#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7q s GLN 2 N 0.00 1.63 -0.01 9.51 -0.21 -1.26 -4.54 119.66 124.78 1x7q s GLN 2 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.21 1x7q s GLN 2 Cb 0.00 -1.90 0.01 0.00 1.00 0.00 0.00 33.01 32.12 1x7q s GLN 2 CO 0.00 0.48 0.01 1.03 -2.12 0.00 0.00 175.29 174.69 1x7q s ARG 3 N -1.50 0.03 0.19 2.91 0.52 0.01 -4.91 118.95 116.20 1x7q s ARG 3 Ca 0.12 0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 55.15 1x7q s ARG 3 Cb -0.10 -0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.14 1x7q s ARG 3 CO 0.03 -0.07 0.79 0.99 0.02 0.00 0.00 175.30 177.07 1x7q s THR 4 N 0.48 4.36 0.36 0.02 2.01 -1.26 -1.63 115.64 119.98 1x7q s THR 4 Ca -0.04 1.68 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 1x7q s THR 4 Cb -0.06 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 1x7q s THR 4 CO -0.01 0.44 1.33 -2.16 -0.69 0.00 0.00 174.62 173.52 1x7q s PRO 5 N -1.36 4.18 0.22 4.92 0.04 -1.26 -4.35 135.00 137.39 1x7q s PRO 5 Ca 0.38 2.23 -0.16 0.00 0.04 0.00 0.00 61.00 63.50 1x7q s PRO 5 Cb -0.22 -2.94 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 1x7q s PRO 5 CO 0.26 -0.34 0.66 0.15 0.04 0.00 0.00 177.00 177.76 1x7q s LYS 6 N -2.00 4.07 -0.04 4.56 1.02 0.21 -4.93 119.74 122.63 1x7q s LYS 6 Ca 0.52 0.65 0.01 0.00 0.02 0.00 0.00 55.97 57.18 1x7q s LYS 6 Cb -0.40 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1x7q s LYS 6 CO 0.53 0.36 -0.03 0.42 -0.92 0.00 0.00 175.35 175.71 1x7q s ILE 7 N -1.63 0.44 -0.03 2.17 1.01 -1.26 -1.54 121.20 120.36 1x7q s ILE 7 Ca 0.44 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1x7q s ILE 7 Cb -0.14 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1x7q s ILE 7 CO 0.20 0.21 -0.19 -1.10 0.00 0.00 0.00 174.94 174.06 1x7q s GLN 8 N 1.02 1.73 -0.13 2.79 -0.21 -0.56 -5.00 119.66 119.30 1x7q s GLN 8 Ca -0.10 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.63 1x7q s GLN 8 Cb -0.14 -1.58 0.02 0.00 1.00 0.00 0.00 33.01 32.31 1x7q s GLN 8 CO -0.01 0.34 -0.17 0.08 -2.12 0.00 0.00 175.29 173.41 1x7q s VAL 9 N -0.22 1.70 0.13 1.09 1.01 -1.26 -0.84 120.40 122.01 1x7q s VAL 9 Ca 0.02 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 1x7q s VAL 9 Cb -0.10 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.81 1x7q s VAL 9 CO 0.01 0.48 0.91 -0.72 0.00 0.00 0.00 175.10 175.78 1x7q s TYR 10 N 1.07 -0.20 0.14 5.22 1.13 -0.64 -4.56 117.35 119.52 1x7q s TYR 10 Ca -0.03 -0.08 0.03 0.00 -1.41 0.00 0.00 57.07 55.57 1x7q s TYR 10 Cb -0.14 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1x7q s TYR 10 CO -0.04 -0.80 0.25 -1.54 -2.51 0.00 0.00 175.55 170.91 1x7q s SER 11 N -2.84 6.18 0.17 -0.18 1.04 -1.26 -0.54 113.70 116.28 1x7q s SER 11 Ca 0.10 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1x7q s SER 11 Cb -0.02 -1.82 0.07 0.00 0.10 0.00 0.00 66.02 64.35 1x7q s SER 11 CO -0.00 0.06 1.68 -0.09 0.98 0.00 0.00 173.24 175.87 1x7q h ARG 12 N 2.27 0.95 -6.02 4.02 2.43 -1.46 -3.45 114.38 113.12 1x7q h ARG 12 Ca -0.48 -0.23 -0.59 0.00 -0.81 0.00 0.00 59.98 57.87 1x7q h ARG 12 Cb 1.19 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.48 1x7q h ARG 12 CO 0.68 0.88 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.28 1x7q s HIS 13 N -5.29 2.23 0.13 2.20 3.76 -1.26 -5.03 115.29 112.03 1x7q s HIS 13 Ca -0.12 -0.43 -0.35 0.00 -0.15 0.00 0.00 55.06 54.01 