#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6r s GLN 2 N 0.00 0.50 -0.18 9.51 -0.21 -1.24 -3.23 119.66 124.81 1g6r s GLN 2 Ca 0.00 1.01 -0.00 0.00 0.02 0.00 0.00 55.36 56.38 1g6r s GLN 2 Cb 0.00 0.12 0.05 0.00 1.00 0.00 0.00 33.01 34.18 1g6r s GLN 2 CO 0.00 -0.17 -0.06 0.21 -2.12 0.00 0.00 175.29 173.16 1g6r s LYS 3 N 1.71 1.51 0.01 2.91 2.47 -1.06 -4.91 119.74 122.39 1g6r s LYS 3 Ca -0.09 -0.63 -0.36 0.00 -1.56 0.00 0.00 55.97 53.34 1g6r s LYS 3 Cb -0.08 -2.16 -0.15 0.00 -1.46 0.00 0.00 37.83 33.99 1g6r s LYS 3 CO -0.16 -0.47 1.60 2.41 0.16 0.00 0.00 175.35 178.89 1g6r n THR 4 N 4.83 0.17 -1.95 3.43 -1.04 -1.26 -3.20 114.28 115.26 1g6r n THR 4 Ca -0.12 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 1g6r n THR 4 Cb 0.47 -1.34 0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1g6r n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g6r s PRO 5 N 1.86 3.10 -0.11 -2.82 0.04 -1.24 -4.65 135.00 131.19 1g6r s PRO 5 Ca 0.87 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.85 1g6r s PRO 5 Cb -0.83 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1g6r s PRO 5 CO 0.48 -1.14 -0.01 -0.65 0.04 0.00 0.00 177.00 175.72 1g6r s GLN 6 N -3.10 3.23 0.13 4.56 -1.52 0.53 -4.89 119.66 118.59 1g6r s GLN 6 Ca 0.74 -0.45 0.09 0.00 -1.95 0.00 0.00 55.36 53.79 1g6r s GLN 6 Cb -0.34 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 29.58 1g6r s GLN 6 CO 0.39 0.53 -0.17 0.42 -0.25 0.00 0.00 175.29 176.21 1g6r s ILE 7 N -0.42 2.87 -0.10 1.08 1.01 -1.26 -0.94 121.20 123.44 1g6r s ILE 7 Ca 0.07 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.13 1g6r s ILE 7 Cb -0.12 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.07 1g6r s ILE 7 CO 0.02 0.06 0.20 -1.58 0.00 0.00 0.00 174.94 173.64 1g6r s GLN 8 N -2.27 0.09 -0.14 2.79 0.74 -1.17 -5.02 119.66 114.69 1g6r s GLN 8 Ca 0.19 0.59 -0.03 0.00 0.05 0.00 0.00 55.36 56.16 1g6r s GLN 8 Cb -0.10 -0.18 -0.03 0.00 1.10 0.00 0.00 33.01 33.80 1g6r s GLN 8 CO 0.11 -0.27 -0.02 0.08 -0.55 0.00 0.00 175.29 174.63 1g6r s VAL 9 N 2.12 4.04 0.14 1.34 1.01 -1.26 -2.64 120.40 125.15 1g6r s VAL 9 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1g6r s VAL 9 Cb -0.12 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.59 1g6r s VAL 9 CO -0.07 0.52 1.06 -0.72 0.00 0.00 0.00 175.10 175.89 1g6r s TYR 10 N 0.04 0.00 0.44 5.22 -0.85 -1.17 -4.48 117.35 116.54 1g6r s TYR 10 Ca 0.01 -0.32 0.08 0.00 -0.52 0.00 0.00 57.07 56.32 1g6r s TYR 10 Cb -0.13 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.87 1g6r s TYR 10 CO 0.02 -0.78 0.48 -1.54 -1.52 0.00 0.00 175.55 172.21 1g6r s SER 11 N -3.26 5.26 -0.19 -0.18 1.04 -1.26 -0.59 113.70 114.52 1g6r s SER 11 Ca 0.19 -0.66 -0.07 0.00 0.48 0.00 0.00 55.95 55.88 1g6r s SER 11 Cb -0.01 -0.48 -0.21 0.00 0.10 0.00 0.00 66.02 65.41 1g6r s SER 11 CO 0.03 -0.77 0.11 -2.11 0.98 0.00 0.00 173.24 171.48 1g6r n ARG 12 N -1.72 0.68 -3.92 4.02 1.85 -0.90 -4.79 116.66 111.88 1g6r n ARG 12 Ca 0.06 0.28 -0.32 0.00 -1.00 0.00 0.00 57.85 56.87 1g6r n ARG 12 Cb 0.61 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 1g6r n ARG 12 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1g6r s HIS 13 N -2.51 3.52 -0.15 2.89 3.76 -1.26 -5.02 115.29 116.52 1g6r s HIS 13 Ca -0.28 0.31 -0.39 0.00 -0.15 0.00 0.00 55.06 54.54 1g6r s HIS 13 Cb 0.08 -1.80 -0.17 0.00 1.11 0.00 0.00 32.58 31.80 