#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7u s GLN 2 N 0.00 4.43 -0.13 0.38 -0.21 -1.26 -4.72 119.66 118.16 1s7u s GLN 2 Ca 0.00 2.06 0.03 0.00 0.02 0.00 0.00 55.36 57.47 1s7u s GLN 2 Cb 0.00 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.87 1s7u s GLN 2 CO 0.00 -0.12 -0.23 0.15 -2.12 0.00 0.00 175.29 172.97 1s7u s LYS 3 N -1.06 3.03 0.13 2.91 1.02 -0.48 -4.94 119.74 120.36 1s7u s LYS 3 Ca 0.51 -0.86 -0.25 0.00 0.02 0.00 0.00 55.97 55.39 1s7u s LYS 3 Cb -0.37 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.48 1s7u s LYS 3 CO 0.45 0.06 0.76 -0.08 -0.92 0.00 0.00 175.35 175.61 1s7u s THR 4 N 0.64 4.47 0.25 2.17 -1.32 -1.26 -1.98 115.64 118.61 1s7u s THR 4 Ca -0.11 1.66 -0.30 0.00 -1.21 0.00 0.00 61.69 61.72 1s7u s THR 4 Cb -0.16 -4.12 -0.10 0.00 -1.51 0.00 0.00 72.50 66.61 1s7u s THR 4 CO 0.02 0.49 1.48 -2.16 -2.21 0.00 0.00 174.62 172.25 1s7u s PRO 5 N -0.92 4.23 -0.01 7.08 0.04 -1.26 -4.54 135.00 139.63 1s7u s PRO 5 Ca 0.36 2.36 -0.16 0.00 0.04 0.00 0.00 61.00 63.60 1s7u s PRO 5 Cb -0.22 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 1s7u s PRO 5 CO 0.25 -0.48 0.45 -0.65 0.04 0.00 0.00 177.00 176.61 1s7u s GLN 6 N -0.25 4.05 -0.07 4.56 -1.52 -0.39 -4.93 119.66 121.11 1s7u s GLN 6 Ca 0.61 0.48 0.02 0.00 -1.95 0.00 0.00 55.36 54.53 1s7u s GLN 6 Cb -0.43 -3.26 0.01 0.00 -0.22 0.00 0.00 33.01 29.11 1s7u s GLN 6 CO 0.43 0.59 -0.12 0.42 -0.25 0.00 0.00 175.29 176.36 1s7u s ILE 7 N -0.79 1.15 -0.05 1.08 1.01 -1.26 -1.33 121.20 121.01 1s7u s ILE 7 Ca 0.25 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1s7u s ILE 7 Cb -0.17 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 1s7u s ILE 7 CO 0.14 0.36 -0.20 -1.10 0.00 0.00 0.00 174.94 174.14 1s7u s GLN 8 N 0.72 2.16 -0.12 2.79 -0.21 -0.57 -5.00 119.66 119.42 1s7u s GLN 8 Ca -0.13 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.54 1s7u s GLN 8 Cb -0.16 -1.82 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 1s7u s GLN 8 CO 0.03 0.27 -0.18 0.08 -2.12 0.00 0.00 175.29 173.38 1s7u s VAL 9 N 0.04 2.61 -0.03 1.09 1.01 -1.26 -0.98 120.40 122.88 1s7u s VAL 9 Ca -0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1s7u s VAL 9 Cb -0.13 -2.07 0.11 0.00 0.00 0.00 0.00 36.38 34.29 1s7u s VAL 9 CO 0.03 0.54 0.98 -0.72 0.00 0.00 0.00 175.10 175.93 1s7u s TYR 10 N 0.41 -0.26 0.16 5.22 1.13 -0.84 -4.52 117.35 118.65 1s7u s TYR 10 Ca -0.13 0.13 -0.02 0.00 -1.41 0.00 0.00 57.07 55.64 1s7u s TYR 10 Cb -0.17 0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 1s7u s TYR 10 CO 0.06 -0.49 0.36 -1.54 -2.51 0.00 0.00 175.55 171.44 1s7u s SER 11 N -2.48 6.42 0.10 -0.18 1.04 -1.26 0.22 113.70 117.56 1s7u s SER 11 Ca 0.07 0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.80 1s7u s SER 11 Cb -0.01 -2.03 -0.07 0.00 0.10 0.00 0.00 66.02 64.01 1s7u s SER 11 CO -0.07 0.02 1.47 -0.09 0.98 0.00 0.00 173.24 175.55 1s7u h ARG 12 N 2.44 0.64 -6.18 4.02 2.43 -1.51 -3.45 114.38 112.76 1s7u h ARG 12 Ca -0.47 -0.27 -0.53 0.00 -0.81 0.00 0.00 59.98 57.90 1s7u h ARG 12 Cb 1.18 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 1s7u h ARG 12 CO 0.71 0.85 -0.57 -1.01 -1.51 0.00 0.00 179.97 178.44 1s7u s HIS 13 N -4.64 2.85 -0.14 2.20 3.76 -1.26 -5.06 115.29 113.00 1s7u s HIS 13 Ca -0.13 -0.22 -0.36 0.00 -0.15 0.00 0.00 55.06 54.20 1s7u s HIS 13 Cb 0.09 -1.38 -0.13 0.00 1.11 0.00 0.00 