1x7q s HIS 13 Cb 0.13 -1.08 -0.15 0.00 1.11 0.00 0.00 32.58 32.59 1x7q s HIS 13 CO 0.82 0.61 1.42 -2.30 -0.85 0.00 0.00 174.74 174.44 1x7q n PRO 14 N -0.64 1.59 -2.78 8.40 -0.02 -1.26 -4.88 135.00 135.41 1x7q n PRO 14 Ca -0.05 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1x7q n PRO 14 Cb 0.61 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1x7q n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x7q s ALA 15 N 0.55 3.23 -0.03 3.55 0.00 -1.26 -5.04 121.76 122.76 1x7q s ALA 15 Ca 0.80 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 1x7q s ALA 15 Cb -0.82 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.06 1x7q s ALA 15 CO 0.44 -0.26 0.03 -1.21 0.00 0.00 0.00 175.76 174.76 1x7q s GLU 16 N 1.11 0.08 0.22 0.00 2.02 -1.26 -5.13 118.70 115.74 1x7q s GLU 16 Ca 0.48 0.20 -0.32 0.00 0.02 0.00 0.00 54.97 55.35 1x7q s GLU 16 Cb -0.20 -0.41 -0.14 0.00 0.10 0.00 0.00 34.13 33.48 1x7q s GLU 16 CO 0.25 -0.20 1.36 0.09 0.02 0.00 0.00 175.26 176.77 1x7q n ASN 17 N 4.47 2.45 0.00 -0.19 3.02 -1.26 -1.99 115.26 121.75 1x7q n ASN 17 Ca -0.21 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1x7q n ASN 17 Cb 0.50 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1x7q n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x7q n GLY 18 N 2.16 0.91 3.35 7.41 0.00 -0.03 -5.00 105.19 113.98 1x7q n GLY 18 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1x7q n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x7q s LYS 19 N -0.01 3.43 0.61 1.61 1.02 -0.84 -4.99 119.74 120.56 1x7q s LYS 19 Ca 0.00 -0.61 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 1x7q s LYS 19 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1x7q s LYS 19 CO 0.00 -0.11 1.14 0.45 -0.92 0.00 0.00 175.35 175.92 1x7q n SER 20 N 4.54 1.53 -1.65 2.83 2.88 -1.26 -4.24 113.62 118.24 1x7q n SER 20 Ca -0.18 0.84 -0.02 0.00 -1.33 0.00 0.00 58.87 58.18 1x7q n SER 20 Cb 0.51 -1.48 0.01 0.00 -0.75 0.00 0.00 64.21 62.50 1x7q n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x7q n ASN 21 N -1.20 -0.69 -4.09 -3.46 2.85 0.33 -4.99 115.26 104.01 1x7q n ASN 21 Ca 0.14 -1.44 -0.24 0.00 -0.11 0.00 0.00 54.58 52.93 1x7q n ASN 21 Cb 0.47 1.13 -0.16 0.00 1.24 0.00 0.00 39.78 42.47 1x7q n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1x7q s PHE 22 N -5.99 1.40 -0.21 1.20 0.08 -1.26 -1.27 117.98 111.93 1x7q s PHE 22 Ca 0.06 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 56.61 1x7q s PHE 22 Cb -0.01 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 1x7q s PHE 22 CO 0.03 -0.12 0.30 -1.17 -0.10 0.00 0.00 175.22 174.17 1x7q s LEU 23 N 0.01 4.15 -0.05 -0.37 2.96 0.16 -1.03 118.68 124.50 1x7q s LEU 23 Ca -0.02 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1x7q s LEU 23 Cb -0.09 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1x7q s LEU 23 CO 0.01 -0.01 -0.14 0.20 -1.32 0.00 0.00 176.35 175.09 1x7q s ASN 24 N 1.00 4.03 -0.22 3.68 0.01 0.30 -1.56 114.94 122.19 1x7q s ASN 24 Ca 0.15 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 1x7q s ASN 24 Cb -0.14 -0.90 0.05 0.00 0.41 0.00 0.00 41.25 40.67 1x7q s ASN 24 CO 0.06 0.33 -0.06 0.00 -1.51 0.00 0.00 177.10 175.92 1x7q s TYR 26 N 1.42 3.19 -0.14 0.00 5.04 -0.02 -1.17 117.35 125.68 1x7q s TYR 26 Ca -0.04 -0.42 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 1x7q s TYR 26 Cb -0.18 