1g6r s HIS 13 CO 0.67 0.62 1.55 -0.35 -0.85 0.00 0.00 174.74 176.38 1g6r n PRO 14 N 0.73 0.99 -0.97 8.40 -0.04 -1.26 -4.86 135.00 137.99 1g6r n PRO 14 Ca -0.09 0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 63.36 1g6r n PRO 14 Cb 0.52 -2.00 0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1g6r n PRO 14 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1g6r n PRO 15 N 4.02 -0.11 0.00 0.54 -0.02 -1.26 -5.02 135.00 133.15 1g6r n PRO 15 Ca 0.24 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1g6r n PRO 15 Cb 0.13 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1g6r n PRO 15 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g6r n GLU 16 N 2.02 0.00 -1.56 -0.52 2.13 -1.26 -5.13 120.64 116.33 1g6r n GLU 16 Ca -0.01 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.43 1g6r n GLU 16 Cb 0.65 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.41 1g6r n GLU 16 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1g6r n ASN 17 N 0.00 0.07 0.00 4.31 5.03 -1.26 -2.67 115.26 120.74 1g6r n ASN 17 Ca 0.00 0.78 0.00 0.00 0.87 0.00 0.00 54.58 56.23 1g6r n ASN 17 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.46 1g6r n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g6r n GLY 18 N 1.48 2.48 3.79 7.41 0.00 -1.03 -5.01 105.19 114.31 1g6r n GLY 18 Ca 0.13 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1g6r n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g6r s LYS 19 N 0.00 4.32 0.19 1.61 1.02 -1.09 -4.99 119.74 120.81 1g6r s LYS 19 Ca 0.00 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 56.53 1g6r s LYS 19 Cb 0.00 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 33.94 1g6r s LYS 19 CO 0.00 0.53 1.30 -1.25 -0.92 0.00 0.00 175.35 175.00 1g6r s PRO 20 N -0.79 4.40 0.00 -1.68 0.04 -1.26 -4.30 135.00 131.41 1g6r s PRO 20 Ca 0.31 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1g6r s PRO 20 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1g6r s PRO 20 CO 0.20 -0.24 0.00 -1.71 0.04 0.00 0.00 177.00 175.29 1g6r n ASN 21 N 2.66 0.33 -3.88 6.66 4.05 0.50 -4.97 115.26 120.60 1g6r n ASN 21 Ca 0.06 -0.03 -0.11 0.00 0.45 0.00 0.00 54.58 54.95 1g6r n ASN 21 Cb 0.43 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.32 1g6r n ASN 21 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1g6r s ILE 22 N -0.70 0.05 -0.15 -1.44 1.01 -1.26 -0.48 121.20 118.24 1g6r s ILE 22 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1g6r s ILE 22 Cb 0.00 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.25 1g6r s ILE 22 CO 0.00 -0.24 -0.06 -0.22 0.00 0.00 0.00 174.94 174.42 1g6r s LEU 23 N -0.75 1.46 0.62 2.97 0.20 0.04 -2.12 118.68 121.09 1g6r s LEU 23 Ca -0.08 -0.53 -0.02 0.00 0.69 0.00 0.00 54.13 54.19 1g6r s LEU 23 Cb -0.05 -0.90 0.05 0.00 -0.43 0.00 0.00 46.19 44.86 1g6r s LEU 23 CO 0.00 -0.16 0.88 0.20 -0.29 0.00 0.00 176.35 176.99 1g6r s ASN 24 N 1.65 5.07 -0.45 3.68 -0.87 0.24 -1.49 114.94 122.77 1g6r s ASN 24 Ca 0.02 0.20 0.06 0.00 -1.57 0.00 0.00 52.86 51.58 1g6r s ASN 24 Cb -0.14 -0.98 0.21 0.00 -0.02 0.00 0.00 41.25 40.31 1g6r s ASN 24 CO -0.08 -1.35 0.59 0.00 -2.57 0.00 0.00 177.10 173.69 1g6r s TYR 26 N 0.13 1.34 -0.14 0.00 5.04 -1.08 -3.36 117.35 119.28 1g6r s TYR 26 Ca 0.32 1.31 -0.11 0.00 -2.44 0.00 0.00 57.07 56.16 1g6r s TYR 26 Cb 0.09 -3.76 -0.05 0.00 0.35 0.00 0.00 41.96 38.60 1g6r s TYR 