32.58 32.27 1s7u s HIS 13 CO 0.80 0.51 1.83 -2.30 -0.85 0.00 0.00 174.74 174.73 1s7u n PRO 14 N -1.07 1.87 -1.82 8.40 -0.02 -1.26 -4.90 135.00 136.20 1s7u n PRO 14 Ca -0.06 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 1s7u n PRO 14 Cb 0.59 -2.48 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1s7u n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7u s PRO 15 N 3.83 3.09 -0.30 0.52 0.04 -1.26 -5.03 135.00 135.90 1s7u s PRO 15 Ca 0.94 2.17 -0.09 0.00 0.04 0.00 0.00 61.00 64.06 1s7u s PRO 15 Cb -0.81 -2.20 0.14 0.00 0.04 0.00 0.00 34.50 31.68 1s7u s PRO 15 CO 0.55 -1.21 0.65 -2.00 0.04 0.00 0.00 177.00 175.04 1s7u s GLU 16 N -2.98 0.58 0.13 4.56 2.12 -1.26 -5.13 118.70 116.72 1s7u s GLU 16 Ca 0.73 1.40 -0.31 0.00 0.36 0.00 0.00 54.97 57.14 1s7u s GLU 16 Cb -0.39 0.84 -0.10 0.00 0.26 0.00 0.00 34.13 34.74 1s7u s GLU 16 CO 0.45 -0.25 1.63 -0.80 -0.54 0.00 0.00 175.26 175.75 1s7u s ASN 17 N 2.89 6.56 0.00 -1.70 0.01 -1.26 -1.88 114.94 119.57 1s7u s ASN 17 Ca -0.03 2.60 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 1s7u s ASN 17 Cb -0.12 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1s7u s ASN 17 CO -0.19 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.14 1s7u n GLY 18 N 3.89 1.01 3.49 0.66 0.00 -0.81 -5.00 105.19 108.43 1s7u n GLY 18 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1s7u n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7u s LYS 19 N -0.95 3.68 0.19 1.61 2.20 -0.79 -4.97 119.74 120.71 1s7u s LYS 19 Ca 0.00 -0.48 -0.32 0.00 -0.36 0.00 0.00 55.97 54.81 1s7u s LYS 19 Cb 0.00 -3.50 -0.16 0.00 -1.51 0.00 0.00 37.83 32.66 1s7u s LYS 19 CO 0.00 -0.24 1.03 -2.30 -0.36 0.00 0.00 175.35 173.48 1s7u n PRO 20 N 4.99 0.94 -3.16 4.03 -0.02 -1.26 -4.31 135.00 136.21 1s7u n PRO 20 Ca -0.15 0.33 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 1s7u n PRO 20 Cb 0.51 -1.74 -0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1s7u n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7u n ASN 21 N 1.82 -1.32 -3.96 2.55 2.85 0.76 -4.98 115.26 112.98 1s7u n ASN 21 Ca 0.15 -2.27 -0.24 0.00 -0.11 0.00 0.00 54.58 52.12 1s7u n ASN 21 Cb 0.25 2.30 -0.17 0.00 1.24 0.00 0.00 39.78 43.40 1s7u n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7u s ILE 22 N -2.54 0.92 -0.14 -1.44 -1.09 -1.26 -1.48 121.20 114.17 1s7u s ILE 22 Ca 0.16 -0.32 -0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1s7u s ILE 22 Cb -0.02 -0.89 -0.05 0.00 -1.58 0.00 0.00 42.46 39.92 1s7u s ILE 22 CO 0.12 0.32 0.17 -0.22 -1.23 0.00 0.00 174.94 174.09 1s7u s LEU 23 N 0.98 4.32 0.00 2.97 2.96 -0.39 -1.15 118.68 128.37 1s7u s LEU 23 Ca -0.09 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 1s7u s LEU 23 Cb -0.15 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1s7u s LEU 23 CO 0.00 0.30 -0.10 0.20 -1.32 0.00 0.00 176.35 175.43 1s7u s ASN 24 N -0.41 4.40 -0.34 3.68 0.01 0.13 -1.80 114.94 120.61 1s7u s ASN 24 Ca 0.13 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1s7u s ASN 24 Cb -0.12 -0.96 0.11 0.00 0.41 0.00 0.00 41.25 40.69 1s7u s ASN 24 CO 0.02 0.29 0.13 0.00 -1.51 0.00 0.00 177.10 176.03 1s7u s TYR 26 N 1.24 3.19 -0.23 0.00 5.04 -0.15 -1.38 117.35 125.05 1s7u s TYR 26 Ca 0.12 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 1s7u s TYR 26 Cb -0.19 -2.91 0.03 0.00 0.35 0.00 0.00 41.96 39.24 1s7u s TYR 26 CO -0.17 -0.51 -0.11 0.08 -1.34 0.00 0.00 175.55 173.50 1s7u s VAL 27 N 2.41 2.47 0.35 3.14 1.01 -0.38 -1.52 120.40 127.88 1s7u s VAL 27 Ca 0.20 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1s7u s VAL 27 Cb -0.15 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1s7u s VAL 27 CO 0.13 0.25 0.06 0.42 0.00 0.00 0.00 175.10 175.96 1s7u s THR 28 N 1.26 1.19 -1.31 3.92 -4.23 -0.44 -0.51 115.64 115.52 1s7u s THR 28 Ca -0.01 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1s7u s THR 28 Cb -0.16 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1s7u s THR 28 CO -0.07 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.52 1s7u n GLN 29 N -0.76 -4.10 -4.28 3.99 1.13 -0.50 -1.26 117.38 111.59 1s7u n GLN 29 Ca -0.03 0.77 -0.24 0.00 -1.94 0.00 0.00 57.00 55.56 1s7u n GLN 29 Cb 0.66 -5.33 -0.08 0.00 0.11 0.00 0.00 30.24 25.61 1s7u n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1s7u s PHE 30 N -3.08 2.62 -0.29 1.08 -0.71 -1.05 -4.16 117.98 112.39 1s7u s PHE 30 Ca 0.25 -0.33 -0.17 0.00 -1.04 0.00 0.00 56.93 55.63 1s7u s PHE 30 Cb -0.11 -1.37 0.15 0.00 -1.21 0.00 0.00 43.02 40.48 1s7u s PHE 30 CO 0.31 0.52 1.01 -1.58 -1.34 0.00 0.00 175.22 174.14 1s7u s HIS 31 N -2.42 -0.53 1.04 3.49 2.46 -0.84 -1.86 115.29 116.64 1s7u s HIS 31 Ca 0.34 1.08 -0.15 0.00 0.47 0.00 0.00 55.06 56.79 1s7u s HIS 31 Cb -0.03 0.34 0.21 0.00 -0.13 0.00 0.00 32.58 32.97 1s7u s HIS 31 CO 0.20 -0.26 1.15 -1.25 -2.47 0.00 0.00 174.74 172.11 1s7u s PRO 32 N 1.15 0.04 0.52 2.88 0.04 -1.26 -1.38 135.00 136.99 1s7u s PRO 32 Ca -0.07 0.10 0.33 0.00 0.04 0.00 0.00 61.00 61.39 1s7u s PRO 32 Cb -0.04 -1.73 1.33 0.00 0.04 0.00 0.00 34.50 34.10 1s7u s PRO 32 CO -0.14 -2.90 1.96 -1.00 0.04 0.00 0.00 177.00 174.96 1s7u h PRO 33 N -2.00 0.00 -6.50 0.56 0.13 -2.00 -3.44 132.00 118.74 1s7u h PRO 33 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1s7u h PRO 33 Cb 1.30 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.46 1s7u h PRO 33 CO 0.48 0.00 0.90 -1.58 -0.23 0.00 0.00 178.00 177.57 1s7u s HIS 34 N -3.63 2.79 0.01 1.56 2.46 -1.26 -4.98 115.29 112.24 1s7u s HIS 34 Ca 0.01 0.56 -0.28 0.00 0.47 0.00 0.00 55.06 55.83 1s7u s HIS 34 Cb 0.09 -3.88 0.07 0.00 -0.13 0.00 0.00 32.58 28.73 1s7u s HIS 34 CO 0.53 -3.36 0.64 -1.50 -2.47 0.00 0.00 174.74 168.58 1s7u s ILE 35 N 1.92 0.00 -0.13 0.89 2.07 -1.26 -4.67 121.20 120.02 1s7u s ILE 35 Ca 0.70 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1s7u s ILE 35 Cb -0.40 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.22 1s7u s ILE 35 CO 0.31 -0.02 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.55 1s7u s GLU 36 N -1.97 2.46 -0.09 3.50 2.02 -0.65 -5.01 118.70 118.96 1s7u s GLU 36 Ca -0.07 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.30 1s7u s GLU 36 Cb -0.00 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.13 1s7u s GLU 36 CO 0.03 -0.11 -0.15 0.42 0.02 0.00 0.00 175.26 175.46 1s7u s ILE 37 N 1.12 1.44 0.00 -1.63 1.01 -1.26 -0.95 121.20 120.93 1s7u s ILE 37 Ca -0.02 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1s7u s ILE 37 Cb -0.14 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1s7u s ILE 37 CO -0.05 0.43 -0.19 -1.10 0.00 0.00 0.00 174.94 174.03 1s7u s GLN 38 N 0.82 1.43 -0.05 2.79 -0.21 -0.36 -4.99 119.66 119.09 1s7u s GLN 38 Ca -0.10 -0.73 -0.00 0.00 0.02 0.00 0.00 55.36 54.54 1s7u s GLN 