#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7t n ILE 1 N 0.00 0.91 -3.57 2.02 5.41 -1.26 -4.99 119.36 117.88 1i7t n ILE 1 Ca 0.00 -0.23 -0.29 0.00 1.00 0.00 0.00 62.75 63.23 1i7t n ILE 1 Cb 0.00 -1.70 -0.14 0.00 -0.71 0.00 0.00 39.64 37.09 1i7t n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1i7t s GLN 2 N -0.34 0.53 -0.08 0.38 -0.21 -1.26 -4.26 119.66 114.42 1i7t s GLN 2 Ca 0.67 -1.07 -0.16 0.00 0.02 0.00 0.00 55.36 54.82 1i7t s GLN 2 Cb -0.58 -1.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 1i7t s GLN 2 CO 0.48 -1.10 0.41 1.03 -2.12 0.00 0.00 175.29 173.99 1i7t s ARG 3 N 1.46 4.17 -0.02 2.91 0.52 0.02 -4.91 118.95 123.10 1i7t s ARG 3 Ca 0.13 0.36 -0.22 0.00 -0.52 0.00 0.00 55.73 55.48 1i7t s ARG 3 Cb -0.20 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 1i7t s ARG 3 CO -0.17 0.37 0.65 -0.08 0.02 0.00 0.00 175.30 176.08 1i7t s THR 4 N -0.02 4.93 0.27 0.02 -1.32 -1.26 -0.83 115.64 117.42 1i7t s THR 4 Ca 0.23 1.35 -0.30 0.00 -1.21 0.00 0.00 61.69 61.76 1i7t s THR 4 Cb -0.15 -3.99 -0.11 0.00 -1.51 0.00 0.00 72.50 66.74 1i7t s THR 4 CO 0.10 0.36 1.59 -2.16 -2.21 0.00 0.00 174.62 172.30 1i7t s PRO 5 N 0.13 4.14 -0.09 7.08 0.04 -1.26 -4.38 135.00 140.66 1i7t s PRO 5 Ca 0.34 2.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.73 1i7t s PRO 5 Cb -0.18 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1i7t s PRO 5 CO 0.18 -0.62 0.51 0.15 0.04 0.00 0.00 177.00 177.26 1i7t s LYS 6 N -0.21 4.33 -0.16 4.56 1.02 0.15 -4.84 119.74 124.59 1i7t s LYS 6 Ca 0.65 0.53 -0.03 0.00 0.02 0.00 0.00 55.97 57.13 1i7t s LYS 6 Cb -0.47 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.40 1i7t s LYS 6 CO 0.45 0.20 -0.04 0.42 -0.92 0.00 0.00 175.35 175.45 1i7t s ILE 7 N 0.46 3.77 -0.13 2.17 1.01 -1.26 -0.91 121.20 126.31 1i7t s ILE 7 Ca 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1i7t s ILE 7 Cb -0.16 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1i7t s ILE 7 CO 0.12 0.49 -0.01 -1.10 0.00 0.00 0.00 174.94 174.44 1i7t s GLN 8 N 0.48 0.89 -0.19 2.79 -0.21 0.09 -4.97 119.66 118.55 1i7t s GLN 8 Ca -0.04 -0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 1i7t s GLN 8 Cb -0.14 -1.56 -0.01 0.00 1.00 0.00 0.00 33.01 32.29 1i7t s GLN 8 CO 0.03 -0.42 -0.06 0.54 -2.12 0.00 0.00 175.29 173.27 1i7t s VAL 9 N 1.84 3.43 0.32 1.09 0.11 -1.26 0.78 120.40 126.71 1i7t s VAL 9 Ca 0.03 -0.49 -0.10 0.00 -2.93 0.00 0.00 61.98 58.48 1i7t s VAL 9 Cb -0.14 -2.53 0.04 0.00 -1.53 0.00 0.00 36.38 32.22 1i7t s VAL 9 CO -0.07 0.45 0.61 0.00 -3.33 0.00 0.00 175.10 172.76 1i7t n TYR 10 N 4.34 -1.97 -4.37 1.54 4.11 0.15 -4.53 117.16 116.43 1i7t n TYR 10 Ca -0.18 -1.62 -0.28 0.00 -0.00 0.00 0.00 57.90 55.82 1i7t n TYR 10 Cb 0.51 0.71 -0.12 0.00 -0.00 0.00 0.00 39.34 40.44 1i7t n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1i7t s SER 11 N -2.73 3.58 0.09 9.48 1.04 -1.26 0.18 113.70 124.08 1i7t s SER 11 Ca 0.15 -0.71 -0.27 0.00 0.48 0.00 0.00 55.95 55.60 1i7t s SER 11 Cb -0.03 -0.36 -0.15 0.00 0.10 0.00 0.00 66.02 65.58 1i7t s SER 11 CO 0.11 0.16 1.68 -0.09 0.98 0.00 0.00 173.24 176.08 1i7t h ARG 12 N 3.60 -0.41 -6.27 4.02 2.43 -1.76 -3.44 114.38 112.56 1i7t h ARG 12 Ca -0.49 0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.13 1i7t h ARG 12 Cb 1.18 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.73 1i7t h ARG 12 CO 0.44 -0.27 -0.63 -1.01 -1.51 0.00 0.00 