26 CO -0.15 -2.20 0.22 0.08 -1.34 0.00 0.00 175.55 172.16 1g6r s VAL 27 N 11.54 5.36 0.21 3.14 1.01 -0.18 -3.01 120.40 138.47 1g6r s VAL 27 Ca 0.85 0.39 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1g6r s VAL 27 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1g6r s VAL 27 CO 0.18 0.50 0.27 0.35 0.00 0.00 0.00 175.10 176.40 1g6r n THR 28 N 2.83 0.00 -3.90 3.92 -2.24 -0.12 -1.54 114.28 113.24 1g6r n THR 28 Ca -0.16 -1.18 -0.32 0.00 -2.27 0.00 0.00 64.05 60.13 1g6r n THR 28 Cb 0.53 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1g6r n THR 28 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1g6r n GLN 29 N -0.36 -1.83 -4.10 -0.78 7.27 -0.89 -0.35 117.38 116.33 1g6r n GLN 29 Ca 0.01 0.34 -0.14 0.00 0.07 0.00 0.00 57.00 57.28 1g6r n GLN 29 Cb 0.36 -3.97 -0.11 0.00 2.41 0.00 0.00 30.24 28.93 1g6r n GLN 29 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1g6r s PHE 30 N -3.74 0.85 -0.26 3.69 -0.12 -1.24 -3.61 117.98 113.55 1g6r s PHE 30 Ca 0.26 -0.51 -0.25 0.00 -0.05 0.00 0.00 56.93 56.37 1g6r s PHE 30 Cb -0.11 -0.49 0.10 0.00 -0.63 0.00 0.00 43.02 41.89 1g6r s PHE 30 CO 0.90 -0.04 0.90 -1.58 -0.05 0.00 0.00 175.22 175.35 1g6r s HIS 31 N -1.49 -0.59 1.11 3.49 2.46 -1.19 -2.97 115.29 116.10 1g6r s HIS 31 Ca -0.06 1.41 -0.17 0.00 0.47 0.00 0.00 55.06 56.71 1g6r s HIS 31 Cb -0.09 0.34 0.13 0.00 -0.13 0.00 0.00 32.58 32.83 1g6r s HIS 31 CO 0.01 -0.30 0.29 -2.30 -2.47 0.00 0.00 174.74 169.96 1g6r n PRO 32 N 2.26 -1.58 -0.30 2.88 -0.02 -1.20 -2.55 135.00 134.50 1g6r n PRO 32 Ca -0.13 -0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 60.89 1g6r n PRO 32 Cb 0.56 -1.83 0.15 0.00 -0.02 0.00 0.00 33.50 32.36 1g6r n PRO 32 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1g6r h PRO 33 N -2.13 1.17 -6.43 0.52 0.11 -1.96 -3.43 132.00 119.86 1g6r h PRO 33 Ca -0.54 -0.11 -0.53 0.00 0.11 0.00 0.00 66.00 64.94 1g6r h PRO 33 Cb 1.34 -0.24 0.03 0.00 0.11 0.00 0.00 31.00 32.23 1g6r h PRO 33 CO 0.40 0.82 1.13 -1.58 -0.21 0.00 0.00 178.00 178.56 1g6r s HIS 34 N -5.86 1.90 -0.10 0.65 2.46 -1.26 -4.97 115.29 108.11 1g6r s HIS 34 Ca -0.12 -0.08 -0.28 0.00 0.47 0.00 0.00 55.06 55.05 1g6r s HIS 34 Cb 0.17 -4.14 0.07 0.00 -0.13 0.00 0.00 32.58 28.55 1g6r s HIS 34 CO 0.81 -4.83 0.65 -1.50 -2.47 0.00 0.00 174.74 167.41 1g6r s ILE 35 N 3.39 0.00 -0.22 0.89 2.07 -1.26 -4.58 121.20 121.49 1g6r s ILE 35 Ca 0.81 -0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.97 1g6r s ILE 35 Cb -0.43 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 1g6r s ILE 35 CO 0.37 -0.02 0.01 -0.70 -1.91 0.00 0.00 174.94 172.69 1g6r s GLU 36 N -0.81 3.58 -0.13 3.50 2.12 0.20 -4.89 118.70 122.27 1g6r s GLU 36 Ca -0.08 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.71 1g6r s GLU 36 Cb -0.02 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.27 1g6r s GLU 36 CO 0.07 -0.09 -0.09 0.42 -0.54 0.00 0.00 175.26 175.04 1g6r s ILE 37 N 1.27 1.21 0.03 -3.70 1.09 -1.26 0.22 121.20 120.06 1g6r s ILE 37 Ca 0.04 -0.46 0.07 0.00 -1.10 0.00 0.00 60.65 59.20 1g6r s ILE 37 Cb -0.15 -1.22 -0.03 0.00 -1.06 0.00 0.00 42.46 40.00 1g6r s ILE 37 CO 0.01 0.35 -0.20 -1.10 -0.10 0.00 0.00 174.94 173.90 1g6r s GLN 38 N 1.63 2.03 0.09 2.79 -0.21 0.53 -4.98 119.66 121.53 1g6r s GLN 38 Ca 0.04 -1.00 0.08 0.00 0.02 0.00 0.00 55.36 54.50 1g6r s GLN 38 Cb -0.13 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 