38 Cb -0.16 -1.42 -0.03 0.00 1.00 0.00 0.00 33.01 32.40 1s7u s GLN 38 CO 0.01 0.38 -0.01 -1.64 -2.12 0.00 0.00 175.29 171.91 1s7u s MET 39 N -0.66 2.86 0.05 2.91 -1.94 -1.26 -0.58 119.30 120.68 1s7u s MET 39 Ca 0.07 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.62 1s7u s MET 39 Cb -0.08 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1s7u s MET 39 CO 0.00 0.67 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.95 1s7u s LEU 40 N -1.10 2.18 -0.15 -0.03 1.43 -0.08 -1.07 118.68 119.85 1s7u s LEU 40 Ca 0.15 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1s7u s LEU 40 Cb -0.11 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1s7u s LEU 40 CO 0.05 0.17 -0.10 -0.75 0.23 0.00 0.00 176.35 175.95 1s7u s LYS 41 N -1.26 1.84 -1.57 1.70 2.20 0.64 -1.90 119.74 121.39 1s7u s LYS 41 Ca 0.08 -0.53 -0.13 0.00 -0.36 0.00 0.00 55.97 55.04 1s7u s LYS 41 Cb -0.09 -2.01 0.10 0.00 -1.51 0.00 0.00 37.83 34.32 1s7u s LYS 41 CO 0.02 -0.33 0.80 0.09 -0.36 0.00 0.00 175.35 175.57 1s7u n ASN 42 N 4.82 -3.28 0.00 1.43 3.02 -0.16 -1.23 115.26 119.87 1s7u n ASN 42 Ca -0.14 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1s7u n ASN 42 Cb 0.49 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 1s7u n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7u n GLY 43 N -1.61 0.73 3.50 7.41 0.00 -1.26 -5.01 105.19 108.95 1s7u n GLY 43 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1s7u n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7u s LYS 44 N -0.05 3.69 0.01 1.61 2.20 -0.36 -5.05 119.74 121.79 1s7u s LYS 44 Ca 0.00 -0.51 -0.37 0.00 -0.36 0.00 0.00 55.97 54.73 1s7u s LYS 44 Cb 0.00 -2.96 -0.16 0.00 -1.51 0.00 0.00 37.83 33.19 1s7u s LYS 44 CO 0.00 0.21 1.43 1.17 -0.36 0.00 0.00 175.35 177.80 1s7u n LYS 45 N 3.64 1.19 -2.88 4.03 4.81 -1.26 -0.26 118.16 127.43 1s7u n LYS 45 Ca -0.17 0.43 -0.42 0.00 -0.87 0.00 0.00 58.31 57.28 1s7u n LYS 45 Cb 0.52 -2.09 -0.04 0.00 0.02 0.00 0.00 35.03 33.45 1s7u n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s7u s ILE 46 N 1.14 4.84 0.09 3.15 1.01 -0.24 -4.82 121.20 126.38 1s7u s ILE 46 Ca 0.87 1.61 -0.31 0.00 0.00 0.00 0.00 60.65 62.82 1s7u s ILE 46 Cb -0.97 -4.13 -0.14 0.00 0.01 0.00 0.00 42.46 37.23 1s7u s ILE 46 CO 0.50 -0.05 1.62 1.55 0.00 0.00 0.00 174.94 178.57 1s7u h PRO 47 N 7.56 -0.72 -4.23 2.79 0.13 -1.91 -3.39 132.00 132.22 1s7u h PRO 47 Ca -0.25 0.05 -0.74 0.00 -0.87 0.00 0.00 66.00 64.19 1s7u h PRO 47 Cb 1.10 0.16 -0.25 0.00 0.13 0.00 0.00 31.00 32.15 1s7u h PRO 47 CO 0.87 -0.48 -0.31 0.21 -0.23 0.00 0.00 178.00 178.06 1s7u s LYS 48 N -6.02 2.88 -0.21 0.86 2.47 -1.26 -5.02 119.74 113.44 1s7u s LYS 48 Ca -0.17 -1.56 0.02 0.00 -1.56 0.00 0.00 55.97 52.70 1s7u s LYS 48 Cb 0.05 -4.13 0.04 0.00 -1.46 0.00 0.00 37.83 32.33 1s7u s LYS 48 CO 0.63 -1.16 -0.15 0.08 0.16 0.00 0.00 175.35 174.91 1s7u s VAL 49 N 1.57 2.02 0.22 4.02 1.01 -1.26 -4.70 120.40 123.27 1s7u s VAL 49 Ca 0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1s7u s VAL 49 Cb -0.27 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 1s7u s VAL 49 CO 0.04 0.29 1.25 -1.61 0.00 0.00 0.00 175.10 175.07 1s7u s GLU 50 N 1.25 4.45 -0.11 2.72 0.41 0.51 -4.88 118.70 123.04 1s7u s GLU 50 Ca -0.01 1.98 -0.01 0.00 -0.41 0.00 0.00 54.97 56.52 1s7u s GLU 50 Cb -0.16 -3.20 0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1s7u