179.97 176.99 1i7t s HIS 13 N -6.12 2.85 0.31 2.20 3.76 -1.26 -5.06 115.29 111.96 1i7t s HIS 13 Ca -0.15 -0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 1i7t s HIS 13 Cb 0.06 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.30 1i7t s HIS 13 CO 0.64 0.55 1.48 -2.30 -0.85 0.00 0.00 174.74 174.26 1i7t n PRO 14 N -0.54 2.45 -1.96 8.40 -0.02 -1.26 -4.90 135.00 137.18 1i7t n PRO 14 Ca -0.08 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 1i7t n PRO 14 Cb 0.57 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1i7t n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i7t s ALA 15 N -0.45 3.35 -0.24 3.55 0.00 -1.26 -5.00 121.76 121.71 1i7t s ALA 15 Ca 0.61 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.89 1i7t s ALA 15 Cb -0.54 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.17 1i7t s ALA 15 CO 0.54 -0.92 0.28 -1.21 0.00 0.00 0.00 175.76 174.46 1i7t s GLU 16 N -2.20 0.27 -0.09 0.00 2.02 -1.26 -5.11 118.70 112.34 1i7t s GLU 16 Ca 0.56 0.20 -0.37 0.00 0.02 0.00 0.00 54.97 55.38 1i7t s GLU 16 Cb -0.41 -0.86 -0.15 0.00 0.10 0.00 0.00 34.13 32.81 1i7t s GLU 16 CO 0.54 -0.75 1.66 0.09 0.02 0.00 0.00 175.26 176.82 1i7t n ASN 17 N 5.33 2.58 0.00 -0.19 3.02 -1.26 -1.05 115.26 123.68 1i7t n ASN 17 Ca -0.04 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1i7t n ASN 17 Cb 0.49 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1i7t n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i7t n GLY 18 N 3.75 2.96 3.76 7.41 0.00 -0.83 -4.97 105.19 117.28 1i7t n GLY 18 Ca 0.22 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1i7t n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7t s LYS 19 N 0.00 4.72 0.52 1.61 1.02 -0.22 -4.93 119.74 122.46 1i7t s LYS 19 Ca 0.00 1.34 -0.21 0.00 0.02 0.00 0.00 55.97 57.12 1i7t s LYS 19 Cb 0.00 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 34.04 1i7t s LYS 19 CO 0.00 0.51 1.21 0.45 -0.92 0.00 0.00 175.35 176.60 1i7t s SER 20 N -1.23 5.67 0.00 2.83 0.15 -1.26 -4.03 113.70 115.83 1i7t s SER 20 Ca 0.40 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.46 1i7t s SER 20 Cb -0.24 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1i7t s SER 20 CO 0.29 -1.27 0.00 -3.20 1.20 0.00 0.00 173.24 170.26 1i7t n ASN 21 N -0.99 0.00 -3.84 5.45 2.85 0.40 -5.00 115.26 114.13 1i7t n ASN 21 Ca 0.10 -0.89 -0.23 0.00 -0.11 0.00 0.00 54.58 53.45 1i7t n ASN 21 Cb 0.48 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.33 1i7t n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1i7t s PHE 22 N -6.84 0.88 -0.27 1.20 0.40 -1.26 -1.64 117.98 110.45 1i7t s PHE 22 Ca 0.00 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.84 1i7t s PHE 22 Cb 0.00 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 1i7t s PHE 22 CO 0.00 -0.32 0.55 -1.17 0.70 0.00 0.00 175.22 174.98 1i7t s LEU 23 N 1.55 4.07 0.13 -0.37 2.96 0.12 -1.85 118.68 125.29 1i7t s LEU 23 Ca -0.01 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1i7t s LEU 23 Cb -0.13 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1i7t s LEU 23 CO -0.04 -0.32 0.09 0.20 -1.32 0.00 0.00 176.35 174.96 1i7t s ASN 24 N 1.54 5.38 -0.21 3.68 0.01 0.48 -2.09 114.94 123.73 1i7t s ASN 24 Ca 0.22 -0.13 -0.04 0.00 -0.71 0.00 0.00 52.86 52.20 1i7t s ASN 24 Cb -0.16 -1.37 0.08 0.00 0.41 0.00 0.00 41.25 40.21 1i7t s ASN 24 CO 0.09 0.11 0.12 0.00 -1.51 0.00 0.00 177.10 175.92 1i7t s TYR 