1g6r s GLN 38 CO -0.09 0.54 -0.17 1.41 -2.12 0.00 0.00 175.29 174.86 1g6r s MET 39 N -1.31 1.94 -0.07 2.91 1.75 -1.26 0.75 119.30 124.01 1g6r s MET 39 Ca 0.13 -1.08 -0.30 0.00 -1.25 0.00 0.00 55.69 53.19 1g6r s MET 39 Cb -0.10 -2.17 0.09 0.00 2.84 0.00 0.00 34.83 35.49 1g6r s MET 39 CO 0.04 0.51 0.80 -0.48 -0.65 0.00 0.00 175.02 175.23 1g6r s LEU 40 N -1.89 -0.53 -0.23 4.11 -0.00 -1.00 -1.52 118.68 117.61 1g6r s LEU 40 Ca 0.17 0.50 -0.04 0.00 -0.00 0.00 0.00 54.13 54.77 1g6r s LEU 40 Cb -0.11 2.27 -0.00 0.00 -0.00 0.00 0.00 46.19 48.35 1g6r s LEU 40 CO 0.09 -0.54 -0.03 -0.75 -0.00 0.00 0.00 176.35 175.12 1g6r s LYS 41 N -1.49 3.29 -0.62 1.48 2.20 -1.17 -2.31 119.74 121.11 1g6r s LYS 41 Ca -0.06 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 1g6r s LYS 41 Cb -0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1g6r s LYS 41 CO 0.04 -0.25 0.00 0.09 -0.36 0.00 0.00 175.35 174.87 1g6r n ASN 42 N 4.79 -4.10 0.00 1.43 3.02 0.13 -2.62 115.26 117.91 1g6r n ASN 42 Ca -0.17 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1g6r n ASN 42 Cb 0.50 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.55 1g6r n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g6r n GLY 43 N -1.75 1.27 3.41 7.41 0.00 -1.26 -5.00 105.19 109.27 1g6r n GLY 43 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 1g6r n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g6r s LYS 44 N -0.54 3.05 -0.49 1.61 -2.85 -1.08 -4.99 119.74 114.45 1g6r s LYS 44 Ca 0.00 -1.16 -0.33 0.00 -1.00 0.00 0.00 55.97 53.49 1g6r s LYS 44 Cb 0.00 -4.14 -0.16 0.00 -2.06 0.00 0.00 37.83 31.47 1g6r s LYS 44 CO 0.00 -1.18 1.82 1.63 0.10 0.00 0.00 175.35 177.72 1g6r n LYS 45 N 5.75 0.00 -1.77 1.78 4.76 -1.26 -3.06 118.16 124.36 1g6r n LYS 45 Ca -0.10 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 1g6r n LYS 45 Cb 0.44 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.43 1g6r n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1g6r n ILE 46 N 5.38 1.65 0.00 -0.18 5.41 -0.58 -4.89 119.36 126.16 1g6r n ILE 46 Ca 0.46 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1g6r n ILE 46 Cb -0.02 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 1g6r n ILE 46 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1g6r n PRO 47 N 1.05 0.00 -1.52 0.38 -0.04 -1.26 -4.66 135.00 128.95 1g6r n PRO 47 Ca 0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.25 1g6r n PRO 47 Cb 0.38 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.70 1g6r n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1g6r n LYS 48 N 0.00 0.30 -3.91 0.54 5.02 -1.26 -4.90 118.16 113.95 1g6r n LYS 48 Ca 0.00 -0.25 -0.35 0.00 -2.02 0.00 0.00 58.31 55.69 1g6r n LYS 48 Cb 0.00 -2.20 -0.14 0.00 -0.02 0.00 0.00 35.03 32.67 1g6r n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g6r s VAL 49 N 7.60 3.17 0.55 -0.18 1.01 -1.26 -4.70 120.40 126.59 1g6r s VAL 49 Ca 1.17 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 1g6r s VAL 49 Cb -0.63 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1g6r s VAL 49 CO 0.37 0.20 1.14 -1.61 0.00 0.00 0.00 175.10 175.20 1g6r s GLU 50 N 1.38 3.29 -0.12 2.72 0.41 -0.93 -4.94 118.70 120.51 1g6r s GLU 50 Ca 0.01 1.65 -0.04 0.00 -0.41 0.00 0.00 54.97 56.18 1g6r s GLU 50 Cb -0.16 -1.99 0.06 0.00 -1.78 0.00 0.00 34.13 30.25 1g6r s GLU 50 CO -0.03 -0.91 0.23 -1.64 -0.49 0.00 0.00 175.26 172.42 1g6r s MET 51 N -3.30 0.11 0.62 1.61 -1.94 -1.26 -3.10 119.30 112.04 1g6r s MET 51 Ca 0.73 0.69 -0.13 0.00 -1.71 0.00 0.00 55.69 55.28 1g6r s MET 51 Cb -0.25 -0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.45 1g6r s MET 51 CO 0.28 -0.29 1.04 -1.54 -0.01 0.00 0.00 175.02 174.50 1g6r s SER 52 N 2.38 5.90 0.46 3.03 1.04 -0.97 -5.00 113.70 120.55 1g6r s SER 52 Ca 0.02 1.59 -0.23 0.00 0.48 0.00 0.00 55.95 57.81 1g6r s SER 52 Cb -0.12 -2.50 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 1g6r s SER 52 CO -0.08 -1.09 1.21 -1.81 0.98 0.00 0.00 173.24 172.45 1g6r s ASP 53 N -3.58 6.07 0.72 7.02 1.11 -1.26 -4.72 116.67 122.03 1g6r s ASP 53 Ca 0.58 2.41 -0.13 0.00 0.18 0.00 0.00 52.55 55.59 1g6r s ASP 53 Cb -0.13 -2.61 0.03 0.00 1.07 0.00 0.00 42.92 41.28 1g6r s ASP 53 CO 0.47 -0.99 1.10 -0.32 1.18 0.00 0.00 175.17 176.61 1g6r s MET 54 N -2.66 2.47 0.00 8.23 -2.45 -1.26 -4.84 119.30 118.79 1g6r s MET 54 Ca 0.64 1.29 0.00 0.00 -1.25 0.00 0.00 55.69 56.37 1g6r s MET 54 Cb -0.31 -1.92 0.00 0.00 1.25 0.00 0.00 34.83 33.85 1g6r s MET 54 CO 0.38 -1.49 0.00 0.43 1.05 0.00 0.00 175.02 175.39 1g6r n SER 55 N -3.02 0.00 -3.64 1.11 7.64 -0.99 -4.99 113.62 109.73 1g6r n SER 55 Ca 0.10 -0.55 -0.04 0.00 1.01 0.00 0.00 58.87 59.38 1g6r n SER 55 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1g6r n SER 55 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1g6r s PHE 56 N -4.24 -0.62 1.40 1.43 -0.12 -1.26 -2.00 117.98 112.57 1g6r s PHE 56 Ca 0.00 1.29 -0.23 0.00 -0.05 0.00 0.00 56.93 57.95 1g6r s PHE 56 Cb 0.00 0.39 0.36 0.00 -0.63 0.00 0.00 43.02 43.14 1g6r s PHE 56 CO 0.00 -0.31 0.95 -1.12 -0.05 0.00 0.00 175.22 174.69 1g6r s SER 57 N 1.15 -0.89 0.19 1.98 0.01 0.19 -4.88 113.70 111.46 1g6r s SER 57 Ca -0.07 0.82 0.21 0.00 1.31 0.00 0.00 55.95 58.23 1g6r s SER 57 Cb -0.04 -1.16 0.88 0.00 0.21 0.00 0.00 66.02 65.91 1g6r s SER 57 CO -0.14 -5.25 1.64 0.29 0.41 0.00 0.00 173.24 170.19 1g6r n LYS 58 N -5.56 0.14 -0.48 12.44 4.01 -1.26 -2.44 118.16 125.01 1g6r n LYS 58 Ca 0.13 0.39 0.09 0.00 -0.51 0.00 0.00 58.31 58.41 1g6r n LYS 58 Cb 0.60 -1.78 0.32 0.00 -0.51 0.00 0.00 35.03 33.66 1g6r n LYS 58 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1g6r n ASP 59 N -2.05 4.09 0.00 4.39 5.75 -1.26 -4.93 116.55 122.54 1g6r n ASP 59 Ca 0.02 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1g6r n ASP 59 Cb 0.21 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1g6r n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1g6r n TRP 60 N 1.17 0.00 -1.67 2.11 5.03 -1.02 -5.03 117.44 118.03 1g6r n TRP 60 Ca 0.23 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.35 1g6r n TRP 60 Cb 0.73 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 31.02 1g6r n TRP 60 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1g6r n SER 61 N 0.26 2.16 -4.95 -0.99 3.41 -1.26 -4.61 113.62 107.64 1g6r n SER 61 Ca 0.00 1.09 -0.24 0.00 -0.26 0.00 0.00 58.87 59.47 1g6r n SER 61 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 1g6r n SER 61 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1g6r s PHE 62 N -1.21 3.35 -0.11 7.33 0.40 -1.16 0.57 117.98 127.16 1g6r s PHE 62 Ca 0.61 0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 57.17 1g6r s PHE 62 Cb -0.53 -2.14 0.04 0.00 0.51 0.00 0.00 43.02 40.89 1g6r s PHE 62 CO 0.58 -0.16 