s GLU 50 CO -0.10 -0.14 -0.02 1.41 -0.49 0.00 0.00 175.26 175.93 1s7u s MET 51 N -0.47 0.92 0.87 1.61 1.75 -1.26 -0.73 119.30 121.99 1s7u s MET 51 Ca 0.53 -0.13 -0.11 0.00 -1.25 0.00 0.00 55.69 54.73 1s7u s MET 51 Cb -0.35 -1.41 0.11 0.00 2.84 0.00 0.00 34.83 36.03 1s7u s MET 51 CO 0.39 -0.36 1.09 -1.54 -0.65 0.00 0.00 175.02 173.96 1s7u s SER 52 N 1.86 3.63 0.45 1.11 1.04 -0.83 -5.01 113.70 115.95 1s7u s SER 52 Ca 0.04 1.68 -0.21 0.00 0.48 0.00 0.00 55.95 57.94 1s7u s SER 52 Cb -0.13 -2.34 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 1s7u s SER 52 CO -0.07 -2.57 0.98 -1.81 0.98 0.00 0.00 173.24 170.76 1s7u s ASP 53 N -3.29 6.74 -0.05 7.02 1.01 -1.26 -4.78 116.67 122.05 1s7u s ASP 53 Ca 0.63 1.77 -0.37 0.00 0.71 0.00 0.00 52.55 55.29 1s7u s ASP 53 Cb -0.19 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.04 1s7u s ASP 53 CO 0.57 -0.50 1.57 0.80 0.21 0.00 0.00 175.17 177.82 1s7u n MET 54 N -0.76 1.39 -4.28 8.23 0.00 -1.26 -4.90 117.12 115.54 1s7u n MET 54 Ca 0.08 0.51 -0.15 0.00 -0.00 0.00 0.00 57.70 58.13 1s7u n MET 54 Cb 0.54 -2.20 -0.10 0.00 0.00 0.00 0.00 33.22 31.45 1s7u n MET 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1s7u s SER 55 N 2.02 1.48 0.07 6.12 0.01 -1.21 -5.06 113.70 117.13 1s7u s SER 55 Ca 0.90 -1.19 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1s7u s SER 55 Cb -0.93 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 1s7u s SER 55 CO 0.53 -0.54 -0.06 0.72 0.41 0.00 0.00 173.24 174.30 1s7u s PHE 56 N -3.55 0.72 0.64 2.43 -0.12 -1.26 -1.77 117.98 115.07 1s7u s PHE 56 Ca 0.26 -0.76 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 1s7u s PHE 56 Cb 0.06 -0.44 0.06 0.00 -0.63 0.00 0.00 43.02 42.07 1s7u s PHE 56 CO 0.06 -0.16 0.91 -1.12 -0.05 0.00 0.00 175.22 174.86 1s7u s SER 57 N -2.40 4.95 0.57 1.98 0.01 0.26 -4.95 113.70 114.12 1s7u s SER 57 Ca 0.02 0.15 0.37 0.00 1.31 0.00 0.00 55.95 57.80 1s7u s SER 57 Cb -0.01 -0.88 1.83 0.00 0.21 0.00 0.00 66.02 67.18 1s7u s SER 57 CO -0.03 -1.43 2.12 0.07 0.41 0.00 0.00 173.24 174.38 1s7u h LYS 58 N -0.30 0.00 -0.54 12.44 2.10 -2.02 -0.22 116.57 128.03 1s7u h LYS 58 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1s7u h LYS 58 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1s7u h LYS 58 CO 0.54 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.59 1s7u n ASP 59 N -2.95 1.56 0.00 7.07 5.68 -1.26 -4.91 116.55 121.74 1s7u n ASP 59 Ca -0.01 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1s7u n ASP 59 Cb 0.16 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1s7u n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7u n TRP 60 N 0.09 0.00 -2.78 2.11 7.02 -0.09 -5.02 117.44 118.77 1s7u n TRP 60 Ca 0.06 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.21 1s7u n TRP 60 Cb 0.32 -0.08 -0.06 0.00 -2.42 0.00 0.00 31.31 29.07 1s7u n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7u s SER 61 N -3.06 6.92 0.33 -0.99 1.04 -1.26 -4.69 113.70 111.99 1s7u s SER 61 Ca 0.00 1.74 -0.01 0.00 0.48 0.00 0.00 55.95 58.16 1s7u s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1s7u s SER 61 CO 0.00 -0.37 0.54 -0.36 0.98 0.00 0.00 173.24 174.03 1s7u s PHE 62 N -2.08 3.50 0.01 5.02 0.08 -0.78 -0.58 117.98 123.15 1s7u s PHE 62 Ca 0.61 0.42 -0.20 0.00 0.12 0.00 0.00 56.93 57.88 1s7u s PHE 62 Cb -0.11 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1s7u