26 N 2.16 3.20 -0.14 0.00 5.04 0.23 -1.17 117.35 126.68 1i7t s TYR 26 Ca 0.05 -0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 54.44 1i7t s TYR 26 Cb -0.16 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.73 1i7t s TYR 26 CO -0.17 -0.31 -0.02 0.14 -1.34 0.00 0.00 175.55 173.85 1i7t s VAL 27 N 1.70 4.08 0.15 3.14 -7.23 -1.02 -0.73 120.40 120.49 1i7t s VAL 27 Ca 0.06 -0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 1i7t s VAL 27 Cb -0.17 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1i7t s VAL 27 CO 0.09 0.51 0.30 -0.94 -0.31 0.00 0.00 175.10 174.75 1i7t s SER 28 N 0.11 0.00 -0.28 4.85 1.04 -0.09 -2.01 113.70 117.32 1i7t s SER 28 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1i7t s SER 28 Cb -0.13 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1i7t s SER 28 CO 0.02 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1i7t n GLY 29 N -0.20 0.48 3.95 7.32 0.00 -0.06 0.35 105.19 117.02 1i7t n GLY 29 Ca -0.10 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1i7t n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i7t s PHE 30 N -1.70 3.10 -0.29 1.61 -0.71 -1.24 -4.30 117.98 114.46 1i7t s PHE 30 Ca 0.00 0.29 -0.17 0.00 -1.04 0.00 0.00 56.93 56.01 1i7t s PHE 30 Cb 0.00 -2.62 0.18 0.00 -1.21 0.00 0.00 43.02 39.37 1i7t s PHE 30 CO 0.00 -0.71 1.14 -1.58 -1.34 0.00 0.00 175.22 172.73 1i7t s HIS 31 N -2.78 -0.29 0.90 3.49 2.46 -0.01 -1.37 115.29 117.69 1i7t s HIS 31 Ca 0.53 0.58 -0.15 0.00 0.47 0.00 0.00 55.06 56.49 1i7t s HIS 31 Cb -0.10 0.19 0.23 0.00 -0.13 0.00 0.00 32.58 32.77 1i7t s HIS 31 CO 0.40 -0.14 0.64 -0.35 -2.47 0.00 0.00 174.74 172.82 1i7t n PRO 32 N 3.26 -3.28 0.13 2.88 -0.04 -1.26 -0.80 135.00 135.90 1i7t n PRO 32 Ca -0.17 -1.04 0.13 0.00 -0.04 0.00 0.00 63.50 62.37 1i7t n PRO 32 Cb 0.57 -1.18 0.28 0.00 -0.04 0.00 0.00 33.50 33.13 1i7t n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1i7t h SER 33 N -2.68 0.00 -2.24 3.54 4.64 -1.98 -3.45 113.55 111.37 1i7t h SER 33 Ca -0.26 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.47 1i7t h SER 33 Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1i7t h SER 33 CO 0.17 0.02 1.31 -0.67 -0.87 0.00 0.00 176.83 176.78 1i7t n ASP 34 N -2.49 3.91 -3.69 4.97 4.64 -1.26 -4.93 116.55 117.71 1i7t n ASP 34 Ca 0.04 0.71 -0.13 0.00 -1.38 0.00 0.00 54.79 54.03 1i7t n ASP 34 Cb 0.47 -1.53 -0.09 0.00 -1.04 0.00 0.00 41.12 38.93 1i7t n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1i7t s ILE 35 N 5.52 -0.00 -0.22 5.18 2.07 -1.26 -4.72 121.20 127.76 1i7t s ILE 35 Ca 0.92 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 60.07 1i7t s ILE 35 Cb -0.41 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.36 1i7t s ILE 35 CO 0.40 0.00 0.12 -1.61 -1.91 0.00 0.00 174.94 171.95 1i7t s GLU 36 N 0.31 4.02 -0.04 3.50 2.02 0.03 -4.95 118.70 123.59 1i7t s GLU 36 Ca -0.00 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1i7t s GLU 36 Cb -0.04 -3.42 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1i7t s GLU 36 CO 0.01 0.12 -0.03 0.08 0.02 0.00 0.00 175.26 175.46 1i7t s VAL 37 N 0.84 0.41 0.01 2.63 1.01 -1.26 -0.47 120.40 123.57 1i7t s VAL 37 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1i7t s VAL 37 Cb -0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1i7t s VAL 37 CO 0.03 0.20 -0.05 -1.81 0.00 0.00 0.00 175.10 173.46 1i7t s ASP 38 N 0.98 0.60 -0.16 3.32 1.01 -0.07 -4.98 