175.35 174.90 1u6f s PHE 91 N 3.08 2.58 0.51 4.03 0.40 0.05 0.10 117.98 128.72 1u6f s PHE 91 Ca 0.26 1.55 0.28 0.00 -0.60 0.00 0.00 56.93 58.42 1u6f s PHE 91 Cb -0.13 -3.25 1.38 0.00 0.51 0.00 0.00 43.02 41.53 1u6f s PHE 91 CO 0.21 -1.76 1.89 1.96 0.70 0.00 0.00 175.22 178.22 1u6f h GLN 92 N 0.41 0.10 -3.20 0.44 4.20 -1.44 -3.41 115.11 112.21 1u6f h GLN 92 Ca -0.48 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.08 1u6f h GLN 92 Cb 1.26 -0.02 -0.23 0.00 0.30 0.00 0.00 27.48 28.79 1u6f h GLN 92 CO 0.55 0.07 -0.40 -1.12 -0.67 0.00 0.00 178.83 177.26 1u6f s SER 93 N -5.67 -0.17 0.57 1.46 0.01 -1.26 -4.98 113.70 103.65 1u6f s SER 93 Ca -0.06 0.20 0.29 0.00 1.31 0.00 0.00 55.95 57.69 1u6f s SER 93 Cb 0.22 0.38 1.47 0.00 0.21 0.00 0.00 66.02 68.29 1u6f s SER 93 CO 0.77 -0.27 1.90 1.23 0.41 0.00 0.00 173.24 177.29 1u6f h GLY 94 N 4.81 0.00 2.00 3.44 0.00 -1.82 0.61 103.07 112.11 1u6f h GLY 94 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1u6f h GLY 94 CO 0.38 0.00 -0.06 1.76 0.00 0.00 0.00 176.54 178.62 1u6f h SER 95 N 0.00 0.00 0.91 0.19 0.02 -1.95 -1.26 113.55 111.46 1u6f h SER 95 Ca 0.28 0.00 -0.22 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 0.06 -1.05 0.28 -1.14 0.00 0.00 176.83 174.98 1u6f h SER 96 N 0.00 0.10 -0.92 3.07 0.02 -0.15 -3.27 113.55 112.40 1u6f h SER 96 Ca -0.00 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1u6f h SER 96 Cb 0.18 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1u6f h SER 96 CO 0.01 1.07 0.61 0.00 -1.14 0.00 0.00 176.83 177.38 1u6f h ALA 97 N 0.91 1.35 -0.83 3.77 0.00 -1.21 -1.06 119.26 122.20 1u6f h ALA 97 Ca -0.04 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1u6f h ALA 97 Cb 1.80 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1u6f h ALA 97 CO 0.15 0.59 0.54 1.96 0.00 0.00 0.00 179.25 182.49 1u6f h GLN 98 N 1.24 0.89 0.00 0.00 4.20 -1.58 0.19 115.11 120.04 1u6f h GLN 98 Ca 0.34 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.82 1u6f h GLN 98 Cb -0.12 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.44 1u6f h GLN 98 CO -0.08 0.59 -0.85 1.96 -0.67 0.00 0.00 178.83 179.77 1u6f h GLN 99 N 0.91 0.00 0.26 1.46 4.20 -1.43 -1.57 115.11 118.94 1u6f h GLN 99 Ca 0.36 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1u6f h GLN 99 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1u6f h GLN 99 CO -0.13 0.86 -0.13 0.00 -0.67 0.00 0.00 178.83 178.76 1u6f h ALA 100 N 1.14 -0.35 0.00 3.87 0.00 0.08 -1.26 119.26 122.74 1u6f h ALA 100 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1u6f h ALA 100 Cb 1.51 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1u6f h ALA 100 CO 0.11 -0.44 -0.19 0.82 0.00 0.00 0.00 179.25 179.55 1u6f h ILE 101 N -0.87 0.76 -0.07 0.00 1.08 -0.80 1.20 117.51 118.80 1u6f h ILE 101 Ca -0.04 -0.77 -0.17 0.00 -0.39 0.00 0.00 64.86 63.50 1u6f h ILE 101 Cb 0.51 1.47 0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1u6f h ILE 101 CO 0.06 0.19 -0.61 0.00 -0.69 0.00 0.00 178.15 177.09 1u6f h ALA 102 N 1.81 0.17 