#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 1.14 -3.53 2.02 5.41 -1.26 -4.99 119.36 118.15 1i7t n ILE 1 Ca 0.00 -0.29 -0.29 0.00 1.00 0.00 0.00 62.75 63.17 1i7t n ILE 1 Cb 0.00 -1.63 -0.13 0.00 -0.71 0.00 0.00 39.64 37.17 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 -0.68 0.50 -0.06 0.38 -0.21 -1.26 -4.26 119.66 114.08 1i7t s GLN 2 Ca 0.65 -1.10 -0.17 0.00 0.02 0.00 0.00 55.36 54.76 1i7t s GLN 2 Cb -0.59 -1.38 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 1i7t s GLN 2 CO 0.51 -1.13 0.45 1.03 -2.12 0.00 0.00 175.29 174.03 1i7t s ARG 3 N 1.39 4.16 -0.03 2.91 0.52 -0.07 -4.91 118.95 122.92 1i7t s ARG 3 Ca 0.14 0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 55.59 1i7t s ARG 3 Cb -0.20 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 1i7t s ARG 3 CO -0.13 0.42 0.60 -0.08 0.02 0.00 0.00 175.30 176.12 1i7t s THR 4 N -0.21 4.97 0.27 0.02 -1.32 -1.26 -0.90 115.64 117.21 1i7t s THR 4 Ca 0.25 1.25 -0.30 0.00 -1.21 0.00 0.00 61.69 61.67 1i7t s THR 4 Cb -0.16 -3.94 -0.11 0.00 -1.51 0.00 0.00 72.50 66.78 1i7t s THR 4 CO 0.12 0.37 1.59 -2.16 -2.21 0.00 0.00 174.62 172.33 1i7t s PRO 5 N 0.12 4.14 -0.09 7.08 0.04 -1.26 -4.39 135.00 140.65 1i7t s PRO 5 Ca 0.32 2.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.71 1i7t s PRO 5 Cb -0.18 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1i7t s PRO 5 CO 0.16 -0.62 0.50 0.15 0.04 0.00 0.00 177.00 177.24 1i7t s LYS 6 N -0.18 4.31 -0.16 4.56 1.02 0.15 -4.84 119.74 124.60 1i7t s LYS 6 Ca 0.65 0.52 -0.03 0.00 0.02 0.00 0.00 55.97 57.12 1i7t s LYS 6 Cb -0.47 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1i7t s LYS 6 CO 0.44 0.23 -0.04 0.42 -0.92 0.00 0.00 175.35 175.48 1i7t s ILE 7 N 0.37 3.76 -0.12 2.17 1.01 -1.26 -0.99 121.20 126.14 1i7t s ILE 7 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 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 0.48 -0.02 -1.10 0.00 0.00 0.00 174.94 174.42 1i7t s GLN 8 N 0.52 1.00 -0.18 2.79 -0.21 0.16 -4.97 119.66 118.77 1i7t s GLN 8 Ca -0.04 -0.20 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 1i7t s GLN 8 Cb -0.14 -1.53 -0.01 0.00 1.00 0.00 0.00 33.01 32.32 1i7t s GLN 8 CO 0.03 -0.38 -0.08 0.54 -2.12 0.00 0.00 175.29 173.27 1i7t s VAL 9 N 1.82 3.20 0.31 1.09 0.11 -1.26 0.93 120.40 126.60 1i7t s VAL 9 Ca 0.03 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.41 1i7t s VAL 9 Cb -0.14 -2.41 0.04 0.00 -1.53 0.00 0.00 36.38 32.34 1i7t s VAL 9 CO -0.07 0.47 0.60 0.00 -3.33 0.00 0.00 175.10 172.77 1i7t n TYR 10 N 4.29 -1.97 -4.37 1.54 4.11 0.19 -4.53 117.16 116.41 1i7t n TYR 10 Ca -0.18 -1.58 -0.29 0.00 -0.00 0.00 0.00 57.90 55.85 1i7t n TYR 10 Cb 0.51 0.70 -0.12 0.00 -0.00 0.00 0.00 39.34 40.43 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 -2.69 3.51 0.08 9.48 1.04 -1.26 0.18 113.70 124.03 1i7t s SER 11 Ca 0.15 -0.73 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 1i7t s SER 11 Cb -0.03 -0.32 -0.16 0.00 0.10 0.00 0.00 66.02 65.60 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 3.66 -0.44 -6.25 4.02 2.43 -1.78 -3.44 114.38 112.59 1i7t h ARG 12 Ca -0.50 0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.14 1i7t h ARG 12 Cb 1.18 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.74 1i7t h ARG 12 CO 0.43 -0.29 -0.62 -1.01 -1.51 0.00 0.00 179.97 176.97 1i7t s HIS 13 N -6.12 2.88 0.33 2.20 3.76 -1.26 -5.07 115.29 112.00 1i7t s HIS 13 Ca -0.15 -0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.32 1i7t s HIS 13 Cb 0.05 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.29 1i7t s HIS 13 CO 0.64 0.55 1.47 -2.30 -0.85 0.00 0.00 174.74 174.25 1i7t n PRO 14 N -0.62 2.49 -2.00 8.40 -0.02 -1.26 -4.90 135.00 137.08 1i7t n PRO 14 Ca -0.08 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 1i7t n PRO 14 Cb 0.57 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 -0.63 3.44 -0.24 3.55 0.00 -1.26 -5.00 121.76 121.63 1i7t s ALA 15 Ca 0.59 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.87 1i7t s ALA 15 Cb -0.52 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.19 1i7t s ALA 15 CO 0.57 -0.82 0.27 -1.21 0.00 0.00 0.00 175.76 174.57 1i7t s GLU 16 N -2.02 0.26 -0.07 0.00 2.02 -1.26 -5.11 118.70 112.53 1i7t s GLU 16 Ca 0.52 0.18 -0.37 0.00 0.02 0.00 0.00 54.97 55.33 1i7t s GLU 16 Cb -0.41 -0.91 -0.14 0.00 0.10 0.00 0.00 34.13 32.76 1i7t s GLU 16 CO 0.55 -0.75 1.66 0.09 0.02 0.00 0.00 175.26 176.83 1i7t n ASN 17 N 5.33 2.64 0.00 -0.19 3.02 -1.26 -1.05 115.26 123.75 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 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 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 3.74 2.96 3.76 7.41 0.00 -0.74 -4.97 105.19 117.34 1i7t n GLY 18 Ca 0.22 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 0.51 1.61 1.02 -0.21 -4.93 119.74 122.45 1i7t s LYS 19 Ca 0.00 1.33 -0.22 0.00 0.02 0.00 0.00 55.97 57.10 1i7t s LYS 19 Cb 0.00 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1i7t s LYS 19 CO 0.00 0.53 1.23 0.45 -0.92 0.00 0.00 175.35 176.65 1i7t s SER 20 N -1.19 5.74 0.00 2.83 0.15 -1.26 -4.04 113.70 115.93 1i7t s SER 20 Ca 0.39 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.50 1i7t s SER 20 Cb -0.24 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1i7t s SER 20 CO 0.29 -1.22 0.00 -3.20 1.20 0.00 0.00 173.24 170.31 1i7t n ASN 21 N -0.82 0.00 -3.84 5.45 2.85 0.46 -5.00 115.26 114.35 1i7t n ASN 21 Ca 0.09 -0.93 -0.23 0.00 -0.11 0.00 0.00 54.58 53.40 1i7t n ASN 21 Cb 0.47 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.32 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 -6.85 0.87 -0.26 1.20 0.40 -1.26 -1.61 117.98 110.47 1i7t s PHE 22 Ca 0.00 -0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 