0.29 1.52 0.70 0.00 0.00 175.22 178.15 1g6r s TYR 63 N -2.47 -0.35 -0.05 0.36 -0.85 -0.85 -2.09 117.35 111.05 1g6r s TYR 63 Ca 0.45 0.83 -0.05 0.00 -0.52 0.00 0.00 57.07 57.78 1g6r s TYR 63 Cb -0.10 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.36 1g6r s TYR 63 CO 0.38 -0.19 0.14 -1.50 -1.52 0.00 0.00 175.55 172.85 1g6r s ILE 64 N 0.57 0.00 -0.15 -3.49 1.10 -0.59 -2.35 121.20 116.29 1g6r s ILE 64 Ca -0.03 -0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.07 1g6r s ILE 64 Cb -0.05 -0.21 -0.01 0.00 0.15 0.00 0.00 42.46 42.34 1g6r s ILE 64 CO -0.03 -0.02 -0.13 -0.22 -2.11 0.00 0.00 174.94 172.43 1g6r s LEU 65 N 0.01 2.62 -0.04 8.50 0.20 -1.26 -1.02 118.68 127.70 1g6r s LEU 65 Ca -0.01 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.44 1g6r s LEU 65 Cb -0.01 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 1g6r s LEU 65 CO 0.00 0.10 -0.13 0.00 -0.29 0.00 0.00 176.35 176.04 1g6r s ALA 66 N 0.73 2.74 -0.12 5.97 0.00 -1.21 -2.28 121.76 127.59 1g6r s ALA 66 Ca -0.06 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 1g6r s ALA 66 Cb -0.15 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.00 1g6r s ALA 66 CO 0.01 0.57 0.31 -3.38 0.00 0.00 0.00 175.76 173.27 1g6r s HIS 67 N -0.78 -0.36 -0.10 0.00 -0.00 -1.18 0.96 115.29 113.83 1g6r s HIS 67 Ca 0.12 0.87 0.04 0.00 -0.00 0.00 0.00 55.06 56.09 1g6r s HIS 67 Cb -0.11 0.12 -0.00 0.00 -0.00 0.00 0.00 32.58 32.59 1g6r s HIS 67 CO 0.02 -0.19 -0.22 0.99 -0.00 0.00 0.00 174.74 175.33 1g6r s THR 68 N 0.43 2.24 0.26 -5.38 2.01 -0.56 -2.19 115.64 112.46 1g6r s THR 68 Ca -0.02 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1g6r s THR 68 Cb -0.04 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.51 1g6r s THR 68 CO -0.02 0.56 1.28 -1.83 -0.69 0.00 0.00 174.62 173.91 1g6r s GLU 69 N 0.25 4.42 0.28 4.92 -1.05 -1.26 -0.78 118.70 125.48 1g6r s GLU 69 Ca -0.15 2.08 -0.19 0.00 -0.15 0.00 0.00 54.97 56.56 1g6r s GLU 69 Cb -0.17 -3.15 0.07 0.00 -0.44 0.00 0.00 34.13 30.44 1g6r s GLU 69 CO 0.08 -0.16 0.92 -0.59 0.95 0.00 0.00 175.26 176.46 1g6r s PHE 70 N -0.55 0.10 -0.19 4.83 -0.71 0.37 -4.91 117.98 116.93 1g6r s PHE 70 Ca 0.52 -0.63 -0.04 0.00 -1.04 0.00 0.00 56.93 55.74 1g6r s PHE 70 Cb -0.37 0.77 0.08 0.00 -1.21 0.00 0.00 43.02 42.29 1g6r s PHE 70 CO 0.44 -1.23 0.20 0.99 -1.34 0.00 0.00 175.22 174.28 1g6r s THR 71 N -2.21 -0.29 0.42 -4.49 2.01 -1.26 0.19 115.64 110.01 1g6r s THR 71 Ca 0.19 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 1g6r s THR 71 Cb -0.04 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 1g6r s THR 71 CO 0.08 -0.17 1.38 -2.16 -0.69 0.00 0.00 174.62 173.06 1g6r s PRO 72 N 2.30 3.87 -0.34 4.92 0.04 -1.26 -4.88 135.00 139.65 1g6r s PRO 72 Ca 0.06 2.33 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1g6r s PRO 72 Cb -0.15 -2.75 0.16 0.00 0.04 0.00 0.00 34.50 31.80 1g6r s PRO 72 CO -0.11 -0.64 0.41 -0.08 0.04 0.00 0.00 177.00 176.62 1g6r s THR 73 N -1.21 -0.51 0.00 1.26 -1.32 -1.26 -2.46 115.64 110.14 1g6r s THR 73 Ca 0.58 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1g6r s THR 73 Cb -0.42 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1g6r s THR 73 CO 0.54 -0.42 0.00 1.21 -2.21 0.00 0.00 174.62 173.74 1g6r n GLU 74 N 4.71 0.00 0.01 7.08 4.07 -1.26 -2.19 120.64 133.06 1g6r n GLU 74 Ca 0.07 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.16 