0.00 1.87 0.00 -1.25 -3.32 119.26 118.54 1u6f h ALA 102 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1u6f h ALA 102 Cb 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1u6f h ALA 102 CO 0.02 0.44 -0.38 0.41 0.00 0.00 0.00 179.25 179.74 1u6f n GLY 103 N 0.83 2.79 0.00 0.00 0.00 -0.48 -4.79 105.19 103.53 1u6f n GLY 103 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.62 0.00 -4.67 0.99 4.77 0.41 -4.84 117.00 113.04 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 0.73 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1u6f n LEU 104 CO -0.01 0.00 1.23 0.21 -1.33 0.00 0.00 177.39 177.49 1u6f s ASN 105 N -0.74 6.79 -0.27 -1.43 2.47 -0.78 -1.85 114.94 119.13 1u6f s ASN 105 Ca 0.00 2.06 0.00 0.00 0.42 0.00 0.00 52.86 55.34 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 -0.83 0.00 0.61 -3.72 0.00 0.00 177.10 173.16 1u6f n GLY 106 N 3.86 0.45 3.44 1.21 0.00 0.55 -4.83 105.19 109.87 1u6f n GLY 106 Ca 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.48 0.64 -2.09 1.61 7.35 -0.77 -4.49 117.46 117.22 1u6f n PHE 107 Ca -0.03 -0.06 -0.29 0.00 -0.76 0.00 0.00 57.45 56.31 1u6f n PHE 107 Cb 0.31 -1.84 -0.06 0.00 0.35 0.00 0.00 39.48 38.24 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 6.06 5.13 0.67 -2.13 4.22 -1.26 -1.59 114.94 126.04 1u6f s ASN 108 Ca 0.76 -1.62 -0.11 0.00 -2.14 0.00 0.00 52.86 49.75 1u6f s ASN 108 Cb -0.19 -2.59 -0.01 0.00 1.28 0.00 0.00 41.25 39.75 1u6f s ASN 108 CO 0.18 -2.96 1.06 -0.51 -2.04 0.00 0.00 177.10 172.83 1u6f s ILE 109 N 10.61 4.14 0.64 0.54 2.07 0.26 -4.90 121.20 134.56 1u6f s ILE 109 Ca 0.68 0.70 0.25 0.00 -1.41 0.00 0.00 60.65 60.87 1u6f s ILE 109 Cb -0.01 -3.58 0.29 0.00 0.13 0.00 0.00 42.46 39.29 1u6f s ILE 109 CO 0.12 -0.91 1.75 0.25 -1.91 0.00 0.00 174.94 174.24 1u6f h LEU 110 N -0.57 0.00 0.00 8.50 6.46 -2.04 -2.64 115.31 125.02 1u6f h LEU 110 Ca -0.44 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 56.99 1u6f h LEU 110 Cb 1.21 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 1u6f h LEU 110 CO 0.60 0.00 -2.18 0.59 -0.62 0.00 0.00 178.44 176.84 1u6f n ASN 111 N -3.12 2.16 -1.23 1.25 3.02 -1.26 -5.09 115.26 110.98 1u6f n ASN 111 Ca 0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1u6f n ASN 111 Cb 0.63 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1u6f n ASN 111 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u6f n LYS 112 N -3.35 0.05 -3.94 3.52 4.01 -0.99 -5.15 118.16 112.31 1u6f n LYS 112 Ca -0.38 -0.34 -0.29 0.00 -0.51 0.00 0.00 58.31 56.78 1u6f n LYS 112 Cb 0.86 0.30 -0.16 0.00 -0.51 0.00 0.00 35.03 35.52 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1u6f s ARG 113 N -2.13 1.74 -0.99 1.97 6.06 -1.26 0.89 118.95 125.24 1u6f s ARG 113 Ca 0.04 -0.70 -0.21 0.00 -2.50 0.00 0.00 55.73 52.37 1u6f s ARG 113 Cb 0.00 -2.23 0.09 0.00 0.06 0.00 0.00 34.95 32.87 1u6f s ARG 113 CO 0.03 -0.44 1.30 -0.51 -2.50 0.00 0.00 175.30 173.19 1u6f s LEU 114 N 1.51 4.25 -0.25 -0.88 1.02 -0.62 -4.59 118.68 119.12 1u6f s LEU 114 Ca -0.00 -1.77 -0.28 0.00 0.02 0.00 0.00 54.13 52.10 1u6f s LEU 114 Cb -0.16 -2.49 0.01 0.00 0.02 0.00 0.00 46.19 43.57 1u6f s LEU 114 CO -0.08 -1.29 1.01 -0.75 0.02 0.00 0.00 176.35 175.26 1u6f s LYS 115 N 3.85 4.21 -0.12 1.70 2.20 -0.92 0.21 119.74 130.86 1u6f s LYS 115 Ca 0.40 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 57.25 1u6f s LYS 115 Cb -0.02 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1u6f s LYS 115 CO -0.09 -0.66 -0.15 0.08 -0.36 0.00 0.00 175.35 174.16 1u6f s VAL 116 N 3.21 1.56 -0.05 4.02 1.01 -1.25 -0.81 120.40 128.09 1u6f s VAL 116 Ca 0.43 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1u6f s VAL 116 Cb -0.15 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1u6f s VAL 116 CO 0.08 0.45 -0.11 0.00 0.00 0.00 0.00 175.10 175.52 1u6f s ALA 117 N 1.12 1.10 0.33 5.51 0.00 0.14 -4.75 121.76 125.21 1u6f s ALA 117 Ca -0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 1u6f s ALA 117 Cb -0.14 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 1u6f s ALA 117 CO -0.04 0.14 1.34 -0.51 0.00 0.00 0.00 175.76 176.68 1u6f s LEU 118 N 0.44 4.41 0.00 0.00 2.01 -1.26 0.15 118.68 124.43 1u6f s LEU 118 Ca -0.09 2.73 0.00 0.00 0.01 0.00 0.00 54.13 56.78 1u6f s LEU 118 Cb -0.13 -3.65 0.00 0.00 0.01 0.00 0.00 46.19 42.42 1u6f s LEU 118 CO 0.02 -0.58 0.24 0.00 1.01 0.00 0.00 176.35 177.03 1u6f n ALA 119 N 0.87 0.00 0.00 4.21 0.00 -0.98 -4.83 120.51 119.78 1u6f n ALA 119 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1u6f n ALA 119 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.84 0.00 -2.65 0.00 0.00 -1.26 -5.05 120.51 109.71 1u6f n ALA 120 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1u6f n ALA 120 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1u6f n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u6f n SER 121 N 0.00 -1.09 0.00 0.00 2.88 -1.26 -4.88 113.62 109.27 1u6f n SER 121 Ca 0.00 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 1u6f n SER 121 Cb 0.00 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6f n GLY 122 N 1.52 -0.82 3.19 0.46 0.00 -1.26 -5.03 105.19 103.26 1u6f n GLY 122 Ca 0.01 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 1u6f n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6f s HIS 123 N 0.00 1.43 0.31 1.61 3.76 -1.26 -5.05 115.29 116.09 1u6f s HIS 123 Ca 0.00 -0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 54.36 1u6f s HIS 123 Cb 0.00 -0.83 -0.09 0.00 1.11 0.00 0.00 32.58 32.77 1u6f s HIS 123 CO 0.00 0.07 0.76 -0.65 -0.85 0.00 0.00 174.74 174.07 1u6f s GLN 124 N -1.32 4.10 0.09 1.40 -1.52 -1.26 -4.86 119.66 116.28 1u6f s GLN 124 Ca 0.03 0.78 0.00 0.00 -1.95 0.00 0.00 55.36 54.22 1u6f s GLN 124 Cb -0.09 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 1u6f s GLN 124 CO 0.02 0.19 0.00 0.54 -0.25 0.00 0.00 175.29 175.79 1u6f n ARG 125 N -0.14 0.00 -0.04 2.91 3.00 -1.26 -4.99 116.66 116.14 1u6f n ARG 125 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.72 1u6f n ARG 125 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.91 