116.67 117.37 1i7t s ASP 38 Ca -0.10 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 52.87 1i7t s ASP 38 Cb -0.14 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 1i7t s ASP 38 CO -0.01 -0.04 0.02 -0.76 0.21 0.00 0.00 175.17 174.60 1i7t s LEU 39 N -0.59 3.61 -0.03 1.23 1.43 -1.26 -0.47 118.68 122.61 1i7t s LEU 39 Ca -0.03 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1i7t s LEU 39 Cb -0.04 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1i7t s LEU 39 CO -0.00 0.21 -0.21 -0.76 0.23 0.00 0.00 176.35 175.81 1i7t s LEU 40 N 0.16 2.35 -0.27 1.79 1.43 0.25 -1.07 118.68 123.32 1i7t s LEU 40 Ca 0.02 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1i7t s LEU 40 Cb -0.13 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.70 1i7t s LEU 40 CO 0.01 0.33 -0.02 -0.75 0.23 0.00 0.00 176.35 176.15 1i7t s LYS 41 N -0.72 2.69 -1.56 1.70 2.20 -0.20 -0.80 119.74 123.05 1i7t s LYS 41 Ca 0.11 -1.09 -0.13 0.00 -0.36 0.00 0.00 55.97 54.50 1i7t s LYS 41 Cb -0.10 -3.10 0.10 0.00 -1.51 0.00 0.00 37.83 33.21 1i7t s LYS 41 CO -0.00 -0.50 0.87 0.09 -0.36 0.00 0.00 175.35 175.45 1i7t n ASN 42 N 4.67 -3.78 0.00 1.43 3.02 0.18 -1.61 115.26 119.16 1i7t n ASN 42 Ca -0.15 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1i7t n ASN 42 Cb 0.46 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1i7t n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i7t n GLY 43 N -1.62 2.66 3.79 7.41 0.00 -1.26 -5.02 105.19 111.15 1i7t n GLY 43 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1i7t n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i7t s GLU 44 N 0.00 4.21 0.30 1.61 2.12 -0.64 -4.96 118.70 121.34 1i7t s GLU 44 Ca 0.00 1.37 -0.28 0.00 0.36 0.00 0.00 54.97 56.42 1i7t s GLU 44 Cb 0.00 -2.45 -0.09 0.00 0.26 0.00 0.00 34.13 31.84 1i7t s GLU 44 CO 0.00 -0.08 1.05 0.50 -0.54 0.00 0.00 175.26 176.20 1i7t s ARG 45 N -2.65 4.58 -0.12 4.30 3.52 -1.26 -1.03 118.95 126.28 1i7t s ARG 45 Ca 0.58 1.66 -0.15 0.00 -0.13 0.00 0.00 55.73 57.69 1i7t s ARG 45 Cb -0.18 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1i7t s ARG 45 CO 0.23 0.20 0.38 0.42 -0.81 0.00 0.00 175.30 175.71 1i7t s ILE 46 N -1.29 5.22 0.00 4.11 1.01 -0.23 -4.86 121.20 125.16 1i7t s ILE 46 Ca 0.47 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1i7t s ILE 46 Cb -0.28 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1i7t s ILE 46 CO 0.36 0.40 0.32 -0.62 0.00 0.00 0.00 174.94 175.40 1i7t n GLU 47 N 3.27 0.00 -1.58 2.79 1.02 -1.26 -4.50 120.64 120.38 1i7t n GLU 47 Ca -0.11 0.31 -0.15 0.00 -0.02 0.00 0.00 57.16 57.19 1i7t n GLU 47 Cb 0.52 -1.01 -0.12 0.00 -0.02 0.00 0.00 31.44 30.81 1i7t n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1i7t n LYS 48 N -1.44 0.15 -3.83 3.49 0.00 -1.26 -4.83 118.16 110.46 1i7t n LYS 48 Ca 0.00 -1.73 -0.25 0.00 0.00 0.00 0.00 58.31 56.34 1i7t n LYS 48 Cb 0.00 -3.92 -0.17 0.00 0.00 0.00 0.00 35.03 30.94 1i7t n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1i7t s VAL 49 N 17.09 0.65 0.46 3.15 1.01 -1.26 -4.63 120.40 136.87 1i7t s VAL 49 Ca 0.81 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1i7t s VAL 49 Cb -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1i7t s VAL 49 CO 0.19 0.29 0.52 -1.61 0.00 0.00 0.00 175.10 174.49 1i7t s GLU 50 N 1.86 2.54 -0.06 2.72 2.02 -0.99 -4.97 118.70 121.82 1i7t s GLU 50 Ca 0.05 -1.53 -0.12 0.00 0.02 0.00 0.00 54.97 53.39 