55.85 1i7t s PHE 22 Cb 0.00 -0.85 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1i7t s PHE 22 CO 0.00 -0.32 0.51 -1.17 0.70 0.00 0.00 175.22 174.94 1i7t s LEU 23 N 1.54 4.06 0.13 -0.37 2.96 0.15 -1.95 118.68 125.19 1i7t s LEU 23 Ca -0.01 0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1i7t s LEU 23 Cb -0.13 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1i7t s LEU 23 CO -0.04 -0.27 0.08 0.20 -1.32 0.00 0.00 176.35 175.00 1i7t s ASN 24 N 1.51 5.36 -0.19 3.68 0.01 0.46 -2.02 114.94 123.75 1i7t s ASN 24 Ca 0.21 -0.14 -0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1i7t s ASN 24 Cb -0.16 -1.37 0.07 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 2.17 3.19 -0.14 0.00 5.04 0.26 -1.09 117.35 126.78 1i7t s TYR 26 Ca 0.04 -0.24 -0.04 0.00 -2.44 0.00 0.00 57.07 54.39 1i7t s TYR 26 Cb -0.16 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.74 1i7t s TYR 26 CO -0.14 -0.33 -0.03 0.14 -1.34 0.00 0.00 175.55 173.86 1i7t s VAL 27 N 1.69 4.01 0.16 3.14 -7.23 -1.03 -0.66 120.40 120.47 1i7t s VAL 27 Ca 0.06 -0.32 -0.09 0.00 -1.81 0.00 0.00 61.98 59.81 1i7t s VAL 27 Cb -0.17 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1i7t s VAL 27 CO 0.08 0.51 0.28 -0.94 -0.31 0.00 0.00 175.10 174.73 1i7t s SER 28 N 0.14 0.03 -0.34 4.85 1.04 -0.16 -2.01 113.70 117.26 1i7t s SER 28 Ca -0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1i7t s SER 28 Cb -0.13 0.43 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 0.50 3.95 7.32 0.00 -0.01 0.34 105.19 117.09 1i7t n GLY 29 Ca -0.08 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 3.04 -0.30 1.61 -0.71 -1.23 -4.27 117.98 114.42 1i7t s PHE 30 Ca 0.00 0.25 -0.16 0.00 -1.04 0.00 0.00 56.93 55.98 1i7t s PHE 30 Cb 0.00 -2.71 0.19 0.00 -1.21 0.00 0.00 43.02 39.29 1i7t s PHE 30 CO 0.00 -0.82 1.17 -1.58 -1.34 0.00 0.00 175.22 172.65 1i7t s HIS 31 N -2.83 -0.24 0.96 3.49 2.46 -0.08 -1.37 115.29 117.68 1i7t s HIS 31 Ca 0.55 0.47 -0.16 0.00 0.47 0.00 0.00 55.06 56.39 1i7t s HIS 31 Cb -0.10 0.15 0.25 0.00 -0.13 0.00 0.00 32.58 32.74 1i7t s HIS 31 CO 0.41 -0.12 0.67 -0.35 -2.47 0.00 0.00 174.74 172.88 1i7t n PRO 32 N 3.26 -3.41 0.13 2.88 -0.04 -1.26 -0.89 135.00 135.67 1i7t n PRO 32 Ca -0.18 -1.10 0.13 0.00 -0.04 0.00 0.00 63.50 62.31 1i7t n PRO 32 Cb 0.57 -1.25 0.30 0.00 -0.04 0.00 0.00 33.50 33.08 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 -2.77 0.00 -2.30 3.54 4.64 -1.98 -3.45 113.55 111.23 1i7t h SER 33 Ca -0.28 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.47 1i7t h SER 33 Cb 0.91 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1i7t h SER 33 CO 0.17 0.01 1.29 -0.62 -0.87 0.00 0.00 176.83 176.82 1i7t s ASP 34 N -4.96 6.20 -0.19 4.97 3.68 -1.26 -4.93 116.67 120.18 1i7t s ASP 34 Ca 0.09 2.42 -0.19 0.00 2.13 0.00 0.00 52.55 57.00 1i7t s ASP 34 