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 1x7q s TYR 26 CO -0.07 -0.41 -0.12 0.08 -1.34 0.00 0.00 175.55 173.69 1x7q s VAL 27 N 1.65 3.13 0.20 3.14 1.01 -0.32 -1.50 120.40 127.71 1x7q s VAL 27 Ca 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1x7q s VAL 27 Cb -0.17 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1x7q s VAL 27 CO 0.08 0.52 0.30 -0.94 0.00 0.00 0.00 175.10 175.05 1x7q s SER 28 N 0.41 0.04 -0.33 3.32 1.04 -0.59 -0.87 113.70 116.72 1x7q s SER 28 Ca -0.09 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1x7q s SER 28 Cb -0.16 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1x7q s SER 28 CO 0.05 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1x7q n GLY 29 N -0.27 0.61 3.81 7.32 0.00 -0.47 -0.62 105.19 115.57 1x7q n GLY 29 Ca -0.03 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1x7q n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x7q s PHE 30 N -1.98 3.14 -0.26 1.61 -0.71 -1.19 -4.35 117.98 114.23 1x7q s PHE 30 Ca 0.00 -0.06 -0.17 0.00 -1.04 0.00 0.00 56.93 55.66 1x7q s PHE 30 Cb 0.00 -1.46 0.07 0.00 -1.21 0.00 0.00 43.02 40.42 1x7q s PHE 30 CO 0.00 0.52 0.66 -1.58 -1.34 0.00 0.00 175.22 173.48 1x7q s HIS 31 N -1.93 -0.95 0.90 3.49 2.46 -0.65 -1.18 115.29 117.44 1x7q s HIS 31 Ca 0.32 1.98 -0.15 0.00 0.47 0.00 0.00 55.06 57.68 1x7q s HIS 31 Cb -0.09 0.51 0.22 0.00 -0.13 0.00 0.00 32.58 33.09 1x7q s HIS 31 CO 0.24 -0.47 0.98 -0.35 -2.47 0.00 0.00 174.74 172.67 1x7q n PRO 32 N 3.91 -1.95 0.18 2.88 -0.04 -1.26 -0.81 135.00 137.91 1x7q n PRO 32 Ca -0.19 -1.54 0.07 0.00 -0.04 0.00 0.00 63.50 61.80 1x7q n PRO 32 Cb 0.58 -1.23 0.18 0.00 -0.04 0.00 0.00 33.50 32.99 1x7q n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x7q h SER 33 N -1.94 0.00 -2.47 3.54 4.64 -1.99 -3.45 113.55 111.88 1x7q h SER 33 Ca -0.34 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.44 1x7q h SER 33 Cb 0.99 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.13 1x7q h SER 33 CO 0.23 0.31 1.06 -0.67 -0.87 0.00 0.00 176.83 176.89 1x7q n ASP 34 N -3.23 3.90 -3.54 4.97 2.03 -1.26 -4.95 116.55 114.47 1x7q n ASP 34 Ca 0.02 1.01 -0.18 0.00 0.52 0.00 0.00 54.79 56.16 1x7q n ASP 34 Cb 0.60 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.41 1x7q n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x7q s ILE 35 N 2.34 0.00 -0.18 5.18 2.07 -1.26 -4.63 121.20 124.72 1x7q s ILE 35 Ca 0.81 -0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 60.01 1x7q s ILE 35 Cb -0.52 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.10 1x7q s ILE 35 CO 0.37 -0.02 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.54 1x7q s GLU 36 N -1.15 3.16 -0.07 3.50 2.12 -0.41 -5.01 118.70 120.84 1x7q s GLU 36 Ca -0.11 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1x7q s GLU 36 Cb -0.01 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.72 1x7q s GLU 36 CO 0.09 -0.11 -0.05 0.08 -0.54 0.00 0.00 175.26 174.73 1x7q s VAL 37 N 1.14 0.71 0.04 3.70 1.01 -1.26 -0.79 120.40 124.95 1x7q s VAL 37 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1x7q s VAL 37 Cb -0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1x7q s VAL 37 CO -0.06 0.29 -0.24 -1.81 0.00 0.00 0.00 175.10 173.29 1x7q s ASP 38 N 1.35 2.82 -0.11 3.32 1.01 -0.29 -4.99 116.67 119.78 1x7q s ASP 38 Ca -0.03 -0.54 -0.12 0.00 0.71 0.00 0.00 52.55 52.57 1x7q s ASP 38 Cb -0.14 -0.25 