s PHE 62 CO 0.15 0.14 0.45 1.52 -0.10 0.00 0.00 175.22 177.38 1s7u s TYR 63 N -2.25 -0.34 -0.08 0.36 1.13 -0.73 -1.41 117.35 114.04 1s7u s TYR 63 Ca 0.41 0.45 -0.11 0.00 -1.41 0.00 0.00 57.07 56.42 1s7u s TYR 63 Cb -0.10 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 1s7u s TYR 63 CO 0.35 -0.53 0.27 0.42 -2.51 0.00 0.00 175.55 173.55 1s7u s ILE 64 N -1.83 0.02 -0.27 -3.49 1.01 0.34 -3.36 121.20 113.62 1s7u s ILE 64 Ca -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1s7u s ILE 64 Cb -0.02 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1s7u s ILE 64 CO 0.02 -0.09 0.03 -0.22 0.00 0.00 0.00 174.94 174.69 1s7u s LEU 65 N -0.28 3.57 -0.02 2.97 2.96 -1.26 -1.25 118.68 125.36 1s7u s LEU 65 Ca -0.04 -0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 53.12 1s7u s LEU 65 Cb -0.03 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1s7u s LEU 65 CO 0.01 -0.15 0.27 0.00 -1.32 0.00 0.00 176.35 175.16 1s7u s ALA 66 N 1.47 3.83 0.16 5.97 0.00 -0.48 -1.96 121.76 130.74 1s7u s ALA 66 Ca 0.03 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 1s7u s ALA 66 Cb -0.17 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1s7u s ALA 66 CO 0.00 0.61 0.39 -3.38 0.00 0.00 0.00 175.76 173.38 1s7u s HIS 67 N -1.20 0.05 0.02 0.00 -0.00 0.09 0.10 115.29 114.34 1s7u s HIS 67 Ca 0.24 -0.40 -0.28 0.00 -0.00 0.00 0.00 55.06 54.62 1s7u s HIS 67 Cb -0.13 0.18 0.07 0.00 -0.00 0.00 0.00 32.58 32.69 1s7u s HIS 67 CO 0.13 -0.77 0.65 -0.08 -0.00 0.00 0.00 174.74 174.67 1s7u s THR 68 N -3.89 0.00 0.19 -5.38 -1.32 -0.74 -0.36 115.64 104.14 1s7u s THR 68 Ca 0.10 -0.01 -0.31 0.00 -1.21 0.00 0.00 61.69 60.26 1s7u s THR 68 Cb 0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 1s7u s THR 68 CO -0.05 -0.01 1.42 -1.61 -2.21 0.00 0.00 174.62 172.16 1s7u s GLU 69 N -2.00 4.30 -0.04 7.08 0.41 -1.26 -1.27 118.70 125.93 1s7u s GLU 69 Ca -0.07 2.19 -0.18 0.00 -0.41 0.00 0.00 54.97 56.50 1s7u s GLU 69 Cb -0.00 -3.17 0.03 0.00 -1.78 0.00 0.00 34.13 29.21 1s7u s GLU 69 CO 0.03 -0.41 0.39 -0.59 -0.49 0.00 0.00 175.26 174.18 1s7u s PHE 70 N 0.51 -0.29 -0.32 1.61 -0.71 -0.55 -4.87 117.98 113.36 1s7u s PHE 70 Ca 0.62 0.51 -0.02 0.00 -1.04 0.00 0.00 56.93 57.00 1s7u s PHE 70 Cb -0.40 0.16 0.06 0.00 -1.21 0.00 0.00 43.02 41.63 1s7u s PHE 70 CO 0.37 -0.41 0.03 0.99 -1.34 0.00 0.00 175.22 174.85 1s7u s THR 71 N -1.14 2.99 0.76 -4.49 2.01 -1.26 -0.17 115.64 114.34 1s7u s THR 71 Ca -0.12 -1.51 -0.11 0.00 0.31 0.00 0.00 61.69 60.26 1s7u s THR 71 Cb -0.04 -2.79 0.05 0.00 0.01 0.00 0.00 72.50 69.74 1s7u s THR 71 CO 0.05 -0.20 1.10 -2.16 -0.69 0.00 0.00 174.62 172.71 1s7u s PRO 72 N 1.22 2.26 0.26 4.92 0.04 -1.26 -4.82 135.00 137.62 1s7u s PRO 72 Ca -0.03 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1s7u s PRO 72 Cb -0.20 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1s7u s PRO 72 CO -0.02 -1.65 0.28 0.95 0.04 0.00 0.00 177.00 176.61 1s7u s THR 73 N -2.78 0.00 0.41 1.26 -4.23 -1.26 -1.92 115.64 107.12 1s7u s THR 73 Ca 0.63 -1.82 0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1s7u s THR 73 Cb -0.18 -2.47 0.19 0.00 1.34 0.00 0.00 72.50 71.38 1s7u s THR 73 CO 0.54 0.00 1.97 -0.33 -0.54 0.00 0.00 174.62 176.26 1s7u h GLU 74 N 2.37 0.20 0.03 3.99 5.08 -1.98 -3.34 114.58 120.93 1s7u h GLU 74 Ca -0.31 -0.04 -0.38 0.00 -1.00 0.00 0.00 59.36 57.64 1s7u h