1g6r n GLU 74 Cb 0.48 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1g6r n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1g6r h THR 75 N 0.00 0.00 -1.93 6.31 1.03 -2.03 -3.48 112.91 112.81 1g6r h THR 75 Ca 0.00 -0.12 -0.46 0.00 -0.01 0.00 0.00 66.41 65.81 1g6r h THR 75 Cb 0.00 0.00 0.24 0.00 -1.07 0.00 0.00 68.15 67.32 1g6r h THR 75 CO 0.00 0.00 -1.56 -0.90 -0.01 0.00 0.00 175.52 173.05 1g6r n ASP 76 N -2.45 -2.56 -4.07 0.00 3.85 -0.93 -5.05 116.55 105.35 1g6r n ASP 76 Ca -0.01 -0.10 -0.13 0.00 -0.71 0.00 0.00 54.79 53.85 1g6r n ASP 76 Cb 0.02 -0.83 -0.10 0.00 -1.35 0.00 0.00 41.12 38.86 1g6r n ASP 76 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1g6r s THR 77 N -2.17 0.00 0.02 2.12 -4.23 -1.26 -4.83 115.64 105.29 1g6r s THR 77 Ca 0.50 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1g6r s THR 77 Cb -0.05 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 1g6r s THR 77 CO 0.66 0.00 0.09 -0.31 -0.54 0.00 0.00 174.62 174.52 1g6r s TYR 78 N -4.05 0.13 0.21 3.99 1.51 -1.26 -0.69 117.35 117.20 1g6r s TYR 78 Ca 0.39 -0.33 -0.22 0.00 -1.01 0.00 0.00 57.07 55.90 1g6r s TYR 78 Cb 0.06 -0.11 0.05 0.00 -0.11 0.00 0.00 41.96 41.85 1g6r s TYR 78 CO 0.14 -0.29 0.69 0.00 -1.11 0.00 0.00 175.55 174.98 1g6r s ALA 79 N -1.79 -1.42 -0.07 3.71 0.00 -0.98 -0.14 121.76 121.06 1g6r s ALA 79 Ca -0.12 0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1g6r s ALA 79 Cb -0.06 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1g6r s ALA 79 CO -0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 175.76 174.66 1g6r s ARG 81 N 0.44 3.47 0.19 0.00 3.52 0.23 0.56 118.95 127.37 1g6r s ARG 81 Ca -0.14 -0.61 0.09 0.00 -0.13 0.00 0.00 55.73 54.93 1g6r s ARG 81 Cb -0.16 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1g6r s ARG 81 CO 0.05 0.08 -0.17 0.14 -0.81 0.00 0.00 175.30 174.59 1g6r s VAL 82 N 0.74 1.88 -0.04 7.11 -7.23 0.31 0.20 120.40 123.37 1g6r s VAL 82 Ca -0.03 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1g6r s VAL 82 Cb -0.15 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.84 1g6r s VAL 82 CO 0.02 -0.43 0.02 -0.75 -0.31 0.00 0.00 175.10 173.65 1g6r s LYS 83 N -3.20 0.19 -0.09 4.82 2.20 0.61 -1.40 119.74 122.87 1g6r s LYS 83 Ca 0.20 0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.95 1g6r s LYS 83 Cb -0.04 -0.53 0.05 0.00 -1.51 0.00 0.00 37.83 35.80 1g6r s LYS 83 CO 0.08 -0.22 0.20 -1.58 -0.36 0.00 0.00 175.35 173.47 1g6r s HIS 84 N 1.48 -0.26 0.36 4.03 2.46 -1.26 0.61 115.29 122.71 1g6r s HIS 84 Ca -0.03 0.69 0.17 0.00 0.47 0.00 0.00 55.06 56.36 1g6r s HIS 84 Cb -0.13 -0.07 0.59 0.00 -0.13 0.00 0.00 32.58 32.84 1g6r s HIS 84 CO -0.03 -0.24 0.79 -0.25 -2.47 0.00 0.00 174.74 172.54 1g6r n ASP 85 N 4.64 0.00 0.00 9.88 8.00 -1.26 -2.65 116.55 135.15 1g6r n ASP 85 Ca -0.18 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1g6r n ASP 85 Cb 0.51 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1g6r n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1g6r n SER 86 N -2.51 0.00 -4.59 -2.24 3.41 -1.26 -4.79 113.62 101.63 1g6r n SER 86 Ca 0.15 0.05 -0.54 0.00 -0.26 0.00 0.00 58.87 58.27 1g6r n SER 86 Cb 0.94 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.83 1g6r n SER 86 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1g6r n MET 87 N -0.10 0.94 0.29 4.33 0.00 -1.08 -4.90 117.12 116.59 