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 1x7q s ASP 38 CO -0.03 0.22 0.26 -0.76 0.21 0.00 0.00 175.17 175.07 1x7q s LEU 39 N -1.13 4.34 -0.06 1.23 1.43 -1.26 -0.39 118.68 122.84 1x7q s LEU 39 Ca 0.10 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1x7q s LEU 39 Cb -0.09 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1x7q s LEU 39 CO 0.02 0.26 -0.19 -0.76 0.23 0.00 0.00 176.35 175.91 1x7q s LEU 40 N -0.39 2.45 -0.27 1.79 1.43 0.35 -0.88 118.68 123.16 1x7q s LEU 40 Ca 0.17 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1x7q s LEU 40 Cb -0.13 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1x7q s LEU 40 CO 0.06 0.28 0.00 -0.75 0.23 0.00 0.00 176.35 176.17 1x7q s LYS 41 N -0.34 2.97 -1.65 1.70 2.20 -0.03 -1.82 119.74 122.78 1x7q s LYS 41 Ca 0.02 -0.91 -0.15 0.00 -0.36 0.00 0.00 55.97 54.57 1x7q s LYS 41 Cb -0.12 -3.15 0.13 0.00 -1.51 0.00 0.00 37.83 33.17 1x7q s LYS 41 CO 0.02 -0.41 0.74 0.09 -0.36 0.00 0.00 175.35 175.44 1x7q n ASN 42 N 4.76 -2.95 0.00 1.43 3.02 0.47 -1.76 115.26 120.23 1x7q n ASN 42 Ca -0.16 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1x7q n ASN 42 Cb 0.48 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 1x7q n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x7q n GLY 43 N -1.53 1.43 3.60 7.41 0.00 -1.26 -5.03 105.19 109.81 1x7q n GLY 43 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1x7q n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x7q s GLU 44 N -0.19 3.08 0.22 1.61 0.41 -0.72 -5.00 118.70 118.11 1x7q s GLU 44 Ca 0.00 -0.49 -0.31 0.00 -0.41 0.00 0.00 54.97 53.76 1x7q s GLU 44 Cb 0.00 -2.75 -0.11 0.00 -1.78 0.00 0.00 34.13 29.49 1x7q s GLU 44 CO 0.00 0.57 1.60 0.50 -0.49 0.00 0.00 175.26 177.44 1x7q s ARG 45 N -0.53 4.18 -0.00 1.61 3.52 -1.26 -0.85 118.95 125.61 1x7q s ARG 45 Ca 0.08 2.47 -0.27 0.00 -0.13 0.00 0.00 55.73 57.89 1x7q s ARG 45 Cb -0.12 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1x7q s ARG 45 CO 0.02 -0.62 0.86 0.42 -0.81 0.00 0.00 175.30 175.16 1x7q s ILE 46 N 0.68 4.86 0.02 4.11 1.01 -0.06 -4.87 121.20 126.94 1x7q s ILE 46 Ca 0.68 1.80 -0.18 0.00 0.00 0.00 0.00 60.65 62.95 1x7q s ILE 46 Cb -0.46 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 37.56 1x7q s ILE 46 CO 0.38 0.24 1.10 -0.33 0.00 0.00 0.00 174.94 176.33 1x7q h GLU 47 N 6.46 0.51 -4.50 2.79 4.39 -1.93 -3.40 114.58 118.89 1x7q h GLU 47 Ca -0.42 -0.59 -0.73 0.00 0.34 0.00 0.00 59.36 57.97 1x7q h GLU 47 Cb 1.21 0.18 -0.21 0.00 -0.10 0.00 0.00 28.75 29.82 1x7q h GLU 47 CO 0.74 1.22 0.32 0.15 -1.16 0.00 0.00 179.01 180.27 1x7q s LYS 48 N -3.13 3.39 -0.04 2.33 3.01 -1.26 -4.95 119.74 119.09 1x7q s LYS 48 Ca -0.12 -1.83 0.03 0.00 -1.01 0.00 0.00 55.97 53.04 1x7q s LYS 48 Cb 0.04 -4.51 0.01 0.00 -1.01 0.00 0.00 37.83 32.36 1x7q s LYS 48 CO 0.86 -1.53 -0.11 0.08 0.51 0.00 0.00 175.35 175.17 1x7q s VAL 49 N 1.86 0.97 0.34 3.17 1.01 -1.26 -4.68 120.40 121.80 1x7q s VAL 49 Ca 0.20 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1x7q s VAL 49 Cb -0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1x7q s VAL 49 CO -0.03 0.30 0.11 -1.61 0.00 0.00 0.00 175.10 173.87 1x7q s GLU 50 N 0.36 2.28 0.06 2.72 2.02 -0.63 -4.94 118.70 120.57 1x7q s GLU 50 Ca -0.07 -1.62 -0.05 0.00 0.02 0.00 0.00 54.97 53.25 1x7q s GLU 50 Cb -0.12 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1x7q s GLU 50 CO 