Cb 0.10 -2.53 0.05 0.00 -1.45 0.00 0.00 42.92 39.10 1i7t s ASP 34 CO 0.64 -1.29 0.53 -0.51 0.13 0.00 0.00 175.17 174.67 1i7t s ILE 35 N 5.46 0.00 -0.21 4.11 2.07 -1.26 -4.72 121.20 126.65 1i7t s ILE 35 Ca 0.90 -0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 60.04 1i7t s ILE 35 Cb -0.39 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 1i7t s ILE 35 CO 0.39 -0.01 0.11 -1.61 -1.91 0.00 0.00 174.94 171.91 1i7t s GLU 36 N 0.22 4.02 -0.04 3.50 2.02 -0.09 -4.95 118.70 123.38 1i7t s GLU 36 Ca -0.01 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1i7t s GLU 36 Cb -0.04 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1i7t s GLU 36 CO 0.01 0.17 -0.02 0.08 0.02 0.00 0.00 175.26 175.52 1i7t s VAL 37 N 0.70 0.34 0.01 2.63 1.01 -1.26 -0.58 120.40 123.25 1i7t s VAL 37 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1i7t s VAL 37 Cb -0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1i7t s VAL 37 CO 0.02 0.18 -0.05 -1.81 0.00 0.00 0.00 175.10 173.44 1i7t s ASP 38 N 0.93 0.52 -0.16 3.32 1.01 -0.10 -4.99 116.67 117.21 1i7t s ASP 38 Ca -0.11 -0.20 -0.06 0.00 0.71 0.00 0.00 52.55 52.89 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 -0.03 0.03 -0.76 0.21 0.00 0.00 175.17 174.61 1i7t s LEU 39 N -0.50 3.63 -0.03 1.23 1.43 -1.26 -0.52 118.68 122.66 1i7t s LEU 39 Ca -0.02 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1i7t s LEU 39 Cb -0.04 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1i7t s LEU 39 CO -0.00 0.19 -0.19 -0.76 0.23 0.00 0.00 176.35 175.83 1i7t s LEU 40 N 0.24 2.49 -0.27 1.79 1.43 0.28 -0.96 118.68 123.67 1i7t s LEU 40 Ca 0.02 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1i7t s LEU 40 Cb -0.13 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1i7t s LEU 40 CO 0.01 0.33 -0.03 -0.75 0.23 0.00 0.00 176.35 176.14 1i7t s LYS 41 N -0.78 2.69 -1.59 1.70 2.20 -0.22 -0.83 119.74 122.91 1i7t s LYS 41 Ca 0.11 -1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 54.50 1i7t s LYS 41 Cb -0.10 -3.08 0.11 0.00 -1.51 0.00 0.00 37.83 33.25 1i7t s LYS 41 CO 0.01 -0.49 0.83 0.09 -0.36 0.00 0.00 175.35 175.43 1i7t n ASN 42 N 4.66 -3.57 0.00 1.43 3.02 0.20 -1.51 115.26 119.49 1i7t n ASN 42 Ca -0.15 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1i7t n ASN 42 Cb 0.46 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.59 2.72 3.78 7.41 0.00 -1.26 -5.02 105.19 111.23 1i7t n GLY 43 Ca 0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 4.37 0.29 1.61 2.12 -0.57 -4.96 118.70 121.57 1i7t s GLU 44 Ca 0.00 1.44 -0.29 0.00 0.36 0.00 0.00 54.97 56.48 1i7t s GLU 44 Cb 0.00 -2.67 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1i7t s GLU 44 CO 0.00 0.05 1.09 0.50 -0.54 0.00 0.00 175.26 176.37 1i7t s ARG 45 N -2.28 4.59 -0.11 4.30 3.52 -1.26 -1.06 118.95 126.64 1i7t s ARG 45 Ca 0.54 1.77 -0.16 0.00 -0.13 0.00 0.00 