GLU 74 Cb 1.24 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1s7u h GLU 74 CO 0.44 0.30 -2.33 2.41 -1.00 0.00 0.00 179.01 178.82 1s7u n THR 75 N -4.33 1.54 -2.23 1.13 -1.04 -1.26 -4.94 114.28 103.14 1s7u n THR 75 Ca -0.01 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.05 60.95 1s7u n THR 75 Cb 0.22 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 1s7u n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7u s ASP 76 N -6.48 6.92 -0.10 8.00 1.01 -1.26 -5.03 116.67 119.74 1s7u s ASP 76 Ca -0.28 2.40 -0.01 0.00 0.71 0.00 0.00 52.55 55.37 1s7u s ASP 76 Cb 0.08 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1s7u s ASP 76 CO 0.68 -0.50 -0.03 0.42 0.21 0.00 0.00 175.17 175.94 1s7u s THR 77 N -0.02 4.00 0.11 -1.27 -4.23 -1.26 -4.74 115.64 108.23 1s7u s THR 77 Ca 0.55 -0.35 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 1s7u s THR 77 Cb -0.36 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1s7u s THR 77 CO 0.39 0.57 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.61 1s7u s TYR 78 N -0.53 2.68 0.25 3.99 1.51 -1.26 -0.99 117.35 123.00 1s7u s TYR 78 Ca 0.08 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 55.87 1s7u s TYR 78 Cb -0.12 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1s7u s TYR 78 CO 0.02 0.42 0.41 0.00 -1.11 0.00 0.00 175.55 175.29 1s7u s ALA 79 N -1.20 0.20 -0.04 3.71 0.00 -0.80 -1.27 121.76 122.37 1s7u s ALA 79 Ca 0.21 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1s7u s ALA 79 Cb -0.11 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1s7u s ALA 79 CO 0.13 -0.79 -0.07 0.00 0.00 0.00 0.00 175.76 175.03 1s7u s ARG 81 N 0.53 2.73 -0.09 0.00 3.52 0.25 -1.03 118.95 124.86 1s7u s ARG 81 Ca -0.08 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1s7u s ARG 81 Cb -0.12 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 1s7u s ARG 81 CO 0.01 0.00 -0.20 0.08 -0.81 0.00 0.00 175.30 174.37 1s7u s VAL 82 N 0.79 1.79 -0.12 7.11 1.01 -0.02 -1.22 120.40 129.74 1s7u s VAL 82 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1s7u s VAL 82 Cb -0.16 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1s7u s VAL 82 CO -0.00 0.50 -0.13 -0.75 0.00 0.00 0.00 175.10 174.72 1s7u s LYS 83 N 0.47 3.33 -0.02 2.72 2.20 -0.13 -1.45 119.74 126.85 1s7u s LYS 83 Ca -0.17 -0.68 -0.22 0.00 -0.36 0.00 0.00 55.97 54.54 1s7u s LYS 83 Cb -0.17 -2.62 0.04 0.00 -1.51 0.00 0.00 37.83 33.58 1s7u s LYS 83 CO 0.07 0.25 0.48 -1.58 -0.36 0.00 0.00 175.35 174.20 1s7u s HIS 84 N 0.26 -0.39 0.25 4.03 2.46 -1.26 -1.63 115.29 119.01 1s7u s HIS 84 Ca -0.09 0.62 0.36 0.00 0.47 0.00 0.00 55.06 56.43 1s7u s HIS 84 Cb -0.15 0.25 1.75 0.00 -0.13 0.00 0.00 32.58 34.29 1s7u s HIS 84 CO 0.05 -0.51 2.09 -0.44 -2.47 0.00 0.00 174.74 173.47 1s7u h ASP 85 N 3.39 0.00 0.43 9.88 3.32 -1.93 -2.42 116.42 129.09 1s7u h ASP 85 Ca -0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1s7u h ASP 85 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1s7u h ASP 85 CO 0.40 0.00 -0.12 0.77 -1.72 0.00 0.00 179.24 178.57 1s7u h SER 86 N 0.00 0.00 -3.65 6.45 4.64 -1.88 -3.43 113.55 115.68 1s7u h SER 86 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1s7u h SER 86 Cb 0.26 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.08 1s7u h SER 86 CO 0.00 0.12 -0.80 -0.04 -0.87 0.00 0.00 176.83 175.24 1s7u s MET 87 N -4.12 2.95 0.31 4.77 -1.94 -0.91 -4.94 119.30 115.42 1s7u s MET 87 Ca -0.02 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1s7u s MET 87 Cb 0.13 -2.44 0.49 0.00 2.01 0.00 0.00 34.83 35.02 1s7u s MET 87 CO 0.58 0.35 1.88 0.00 -0.01 0.00 0.00 175.02 177.82 1s7u h ALA 88 N 6.22 1.32 -2.43 3.03 0.00 -1.84 -3.43 119.26 122.14 1s7u h ALA 88 Ca -0.31 -0.17 -0.48 0.00 0.00 0.00 0.00 54.91 53.95 1s7u h ALA 88 Cb 1.19 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 1s7u h ALA 88 CO 0.52 0.49 -0.75 -1.21 0.00 0.00 0.00 179.25 178.30 1s7u s GLU 89 N -5.27 1.33 0.53 0.00 0.41 -1.26 -5.10 118.70 109.34 1s7u s GLU 89 Ca -0.09 -1.54 -0.22 0.00 -0.41 0.00 0.00 54.97 52.71 1s7u s GLU 89 Cb 0.16 -1.21 -0.05 0.00 -1.78 0.00 0.00 34.13 31.25 1s7u s GLU 89 CO 0.79 0.22 1.32 -2.14 -0.49 0.00 0.00 175.26 174.95 1s7u s PRO 90 N -3.37 3.28 -0.14 0.39 0.02 -1.26 -4.88 135.00 129.05 1s7u s PRO 90 Ca 0.21 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 1s7u s PRO 90 Cb -0.03 -2.30 -0.02 0.00 0.02 0.00 0.00 34.50 32.18 1s7u s PRO 90 CO 0.07 -1.05 -0.08 0.21 -0.33 0.00 0.00 177.00 175.82 1s7u s LYS 91 N -2.85 3.48 -0.13 5.54 2.47 -0.53 -4.93 119.74 122.79 1s7u s LYS 91 Ca 0.70 -0.60 -0.01 0.00 -1.56 0.00 0.00 55.97 54.50 1s7u s LYS 91 Cb -0.38 -2.76 -0.02 0.00 -1.46 0.00 0.00 37.83 33.21 1s7u s LYS 91 CO 0.45 0.26 -0.11 0.99 0.16 0.00 0.00 175.35 177.10 1s7u s THR 92 N 0.27 3.22 -0.05 3.43 2.01 -1.26 -0.84 115.64 122.42 1s7u s THR 92 Ca -0.06 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1s7u s THR 92 Cb -0.15 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1s7u s THR 92 CO 0.04 0.52 -0.21 0.54 -0.69 0.00 0.00 174.62 174.82 1s7u s VAL 93 N 0.28 1.73 -0.04 3.82 0.11 -0.20 -4.97 120.40 121.13 1s7u s VAL 93 Ca -0.08 -0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 57.93 1s7u s VAL 93 Cb -0.15 -1.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 1s7u s VAL 93 CO 0.05 0.49 0.39 -0.31 -3.33 0.00 0.00 175.10 172.38 1s7u s TYR 94 N -0.08 3.67 0.20 1.54 2.02 -1.26 -1.02 117.35 122.42 1s7u s TYR 94 Ca -0.03 0.91 -0.32 0.00 -0.37 0.00 0.00 57.07 57.26 1s7u s TYR 94 Cb -0.12 -2.30 -0.11 0.00 -0.40 0.00 0.00 41.96 39.02 1s7u s TYR 94 CO 0.03 0.56 1.63 -0.46 -1.57 0.00 0.00 175.55 175.73 1s7u s TRP 95 N -0.72 2.97 -0.21 2.71 -0.00 -0.39 -4.89 118.94 118.40 1s7u s TRP 95 Ca 0.23 0.54 0.02 0.00 -0.00 0.00 0.00 56.10 56.89 1s7u s TRP 95 Cb -0.16 -4.02 0.04 0.00 -0.00 0.00 0.00 33.47 29.33 1s7u s TRP 95 CO 0.11 -3.77 -0.15 0.34 -0.00 0.00 0.00 176.95 173.48 1s7u s ASP 96 N 1.06 3.59 0.57 5.86 -1.08 -1.26 -4.77 116.67 120.63 1s7u s ASP 96 Ca 0.71 -0.93 0.38 0.00 -0.52 0.00 0.00 52.55 52.19 1s7u s ASP 96 Cb -0.47 -1.44 1.95 0.00 -1.46 0.00 0.00 42.92 41.50 1s7u s ASP 96 CO 0.34 -0.09 2.15 0.08 0.52 0.00 0.00 175.17 178.16 1s7u h ARG 97 N 7.90 0.00 -0.30 4.34 0.11 -1.95 -1.76 114.38 122.72 1s7u h ARG 97 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1s7u h ARG 97 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1s7u h ARG 97 CO 0.55 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.37 1s7u n ASP 98 N -2.89 2.17 0.00 0.08 8.00 -1.26 -4.81 116.55 117.83 1s7u n ASP 98 Ca -0.02 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1s7u n ASP 98 Cb 0.11 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1s7u n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04