0.02 0.11 0.09 -3.38 0.02 0.00 0.00 175.26 172.12 1x7q s HIS 51 N -2.46 0.29 0.89 1.61 -3.43 -1.26 -0.86 115.29 110.07 1x7q s HIS 51 Ca 0.37 -0.72 -0.11 0.00 -0.80 0.00 0.00 55.06 53.80 1x7q s HIS 51 Cb -0.02 -0.19 0.13 0.00 -1.43 0.00 0.00 32.58 31.07 1x7q s HIS 51 CO 0.22 -0.44 1.11 -1.54 -2.00 0.00 0.00 174.74 172.08 1x7q s SER 52 N -2.68 3.35 0.17 7.38 1.04 -0.02 -4.99 113.70 117.95 1x7q s SER 52 Ca 0.03 1.86 -0.30 0.00 0.48 0.00 0.00 55.95 58.02 1x7q s SER 52 Cb 0.04 -2.45 -0.08 0.00 0.10 0.00 0.00 66.02 63.64 1x7q s SER 52 CO -0.09 -2.77 1.20 -1.81 0.98 0.00 0.00 173.24 170.75 1x7q s ASP 53 N -3.05 7.08 0.05 7.02 1.01 -1.26 -4.75 116.67 122.77 1x7q s ASP 53 Ca 0.64 2.22 -0.36 0.00 0.71 0.00 0.00 52.55 55.77 1x7q s ASP 53 Cb -0.20 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 40.97 1x7q s ASP 53 CO 0.58 -0.39 1.53 -0.11 0.21 0.00 0.00 175.17 176.99 1x7q n LEU 54 N 2.67 2.44 -4.23 1.23 7.94 -1.26 -4.95 117.00 120.84 1x7q n LEU 54 Ca 0.05 1.09 -0.18 0.00 -1.11 0.00 0.00 56.01 55.86 1x7q n LEU 54 Cb 0.45 -1.29 -0.07 0.00 0.53 0.00 0.00 43.42 43.04 1x7q n LEU 54 CO 0.56 -0.60 -0.04 -0.55 -1.11 0.00 0.00 177.39 175.65 1x7q s SER 55 N 1.35 1.44 0.14 1.96 0.15 -1.23 -5.06 113.70 112.46 1x7q s SER 55 Ca 0.85 -1.68 -0.12 0.00 0.70 0.00 0.00 55.95 55.70 1x7q s SER 55 Cb -0.84 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1x7q s SER 55 CO 0.46 -1.13 0.33 0.72 1.20 0.00 0.00 173.24 174.82 1x7q s PHE 56 N -3.33 0.10 0.67 3.44 -0.12 -1.26 -1.85 117.98 115.63 1x7q s PHE 56 Ca 0.38 -0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 56.78 1x7q s PHE 56 Cb 0.02 0.10 0.09 0.00 -0.63 0.00 0.00 43.02 42.60 1x7q s PHE 56 CO 0.25 -0.71 0.93 -1.12 -0.05 0.00 0.00 175.22 174.52 1x7q s SER 57 N -2.89 4.68 0.31 1.98 0.01 0.16 -4.95 113.70 113.00 1x7q s SER 57 Ca 0.09 -0.17 0.07 0.00 1.31 0.00 0.00 55.95 57.26 1x7q s SER 57 Cb 0.03 -0.40 0.78 0.00 0.21 0.00 0.00 66.02 66.63 1x7q s SER 57 CO -0.06 -1.61 1.77 0.07 0.41 0.00 0.00 173.24 173.82 1x7q h LYS 58 N -0.35 0.70 -0.19 12.44 -0.00 -2.03 -0.76 116.57 126.38 1x7q h LYS 58 Ca -0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 1x7q h LYS 58 Cb 1.28 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 1x7q h LYS 58 CO 0.46 0.46 0.00 -0.40 -0.00 0.00 0.00 179.45 179.97 1x7q n ASP 59 N -4.77 1.08 0.00 7.07 5.68 -1.26 -4.89 116.55 119.46 1x7q n ASP 59 Ca 0.24 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1x7q n ASP 59 Cb 0.61 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1x7q n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1x7q n TRP 60 N 0.06 0.00 -2.56 2.11 7.02 -0.29 -5.03 117.44 118.75 1x7q n TRP 60 Ca 0.08 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.20 1x7q n TRP 60 Cb 0.18 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.03 1x7q n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1x7q s SER 61 N -3.15 6.79 0.39 -0.99 1.04 -1.26 -4.69 113.70 111.83 1x7q s SER 61 Ca 0.00 2.02 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 1x7q s SER 61 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1x7q s SER 61 CO 0.00 -0.47 0.70 -0.36 0.98 0.00 0.00 173.24 174.09 1x7q s PHE 62 N -1.67 3.51 -0.02 5.02 0.08 -0.33 -0.66 117.98 123.90 1x7q s PHE 62 Ca 0.58 0.79 -0.06 0.00 0.12 0.00 0.00 56.93 58.36 1x7q s PHE 62 Cb -0.21 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 