1i7t s GLU 50 Cb -0.12 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.63 1i7t s GLU 50 CO -0.07 -0.40 0.29 -3.38 0.02 0.00 0.00 175.26 171.73 1i7t s HIS 51 N -2.51 -0.23 1.26 1.61 -3.43 -1.26 -1.85 115.29 108.88 1i7t s HIS 51 Ca 0.51 0.48 -0.15 0.00 -0.80 0.00 0.00 55.06 55.10 1i7t s HIS 51 Cb -0.06 0.09 0.32 0.00 -1.43 0.00 0.00 32.58 31.51 1i7t s HIS 51 CO 0.31 -0.27 0.99 -1.54 -2.00 0.00 0.00 174.74 172.22 1i7t s SER 52 N -0.64 0.17 0.12 7.38 1.04 -0.15 -4.93 113.70 116.70 1i7t s SER 52 Ca -0.07 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.41 1i7t s SER 52 Cb -0.04 -2.07 -0.06 0.00 0.10 0.00 0.00 66.02 63.95 1i7t s SER 52 CO 0.02 -4.68 0.96 -1.81 0.98 0.00 0.00 173.24 168.71 1i7t s ASP 53 N -2.57 7.51 -0.20 7.02 1.01 -1.26 -4.68 116.67 123.50 1i7t s ASP 53 Ca 0.69 1.80 -0.40 0.00 0.71 0.00 0.00 52.55 55.35 1i7t s ASP 53 Cb -0.23 -2.59 -0.17 0.00 1.01 0.00 0.00 42.92 40.95 1i7t s ASP 53 CO 0.64 -0.04 1.60 -0.11 0.21 0.00 0.00 175.17 177.47 1i7t n LEU 54 N 2.64 1.97 -3.91 1.23 7.94 -1.26 -4.91 117.00 120.70 1i7t n LEU 54 Ca 0.02 1.10 -0.09 0.00 -1.11 0.00 0.00 56.01 55.93 1i7t n LEU 54 Cb 0.49 -1.11 -0.07 0.00 0.53 0.00 0.00 43.42 43.26 1i7t n LEU 54 CO 0.51 -0.69 -0.04 -0.55 -1.11 0.00 0.00 177.39 175.50 1i7t s SER 55 N 2.60 0.06 0.24 1.96 0.15 -1.23 -5.04 113.70 112.45 1i7t s SER 55 Ca 0.96 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1i7t s SER 55 Cb -1.10 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 63.56 1i7t s SER 55 CO 0.63 -0.83 0.09 0.72 1.20 0.00 0.00 173.24 175.04 1i7t s PHE 56 N -3.92 1.48 0.11 3.44 -0.71 -1.26 -0.43 117.98 116.69 1i7t s PHE 56 Ca 0.12 -1.17 0.02 0.00 -1.04 0.00 0.00 56.93 54.86 1i7t s PHE 56 Cb 0.04 -0.86 0.02 0.00 -1.21 0.00 0.00 43.02 41.01 1i7t s PHE 56 CO -0.05 -0.33 0.15 -1.13 -1.34 0.00 0.00 175.22 172.52 1i7t n SER 57 N -0.43 0.53 -0.13 1.98 3.41 -0.73 -4.94 113.62 113.31 1i7t n SER 57 Ca -0.01 -1.31 0.16 0.00 -0.26 0.00 0.00 58.87 57.45 1i7t n SER 57 Cb 0.66 -0.07 0.54 0.00 -0.26 0.00 0.00 64.21 65.07 1i7t n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1i7t h LYS 58 N 0.00 0.33 -0.60 4.33 1.57 -2.03 -1.47 116.57 118.71 1i7t h LYS 58 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1i7t h LYS 58 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1i7t h LYS 58 CO 0.08 0.22 0.00 -0.40 -0.57 0.00 0.00 179.45 178.78 1i7t n ASP 59 N -4.46 3.12 0.00 0.86 5.68 -1.26 -4.92 116.55 115.57 1i7t n ASP 59 Ca 0.13 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1i7t n ASP 59 Cb 0.53 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1i7t n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i7t n TRP 60 N 0.58 0.00 -2.50 2.11 7.02 -0.55 -4.99 117.44 119.10 1i7t n TRP 60 Ca 0.16 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.25 1i7t n TRP 60 Cb 0.60 -0.53 -0.04 0.00 -2.42 0.00 0.00 31.31 28.92 1i7t n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1i7t s SER 61 N -2.67 7.04 0.88 -0.99 1.04 -1.26 -4.73 113.70 113.01 1i7t s SER 61 Ca 0.00 2.