55.73 57.75 1i7t s ARG 45 Cb -0.21 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1i7t s ARG 45 CO 0.26 0.17 0.41 0.42 -0.81 0.00 0.00 175.30 175.76 1i7t s ILE 46 N -1.21 5.20 0.00 4.11 1.01 -0.14 -4.87 121.20 125.30 1i7t s ILE 46 Ca 0.46 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1i7t s ILE 46 Cb -0.31 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1i7t s ILE 46 CO 0.40 0.38 0.37 -0.62 0.00 0.00 0.00 174.94 175.47 1i7t n GLU 47 N 3.35 0.00 -1.68 2.79 1.02 -1.26 -4.49 120.64 120.37 1i7t n GLU 47 Ca -0.10 0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 57.25 1i7t n GLU 47 Cb 0.52 -1.08 -0.11 0.00 -0.02 0.00 0.00 31.44 30.75 1i7t n GLU 47 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1i7t s LYS 48 N -1.48 1.35 -0.09 3.49 2.36 -1.26 -4.83 119.74 119.28 1i7t s LYS 48 Ca 0.00 -0.57 -0.01 0.00 -2.55 0.00 0.00 55.97 52.84 1i7t s LYS 48 Cb 0.00 -5.02 0.03 0.00 -1.05 0.00 0.00 37.83 31.78 1i7t s LYS 48 CO 0.00 -5.33 -0.03 0.08 1.55 0.00 0.00 175.35 171.62 1i7t s VAL 49 N 16.27 0.62 0.45 4.02 1.01 -1.26 -4.63 120.40 136.88 1i7t s VAL 49 Ca 0.79 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1i7t s VAL 49 Cb -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1i7t s VAL 49 CO 0.18 0.30 0.47 -1.61 0.00 0.00 0.00 175.10 174.44 1i7t s GLU 50 N 1.87 2.56 -0.05 2.72 2.02 -0.97 -4.96 118.70 121.88 1i7t s GLU 50 Ca 0.05 -1.52 -0.10 0.00 0.02 0.00 0.00 54.97 53.42 1i7t s GLU 50 Cb -0.12 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.65 1i7t s GLU 50 CO -0.06 -0.33 0.25 -3.38 0.02 0.00 0.00 175.26 171.76 1i7t s HIS 51 N -2.49 -0.18 1.27 1.61 -3.43 -1.26 -1.79 115.29 109.02 1i7t s HIS 51 Ca 0.50 0.37 -0.16 0.00 -0.80 0.00 0.00 55.06 54.97 1i7t s HIS 51 Cb -0.05 0.06 0.32 0.00 -1.43 0.00 0.00 32.58 31.49 1i7t s HIS 51 CO 0.30 -0.25 0.99 -1.54 -2.00 0.00 0.00 174.74 172.23 1i7t s SER 52 N -0.67 0.12 0.14 7.38 1.04 -0.15 -4.93 113.70 116.64 1i7t s SER 52 Ca -0.08 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.40 1i7t s SER 52 Cb -0.04 -2.06 -0.07 0.00 0.10 0.00 0.00 66.02 63.95 1i7t s SER 52 CO 0.02 -4.71 0.95 -1.81 0.98 0.00 0.00 173.24 168.67 1i7t s ASP 53 N -2.57 7.53 -0.19 7.02 1.01 -1.26 -4.68 116.67 123.53 1i7t s ASP 53 Ca 0.69 1.82 -0.40 0.00 0.71 0.00 0.00 52.55 55.37 1i7t s ASP 53 Cb -0.23 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 40.95 1i7t s ASP 53 CO 0.64 -0.01 1.62 -0.11 0.21 0.00 0.00 175.17 177.52 1i7t n LEU 54 N 2.46 2.07 -3.91 1.23 7.94 -1.26 -4.91 117.00 120.62 1i7t n LEU 54 Ca 0.01 1.09 -0.09 0.00 -1.11 0.00 0.00 56.01 55.91 1i7t n LEU 54 Cb 0.49 -1.13 -0.07 0.00 0.53 0.00 0.00 43.42 43.23 1i7t n LEU 54 CO 0.51 -0.65 -0.03 -0.55 -1.11 0.00 0.00 177.39 175.56 1i7t s SER 55 N 2.64 0.05 0.24 1.96 0.15 -1.23 -5.04 113.70 112.46 1i7t s SER 55 Ca 0.95 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1i7t