1x7q s PHE 62 CO 0.27 -0.07 0.13 1.52 -0.10 0.00 0.00 175.22 176.98 1x7q s TYR 63 N -2.41 -0.04 0.00 0.36 -0.85 -0.77 -1.37 117.35 112.27 1x7q s TYR 63 Ca 0.47 0.08 -0.04 0.00 -0.52 0.00 0.00 57.07 57.06 1x7q s TYR 63 Cb -0.10 -0.01 -0.00 0.00 0.38 0.00 0.00 41.96 42.22 1x7q s TYR 63 CO 0.36 -0.19 0.08 -0.51 -1.52 0.00 0.00 175.55 173.77 1x7q s LEU 64 N -0.73 1.77 -0.20 -3.49 1.43 -0.05 -3.54 118.68 113.86 1x7q s LEU 64 Ca -0.08 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1x7q s LEU 64 Cb -0.05 0.45 -0.01 0.00 0.03 0.00 0.00 46.19 46.61 1x7q s LEU 64 CO 0.01 -0.29 -0.07 -0.22 0.23 0.00 0.00 176.35 176.00 1x7q s LEU 65 N -1.16 2.80 -0.11 1.79 2.96 -1.26 -1.18 118.68 122.52 1x7q s LEU 65 Ca -0.13 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1x7q s LEU 65 Cb -0.07 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1x7q s LEU 65 CO 0.01 0.03 0.07 -0.31 -1.32 0.00 0.00 176.35 174.82 1x7q s TYR 66 N 1.19 3.35 0.01 5.38 1.51 -0.32 -0.84 117.35 127.65 1x7q s TYR 66 Ca 0.02 0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 56.20 1x7q s TYR 66 Cb -0.14 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1x7q s TYR 66 CO -0.02 0.56 0.46 1.52 -1.11 0.00 0.00 175.55 176.95 1x7q s TYR 67 N -0.84 -0.35 -0.02 2.71 1.13 -0.04 -0.59 117.35 119.36 1x7q s TYR 67 Ca 0.13 0.46 -0.15 0.00 -1.41 0.00 0.00 57.07 56.10 1x7q s TYR 67 Cb -0.12 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 1x7q s TYR 67 CO 0.03 -0.55 0.32 -0.08 -2.51 0.00 0.00 175.55 172.76 1x7q s THR 68 N -1.91 0.05 0.27 -3.49 -1.32 -0.60 -1.60 115.64 107.04 1x7q s THR 68 Ca -0.09 -0.45 -0.29 0.00 -1.21 0.00 0.00 61.69 59.65 1x7q s THR 68 Cb -0.02 -0.62 -0.09 0.00 -1.51 0.00 0.00 72.50 70.26 1x7q s THR 68 CO 0.02 -0.25 1.16 -0.70 -2.21 0.00 0.00 174.62 172.64 1x7q s GLU 69 N -1.30 4.55 0.15 7.08 2.12 -1.26 -0.66 118.70 129.38 1x7q s GLU 69 Ca -0.13 1.91 -0.17 0.00 0.36 0.00 0.00 54.97 56.93 1x7q s GLU 69 Cb -0.05 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.20 1x7q s GLU 69 CO 0.04 0.07 0.47 -0.59 -0.54 0.00 0.00 175.26 174.71 1x7q s PHE 70 N -0.94 -0.21 -0.30 5.30 -0.71 -0.39 -4.86 117.98 115.86 1x7q s PHE 70 Ca 0.47 -0.10 0.02 0.00 -1.04 0.00 0.00 56.93 56.29 1x7q s PHE 70 Cb -0.34 0.34 0.08 0.00 -1.21 0.00 0.00 43.02 41.89 1x7q s PHE 70 CO 0.43 -0.79 -0.02 0.99 -1.34 0.00 0.00 175.22 174.48 1x7q s THR 71 N -3.82 2.39 0.57 -4.49 2.01 -1.26 -0.52 115.64 110.52 1x7q s THR 71 Ca 0.05 -1.88 -0.21 0.00 0.31 0.00 0.00 61.69 59.96 1x7q s THR 71 Cb 0.01 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1x7q s THR 71 CO -0.09 -0.28 1.34 -2.65 -0.69 0.00 0.00 174.62 172.25 1x7q n PRO 72 N 4.41 1.57 -4.31 4.92 -0.02 -1.26 -4.78 135.00 135.52 1x7q n PRO 72 Ca -0.07 0.58 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1x7q n PRO 72 Cb 0.42 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 1x7q n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1x7q s THR 73 N -1.31 0.49 0.32 3.45 -4.23 -1.26 -0.85 115.64 112.25 1x7q s THR 73 Ca 0.74 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.34 1x7q s THR 73 Cb -0.41 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 70.86 1x7q s THR 73 CO 0.47 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.20 1x7q h GLU 74 N 2.38 0.14 0.07 3.99 4.57 -1.98 -3.31 114.58 120.43 1x7q h GLU 74 Ca -0.38 -0.06 -0.29 