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 1i7t s SER 61 Cb 0.00 -2.61 0.14 0.00 0.10 0.00 0.00 66.02 63.65 1i7t s SER 61 CO 0.00 -0.30 1.25 -0.36 0.98 0.00 0.00 173.24 174.81 1i7t s PHE 62 N -1.37 2.32 -0.29 5.02 0.08 -0.47 -1.77 117.98 121.50 1i7t s PHE 62 Ca 0.50 0.55 -0.15 0.00 0.12 0.00 0.00 56.93 57.95 1i7t s PHE 62 Cb -0.28 -3.79 0.14 0.00 -0.57 0.00 0.00 43.02 38.52 1i7t s PHE 62 CO 0.35 -2.19 0.90 1.52 -0.10 0.00 0.00 175.22 175.71 1i7t s TYR 63 N -3.73 -0.74 0.09 0.36 -0.85 0.43 -0.88 117.35 112.04 1i7t s TYR 63 Ca 0.68 1.41 0.05 0.00 -0.52 0.00 0.00 57.07 58.69 1i7t s TYR 63 Cb -0.08 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 1i7t s TYR 63 CO 0.51 -0.37 -0.13 -0.51 -1.52 0.00 0.00 175.55 173.53 1i7t s LEU 64 N 1.73 2.34 -0.15 -3.49 1.43 -0.85 -3.47 118.68 116.22 1i7t s LEU 64 Ca -0.08 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1i7t s LEU 64 Cb -0.05 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 1i7t s LEU 64 CO -0.17 -0.13 -0.13 -0.22 0.23 0.00 0.00 176.35 175.93 1i7t s LEU 65 N -2.11 2.64 -0.25 1.79 2.96 -1.26 -2.44 118.68 120.02 1i7t s LEU 65 Ca 0.03 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1i7t s LEU 65 Cb -0.07 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1i7t s LEU 65 CO 0.02 0.12 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.86 1i7t s TYR 66 N 0.62 3.04 0.32 5.38 1.51 -0.31 -0.98 117.35 126.93 1i7t s TYR 66 Ca -0.07 -1.01 0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1i7t s TYR 66 Cb -0.16 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 1i7t s TYR 66 CO 0.03 -0.57 0.08 1.52 -1.11 0.00 0.00 175.55 175.50 1i7t s TYR 67 N 1.47 1.84 -0.18 2.71 1.13 -0.77 -0.01 117.35 123.53 1i7t s TYR 67 Ca 0.04 -1.06 -0.30 0.00 -1.41 0.00 0.00 57.07 54.34 1i7t s TYR 67 Cb -0.16 -1.18 0.14 0.00 -1.10 0.00 0.00 41.96 39.67 1i7t s TYR 67 CO -0.01 -0.12 1.08 -0.08 -2.51 0.00 0.00 175.55 173.91 1i7t s THR 68 N -3.40 0.00 0.25 -3.49 -1.32 -0.89 -2.35 115.64 104.44 1i7t s THR 68 Ca 0.35 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.54 1i7t s THR 68 Cb 0.08 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.98 1i7t s THR 68 CO 0.15 0.00 0.93 -1.61 -2.21 0.00 0.00 174.62 171.88 1i7t s GLU 69 N -1.22 4.80 0.22 7.08 2.02 -1.26 0.16 118.70 130.50 1i7t s GLU 69 Ca 0.01 1.44 -0.23 0.00 0.02 0.00 0.00 54.97 56.22 1i7t s GLU 69 Cb -0.01 -3.20 0.04 0.00 0.10 0.00 0.00 34.13 31.06 1i7t s GLU 69 CO -0.01 0.49 0.79 -0.59 0.02 0.00 0.00 175.26 175.95 1i7t s PHE 70 N -1.25 -0.21 -0.20 1.61 -0.71 -0.65 -4.83 117.98 111.75 1i7t s PHE 70 Ca 0.42 -0.17 -0.02 0.00 -1.04 0.00 0.00 56.93 56.12 1i7t s PHE 70 Cb -0.25 0.67 0.06 0.00 -1.21 0.00 0.00 43.02 42.29 1i7t s PHE 70 CO 0.30 -1.05 0.01 0.99 -1.34 0.00 0.00 175.22 174.13 1i7t s THR 71 N -3.68 0.80 0.62 -4.49 2.01 -1.26 -0.45 115.64 109.18 1i7t s THR 71 Ca 0.10 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1i7t s THR 71 Cb -0.04 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 1i7t s THR 71 CO 0.03 -0.14 0.63 -2.65 -0.69 0.00 0.00 174.62 171.80 1i7t n PRO 72 N 4.95 0.54 -3.83 4.92 -0.02 -1.26 -4.80 135.00 135.51 1i7t n PRO 72 Ca -0.10 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 1i7t n PRO 72 Cb 0.47 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1i7t n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1i7t s THR 73 N -1.72 0.06 0.09 3.45 2.01 -1.26 -1.95 115.64 116.32 1i7t s THR 73 Ca 0.70 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 1i7t s THR 73 Cb -0.41 -0.47 -0.14 0.00 0.01 0.00 0.00 72.50 71.49 1i7t s THR 73 CO 0.53 -0.29 1.69 -0.08 -0.69 0.00 0.00 174.62 175.78 1i7t h GLU 74 N 4.35 -0.29 0.00 4.92 4.81 -1.95 -3.02 114.58 123.41 1i7t h GLU 74 Ca -0.30 