1u6f n ARG 125 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1u6f h PRO 126 N 0.00 0.44 -1.34 5.56 0.13 -1.99 -3.49 132.00 131.31 1u6f h PRO 126 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1u6f h PRO 126 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1u6f h PRO 126 CO 0.00 0.95 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1u6f n GLY 127 N 0.57 0.66 1.99 1.56 0.00 -1.26 -4.88 105.19 103.83 1u6f n GLY 127 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.67-11.46 -2.33 -0.61 5.41 -1.26 -5.01 119.36 103.43 1u6f n ILE 128 Ca 0.00 2.69 -0.27 0.00 1.00 0.00 0.00 62.75 66.16 1u6f n ILE 128 Cb 0.28 -5.33 0.03 0.00 -0.71 0.00 0.00 39.64 33.91 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u6f s ALA 129 N -0.47 3.25 0.00 -1.39 0.00 -1.26 -4.93 121.76 116.96 1u6f s ALA 129 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1u6f s ALA 129 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1u6f s ALA 129 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1u6f n GLY 130 N -2.64 -1.55 3.48 0.00 0.00 -1.26 -5.13 105.19 98.10 1u6f n GLY 130 Ca 0.05 0.59 0.01 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.00 -2.64 -0.06 4.61 0.00 -1.26 -5.06 121.76 116.35 1u6f s ALA 131 Ca 0.00 2.06 -0.00 0.00 0.00 0.00 0.00 51.96 54.02 1u6f s ALA 131 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1u6f s ALA 131 CO 0.00 -0.68 -0.06 0.28 0.00 0.00 0.00 175.76 175.30 1u6f n VAL 132 N 4.29 0.33 0.00 0.00 0.31 -1.26 -5.05 118.33 116.94 1u6f n VAL 132 Ca -0.13 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1u6f n VAL 132 Cb 0.55 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u6f n GLY 133 N 3.14 1.31 3.44 2.92 0.00 -1.26 -5.11 105.19 109.63 1u6f n GLY 133 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1u6f n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u6f s ASP 134 N -0.17 -0.13 0.00 1.61 2.15 -1.26 -5.10 116.67 113.77 1u6f s ASP 134 Ca 0.00 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.33 1u6f s ASP 134 Cb 0.00 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 1u6f s ASP 134 CO 0.00 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.63 1u6f n GLY 135 N -0.28 0.26 3.53 2.66 0.00 -1.26 -5.05 105.19 105.05 1u6f n GLY 135 Ca -0.09 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 6.31 0.00 1.61 2.47 -1.26 -3.46 114.94 120.60 1u6f s ASN 136 Ca 0.00 -0.98 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1u6f s ASN 136 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1u6f s ASN 136 CO 0.00 -1.61 0.00 0.61 -3.72 0.00 0.00 177.10 172.38 1u6f n GLY 137 N 5.85 2.31 5.15 1.21 0.00 -1.26 -5.00 105.19 113.44 1u6f n GLY 137 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1u6f n GLY 137 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u6f n TYR 138 N 0.00 0.00 -0.32 1.61 4.02 -1.23 -5.28 117.16 115.97 1u6f n TYR 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1u6f n TYR 138 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13