0.00 -1.18 0.00 0.00 59.36 57.45 1x7q h GLU 74 Cb 1.25 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1x7q h GLU 74 CO 0.59 0.54 -1.52 1.57 -1.18 0.00 0.00 179.01 179.01 1x7q h LYS 75 N 0.12 0.15 -6.57 1.92 -0.00 -2.01 -3.47 116.57 106.71 1x7q h LYS 75 Ca 0.01 -0.25 -0.52 0.00 -0.00 0.00 0.00 60.65 59.89 1x7q h LYS 75 Cb 0.80 0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 33.10 1x7q h LYS 75 CO 0.06 0.94 0.38 -0.51 -0.00 0.00 0.00 179.45 180.32 1x7q s ASP 76 N -6.71 7.46 -0.08 7.07 1.01 -1.25 -5.04 116.67 119.13 1x7q s ASP 76 Ca -0.07 1.82 -0.01 0.00 0.71 0.00 0.00 52.55 55.00 1x7q s ASP 76 Cb 0.08 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1x7q s ASP 76 CO 0.83 -0.10 -0.02 -1.61 0.21 0.00 0.00 175.17 174.48 1x7q s GLU 77 N 0.03 2.92 0.20 8.23 0.41 -1.26 -4.77 118.70 124.47 1x7q s GLU 77 Ca 0.48 -0.46 0.09 0.00 -0.41 0.00 0.00 54.97 54.67 1x7q s GLU 77 Cb -0.24 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.34 1x7q s GLU 77 CO 0.30 0.68 -0.19 0.71 -0.49 0.00 0.00 175.26 176.27 1x7q s TYR 78 N -0.82 1.96 0.24 1.61 2.02 -1.26 -0.39 117.35 120.71 1x7q s TYR 78 Ca 0.12 -0.45 -0.21 0.00 -0.37 0.00 0.00 57.07 56.16 1x7q s TYR 78 Cb -0.11 -0.93 0.03 0.00 -0.40 0.00 0.00 41.96 40.55 1x7q s TYR 78 CO 0.02 0.44 0.67 0.00 -1.57 0.00 0.00 175.55 175.11 1x7q s ALA 79 N -2.30 -1.29 -0.07 3.71 0.00 -0.76 -0.77 121.76 120.29 1x7q s ALA 79 Ca 0.21 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1x7q s ALA 79 Cb -0.05 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1x7q s ALA 79 CO 0.09 -0.95 -0.24 0.00 0.00 0.00 0.00 175.76 174.66 1x7q s ARG 81 N -0.06 3.10 -0.09 0.00 3.52 0.48 -1.01 118.95 124.89 1x7q s ARG 81 Ca -0.07 -0.78 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 1x7q s ARG 81 Cb -0.15 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1x7q s ARG 81 CO 0.05 -0.24 -0.20 0.08 -0.81 0.00 0.00 175.30 174.18 1x7q s VAL 82 N 1.36 2.47 0.10 7.11 1.01 0.37 -1.13 120.40 131.69 1x7q s VAL 82 Ca 0.04 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1x7q s VAL 82 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1x7q s VAL 82 CO -0.08 0.56 -0.24 0.21 0.00 0.00 0.00 175.10 175.55 1x7q s ASN 83 N 0.03 2.89 -0.00 3.32 2.47 0.03 -0.49 114.94 123.20 1x7q s ASN 83 Ca -0.07 -0.68 -0.29 0.00 0.42 0.00 0.00 52.86 52.24 1x7q s ASN 83 Cb -0.15 -0.19 0.07 0.00 -1.45 0.00 0.00 41.25 39.53 1x7q s ASN 83 CO 0.05 0.14 0.67 -2.28 -3.72 0.00 0.00 177.10 171.96 1x7q s HIS 84 N -1.04 -0.62 0.59 0.43 5.65 -1.26 -1.29 115.29 117.75 1x7q s HIS 84 Ca 0.10 0.93 0.30 0.00 0.25 0.00 0.00 55.06 56.64 1x7q s HIS 84 Cb -0.10 0.45 1.83 0.00 -1.18 0.00 0.00 32.58 33.58 1x7q s HIS 84 CO 0.04 -0.66 2.24 -0.24 -0.65 0.00 0.00 174.74 175.47 1x7q h VAL 85 N 2.75 0.49 0.00 0.89 3.04 -1.95 -1.00 116.25 120.47 1x7q h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1x7q h VAL 85 Cb 1.18 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1x7q h VAL 85 CO 0.39 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.30 1x7q n THR 86 N -3.80 0.56 -3.96 3.17 -2.24 -1.26 -4.80 114.28 101.95 1x7q n THR 86 Ca -0.02 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 1x7q n THR 86 Cb 0.12 -0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 1x7q n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x7q s LEU 87 N -3.95 4.23 0.24 3.22 1.43 -0.38 -4.99 118.68 118.48 1x7q s LEU 87 Ca 0.10 0.39 0.24 0.00 -1.03 0.00 0.00 54.13 53.83 1x7q s LEU 87 Cb 0.13 -2.03 0.46 0.00 0.03 0.00 0.00 46.19 44.78 1x7q s LEU 87 CO 0.49 0.38 1.51 0.77 0.23 0.00 0.00 176.35 179.74 1x7q h SER 88 N 5.17 0.00 -5.15 2.29 4.64 -1.87 -3.44 113.55 115.19 1x7q h SER 88 Ca -0.53 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.64 1x7q h SER 88 Cb 1.