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1i7t h GLU 74 Cb 1.19 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1i7t h GLU 74 CO 0.40 -0.19 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.13 1i7t h LYS 75 N -0.30 0.00 -6.78 1.92 3.11 -2.02 -3.45 116.57 109.04 1i7t h LYS 75 Ca -0.01 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.35 1i7t h LYS 75 Cb 0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1i7t h LYS 75 CO -0.00 0.14 0.24 -0.51 -2.81 0.00 0.00 179.45 176.50 1i7t s ASP 76 N -6.06 7.12 -0.07 4.20 1.01 -1.14 -5.07 116.67 116.66 1i7t s ASP 76 Ca -0.01 1.61 0.04 0.00 0.71 0.00 0.00 52.55 54.89 1i7t s ASP 76 Cb 0.12 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1i7t s ASP 76 CO 0.59 -0.09 -0.19 -1.61 0.21 0.00 0.00 175.17 174.08 1i7t s GLU 77 N -2.30 2.18 0.13 8.23 2.02 -1.26 -4.76 118.70 122.94 1i7t s GLU 77 Ca 0.50 -0.66 0.10 0.00 0.02 0.00 0.00 54.97 54.93 1i7t s GLU 77 Cb -0.16 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1i7t s GLU 77 CO 0.20 0.18 -0.24 0.71 0.02 0.00 0.00 175.26 176.14 1i7t s TYR 78 N 0.26 2.12 0.23 1.61 2.02 -1.26 0.49 117.35 122.83 1i7t s TYR 78 Ca -0.11 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 1i7t s TYR 78 Cb -0.15 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1i7t s TYR 78 CO 0.05 0.32 0.53 0.00 -1.57 0.00 0.00 175.55 174.87 1i7t s ALA 79 N -1.22 -0.64 -0.13 3.71 0.00 0.02 -0.90 121.76 122.60 1i7t s ALA 79 Ca 0.13 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1i7t s ALA 79 Cb -0.10 0.95 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1i7t s ALA 79 CO 0.06 -0.87 -0.19 0.00 0.00 0.00 0.00 175.76 174.77 1i7t s ARG 81 N 0.60 3.49 0.06 0.00 3.52 0.38 -0.61 118.95 126.39 1i7t s ARG 81 Ca -0.10 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 1i7t s ARG 81 Cb -0.16 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1i7t s ARG 81 CO 0.03 0.25 -0.11 0.08 -0.81 0.00 0.00 175.30 174.74 1i7t s VAL 82 N 0.29 0.87 0.00 7.11 1.01 0.19 -0.89 120.40 128.98 1i7t s VAL 82 Ca -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1i7t s VAL 82 Cb -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1i7t s VAL 82 CO 0.04 -0.27 0.01 0.21 0.00 0.00 0.00 175.10 175.09 1i7t s ASN 83 N -1.62 0.09 0.27 3.32 2.47 0.38 -1.20 114.94 118.66 1i7t s ASN 83 Ca -0.05 -0.20 -0.18 0.00 0.42 0.00 0.00 52.86 52.85 1i7t s ASN 83 Cb -0.10 0.08 0.01 0.00 -1.45 0.00 0.00 41.25 39.80 1i7t s ASN 83 CO 0.01 -0.15 0.65 -2.28 -3.72 0.00 0.00 177.10 171.61 1i7t s HIS 84 N -0.70 -0.01 0.38 0.43 2.46 -1.26 -0.79 115.29 115.80 1i7t s HIS 84 Ca -0.08 -0.43 0.10 0.00 0.47 0.00 0.00 55.06 55.12 1i7t s HIS 84 Cb -0.05 0.56 0.75 0.00 -0.13 0.00 0.00 32.58 33.71 1i7t s HIS 84 CO -0.00 -1.18 1.88 -0.39 -2.47 0.00 0.00 174.74 172.57 1i7t h VAL 85 N 2.07 1.21 0.00 0.89 -1.51 -1.95 -2.23 116.25 114.73 1i7t h VAL 85 Ca -0.22 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.30 1i7t h VAL 85 Cb 1.25 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1i7t h VAL 85 CO 0.27 0.29 0.00 0.35 -1.23 0.00 0.00 177.57 177.25 1i7t n THR 86 N -4.22 0.62 -4.19 7.19 -2.24 -1.26 -4.60 114.28 105.58 1i7t n THR 86 Ca -0.01 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 1i7t n THR 86 Cb 0.32 -0.91 -0.15 0.00 -2.10 0.00 0.00 70.33 67.49 1i7t n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i7t s LEU 87 N -2.60 2.60 0.27 3.22 