1g6r n MET 87 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 57.70 57.88 1g6r n MET 87 Cb 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 33.22 31.18 1g6r n MET 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1g6r h ALA 88 N 4.64 -1.13 -2.84 3.17 0.00 -1.86 -3.42 119.26 117.81 1g6r h ALA 88 Ca -0.48 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 1g6r h ALA 88 Cb 1.35 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1g6r h ALA 88 CO 0.78 -1.14 -0.16 -1.21 0.00 0.00 0.00 179.25 177.52 1g6r s GLU 89 N -5.36 4.19 0.51 0.00 0.41 -1.26 -5.04 118.70 112.15 1g6r s GLU 89 Ca -0.15 0.44 -0.19 0.00 -0.41 0.00 0.00 54.97 54.65 1g6r s GLU 89 Cb 0.03 -3.35 -0.11 0.00 -1.78 0.00 0.00 34.13 28.92 1g6r s GLU 89 CO 0.49 0.37 0.43 -2.30 -0.49 0.00 0.00 175.26 173.77 1g6r n PRO 90 N 2.92 0.46 -5.21 0.39 -0.02 -1.26 -4.96 135.00 127.31 1g6r n PRO 90 Ca -0.10 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 1g6r n PRO 90 Cb 0.52 -1.54 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 1g6r n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1g6r s LYS 91 N -1.76 2.28 0.21 -0.52 2.20 -0.49 -4.98 119.74 116.68 1g6r s LYS 91 Ca 0.65 -0.88 0.11 0.00 -0.36 0.00 0.00 55.97 55.49 1g6r s LYS 91 Cb -0.50 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1g6r s LYS 91 CO 0.57 0.54 -0.21 -0.08 -0.36 0.00 0.00 175.35 175.81 1g6r s THR 92 N -0.55 2.21 -0.14 3.43 -1.32 -1.25 0.11 115.64 118.12 1g6r s THR 92 Ca 0.08 -2.10 -0.08 0.00 -1.21 0.00 0.00 61.69 58.38 1g6r s THR 92 Cb -0.11 -2.09 0.05 0.00 -1.51 0.00 0.00 72.50 68.85 1g6r s THR 92 CO 0.00 -0.26 0.35 -0.69 -2.21 0.00 0.00 174.62 171.81 1g6r s VAL 93 N -2.04 -0.03 0.09 5.08 1.01 0.19 -4.92 120.40 119.78 1g6r s VAL 93 Ca 0.22 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1g6r s VAL 93 Cb -0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 1g6r s VAL 93 CO 0.10 0.04 0.55 -0.31 0.00 0.00 0.00 175.10 175.48 1g6r s TYR 94 N 1.29 3.74 -0.17 5.22 1.51 -1.26 0.18 117.35 127.86 1g6r s TYR 94 Ca -0.09 1.18 -0.29 0.00 -1.01 0.00 0.00 57.07 56.86 1g6r s TYR 94 Cb -0.09 -2.44 -0.05 0.00 -0.11 0.00 0.00 41.96 39.28 1g6r s TYR 94 CO -0.11 0.55 1.91 -0.46 -1.11 0.00 0.00 175.55 176.33 1g6r s TRP 95 N -1.21 1.58 -0.70 2.71 -0.00 0.80 -4.89 118.94 117.23 1g6r s TRP 95 Ca 0.31 0.32 -0.05 0.00 -0.00 0.00 0.00 56.10 56.68 1g6r s TRP 95 Cb -0.18 -4.04 0.02 0.00 -0.00 0.00 0.00 33.47 29.27 1g6r s TRP 95 CO 0.18 -3.92 2.81 -3.47 -0.00 0.00 0.00 176.95 172.55 1g6r n ASP 96 N 9.46 6.88 0.00 5.86 -0.08 -1.26 -4.84 116.55 132.57 1g6r n ASP 96 Ca 0.23 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.47 1g6r n ASP 96 Cb 0.44 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1g6r n ASP 96 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1g6r n ARG 97 N 1.52 0.00 -3.34 -0.67 0.63 -1.26 -2.81 116.66 110.73 1g6r n ARG 97 Ca 0.54 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 57.07 1g6r n ARG 97 Cb 0.50 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.38 1g6r n ARG 97 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1g6r n ASP 98 N 0.00 5.19 0.00 6.15 3.85 -1.26 -4.88 116.55 125.60 1g6r n ASP 98 Ca 0.00 -3.23 0.00 0.00 -0.71 0.00 0.00 54.79 50.85 1g6r n ASP 98 Cb 0.00 -1.16 0.00 0.00 -1.35 0.00 0.00 41.12 38.61 1g6r n ASP 98 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99