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 1x7q h SER 88 CO 0.59 0.03 -0.39 0.00 -0.87 0.00 0.00 176.83 176.19 1x7q s GLN 89 N -3.18 0.80 0.46 4.77 -2.07 -1.26 -5.14 119.66 114.05 1x7q s GLN 89 Ca 0.07 -0.92 -0.25 0.00 -1.82 0.00 0.00 55.36 52.45 1x7q s GLN 89 Cb 0.10 0.33 -0.08 0.00 -1.09 0.00 0.00 33.01 32.27 1x7q s GLN 89 CO 0.67 -0.25 1.38 -2.14 -1.32 0.00 0.00 175.29 173.64 1x7q s PRO 90 N -3.64 3.64 -0.24 9.60 0.02 -1.26 -4.92 135.00 138.20 1x7q s PRO 90 Ca 0.03 2.31 -0.10 0.00 0.02 0.00 0.00 61.00 63.27 1x7q s PRO 90 Cb 0.04 -2.59 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 1x7q s PRO 90 CO -0.10 -0.82 0.14 0.21 -0.33 0.00 0.00 177.00 176.11 1x7q s LYS 91 N -2.50 3.97 -0.20 5.54 2.20 0.36 -4.91 119.74 124.19 1x7q s LYS 91 Ca 0.62 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.87 1x7q s LYS 91 Cb -0.42 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1x7q s LYS 91 CO 0.53 -0.01 -0.04 0.42 -0.36 0.00 0.00 175.35 175.89 1x7q s ILE 92 N 1.23 3.58 -0.21 5.43 1.01 -1.26 -0.47 121.20 130.51 1x7q s ILE 92 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1x7q s ILE 92 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1x7q s ILE 92 CO 0.06 0.44 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1x7q s VAL 93 N 1.11 2.72 0.39 2.92 1.01 -0.18 -4.97 120.40 123.40 1x7q s VAL 93 Ca 0.02 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1x7q s VAL 93 Cb -0.15 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1x7q s VAL 93 CO 0.00 0.40 1.06 -0.54 0.00 0.00 0.00 175.10 176.03 1x7q s LYS 94 N 1.36 4.20 -0.08 2.72 1.02 -1.26 -0.73 119.74 126.97 1x7q s LYS 94 Ca 0.04 1.57 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 1x7q s LYS 94 Cb -0.14 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1x7q s LYS 94 CO -0.07 -0.12 1.16 -0.46 -0.92 0.00 0.00 175.35 174.93 1x7q s TRP 95 N -1.58 3.24 -0.24 3.18 -0.00 0.05 -4.86 118.94 118.73 1x7q s TRP 95 Ca 0.56 1.29 0.01 0.00 -0.00 0.00 0.00 56.10 57.96 1x7q s TRP 95 Cb -0.24 -3.37 0.04 0.00 -0.00 0.00 0.00 33.47 29.90 1x7q s TRP 95 CO 0.30 -1.07 -0.11 0.34 -0.00 0.00 0.00 176.95 176.41 1x7q s ASP 96 N 1.42 4.08 0.00 5.86 -1.08 -1.26 -4.75 116.67 120.94 1x7q s ASP 96 Ca 0.54 -1.02 0.23 0.00 -0.52 0.00 0.00 52.55 51.77 1x7q s ASP 96 Cb -0.23 -1.58 1.28 0.00 -1.46 0.00 0.00 42.92 40.94 1x7q s ASP 96 CO 0.20 -0.12 1.73 -2.11 0.52 0.00 0.00 175.17 175.38 1x7q n ARG 97 N 4.57 0.59 0.00 4.34 1.85 -1.26 -1.43 116.66 125.32 1x7q n ARG 97 Ca -0.17 0.02 0.14 0.00 -1.00 0.00 0.00 57.85 56.85 1x7q n ARG 97 Cb 0.46 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 30.97 1x7q n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1x7q n ASP 98 N -1.09 1.14 0.00 2.89 8.00 -1.26 -4.87 116.55 121.36 1x7q n ASP 98 Ca 0.15 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1x7q n ASP 98 Cb 0.11 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1x7q n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04