1.43 -0.84 -4.99 118.68 117.77 1i7t s LEU 87 Ca 0.13 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1i7t s LEU 87 Cb 0.10 -1.62 0.37 0.00 0.03 0.00 0.00 46.19 45.07 1i7t s LEU 87 CO 0.23 0.03 1.72 0.77 0.23 0.00 0.00 176.35 179.32 1i7t h SER 88 N 7.73 0.56 -5.03 2.29 4.64 -1.84 -3.42 113.55 118.48 1i7t h SER 88 Ca -0.39 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 60.60 1i7t h SER 88 Cb 1.17 -0.15 -0.20 0.00 -0.31 0.00 0.00 62.40 62.91 1i7t h SER 88 CO 0.60 0.77 -0.60 0.00 -0.87 0.00 0.00 176.83 176.74 1i7t s GLN 89 N -4.57 0.45 -0.22 4.77 -2.07 -1.26 -5.10 119.66 111.66 1i7t s GLN 89 Ca -0.07 -0.64 -0.40 0.00 -1.82 0.00 0.00 55.36 52.42 1i7t s GLN 89 Cb 0.14 0.17 -0.17 0.00 -1.09 0.00 0.00 33.01 32.07 1i7t s GLN 89 CO 0.80 -0.10 1.61 -2.30 -1.32 0.00 0.00 175.29 173.98 1i7t n PRO 90 N 1.22 0.95 -2.95 9.60 -0.02 -1.26 -4.90 135.00 137.63 1i7t n PRO 90 Ca -0.22 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.21 1i7t n PRO 90 Cb 0.57 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1i7t n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1i7t s LYS 91 N 2.68 4.47 -0.15 -0.52 2.47 -0.34 -4.85 119.74 123.51 1i7t s LYS 91 Ca 0.96 1.04 0.01 0.00 -1.56 0.00 0.00 55.97 56.42 1i7t s LYS 91 Cb -1.11 -3.45 0.00 0.00 -1.46 0.00 0.00 37.83 31.81 1i7t s LYS 91 CO 0.64 0.04 -0.17 0.42 0.16 0.00 0.00 175.35 176.43 1i7t s ILE 92 N 0.84 2.51 -0.12 5.43 1.01 -1.26 -0.64 121.20 128.96 1i7t s ILE 92 Ca 0.42 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1i7t s ILE 92 Cb -0.19 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1i7t s ILE 92 CO 0.21 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.79 1i7t s VAL 93 N 0.83 2.44 0.27 2.92 1.01 0.22 -4.96 120.40 123.13 1i7t s VAL 93 Ca -0.05 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1i7t s VAL 93 Cb -0.15 -1.98 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 1i7t s VAL 93 CO -0.01 0.54 0.79 -0.54 0.00 0.00 0.00 175.10 175.88 1i7t s LYS 94 N 0.49 4.29 0.12 2.72 1.02 -1.26 -0.31 119.74 126.81 1i7t s LYS 94 Ca -0.13 0.96 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 1i7t s LYS 94 Cb -0.17 -2.76 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 1i7t s LYS 94 CO 0.05 0.31 0.90 -0.46 -0.92 0.00 0.00 175.35 175.23 1i7t s TRP 95 N -1.65 3.83 -0.18 3.18 -0.00 -0.08 -4.90 118.94 119.14 1i7t s TRP 95 Ca 0.47 1.73 -0.00 0.00 -0.00 0.00 0.00 56.10 58.30 1i7t s TRP 95 Cb -0.16 -2.97 0.04 0.00 -0.00 0.00 0.00 33.47 30.38 1i7t s TRP 95 CO 0.21 0.28 -0.05 0.34 -0.00 0.00 0.00 176.95 177.72 1i7t s ASP 96 N -0.26 2.96 0.00 5.86 -1.08 -1.26 -4.81 116.67 118.09 1i7t s ASP 96 Ca 0.43 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1i7t s ASP 96 Cb -0.23 -0.94 0.00 0.00 -1.46 0.00 0.00 42.92 40.29 1i7t s ASP 96 CO 0.28 -0.19 0.36 -2.11 0.52 0.00 0.00 175.17 174.03 1i7t n ARG 97 N 4.85 0.33 -0.11 4.34 1.85 -1.26 -1.45 116.66 125.20 1i7t n ARG 97 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1i7t n ARG 97 Cb 0.47 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 1i7t n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1i7t n ASP 98 N 0.94 0.00 0.00 2.89 8.00 -1.26 -4.83 116.55 122.29 1i7t n ASP 98 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1i7t n ASP 98 Cb 0.16 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1i7t n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04