s SER 55 Cb -1.07 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 1i7t s SER 55 CO 0.62 -0.85 0.09 0.72 1.20 0.00 0.00 173.24 175.02 1i7t s PHE 56 N -3.93 1.42 0.09 3.44 -0.71 -1.26 -0.48 117.98 116.55 1i7t s PHE 56 Ca 0.13 -1.19 0.02 0.00 -1.04 0.00 0.00 56.93 54.84 1i7t s PHE 56 Cb 0.04 -0.81 0.02 0.00 -1.21 0.00 0.00 43.02 41.05 1i7t s PHE 56 CO -0.04 -0.37 0.13 -1.13 -1.34 0.00 0.00 175.22 172.47 1i7t n SER 57 N -0.40 0.42 -0.12 1.98 3.41 -0.75 -4.95 113.62 113.22 1i7t n SER 57 Ca -0.01 -1.26 0.15 0.00 -0.26 0.00 0.00 58.87 57.49 1i7t n SER 57 Cb 0.66 -0.06 0.52 0.00 -0.26 0.00 0.00 64.21 65.06 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 0.36 -0.56 4.33 1.57 -2.03 -1.59 116.57 118.65 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 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1i7t h LYS 58 CO 0.07 0.24 0.00 -0.40 -0.57 0.00 0.00 179.45 178.78 1i7t n ASP 59 N -4.46 2.83 0.00 0.86 5.68 -1.26 -4.92 116.55 115.27 1i7t n ASP 59 Ca 0.12 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1i7t n ASP 59 Cb 0.48 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 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 -2.44 2.11 7.02 -0.60 -5.00 117.44 119.12 1i7t n TRP 60 Ca 0.15 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.24 1i7t n TRP 60 Cb 0.53 -0.49 -0.04 0.00 -2.42 0.00 0.00 31.31 28.89 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 -2.74 6.92 0.84 -0.99 1.04 -1.26 -4.73 113.70 112.77 1i7t s SER 61 Ca 0.00 2.23 -0.12 0.00 0.48 0.00 0.00 55.95 58.54 1i7t s SER 61 Cb 0.00 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.62 1i7t s SER 61 CO 0.00 -0.39 1.20 -0.36 0.98 0.00 0.00 173.24 174.67 1i7t s PHE 62 N -1.37 2.55 -0.29 5.02 0.08 -0.47 -1.81 117.98 121.69 1i7t s PHE 62 Ca 0.52 0.59 -0.15 0.00 0.12 0.00 0.00 56.93 58.00 1i7t s PHE 62 Cb -0.29 -3.63 0.13 0.00 -0.57 0.00 0.00 43.02 38.66 1i7t s PHE 62 CO 0.37 -1.98 0.87 1.52 -0.10 0.00 0.00 175.22 175.89 1i7t s TYR 63 N -3.63 -0.82 0.10 0.36 -0.85 0.36 -0.83 117.35 112.04 1i7t s TYR 63 Ca 0.65 1.55 0.06 0.00 -0.52 0.00 0.00 57.07 58.81 1i7t s TYR 63 Cb -0.09 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 1i7t s TYR 63 CO 0.50 -0.41 -0.15 -0.51 -1.52 0.00 0.00 175.55 173.46 1i7t s LEU 64 N 1.87 2.34 -0.15 -3.49 1.43 -0.85 -3.55 118.68 116.28 1i7t s LEU 64 Ca -0.07 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1i7t s LEU 64 Cb -0.06 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 1i7t s LEU 64 CO -0.17 -0.10 -0.12 -0.22 0.23 0.00 0.00 176.35 175.97 1i7t s LEU 65 N -2.10 2.69 -0.25 1.79 2.96 -1.26 -2.48 118.68 120.04 1i7t s LEU 65 Ca 0.04 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1i7t s LEU 65 Cb -0.07 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 1i7t s LEU 65 CO 0.03 0.12 0.00 -0.31 -1.32 0.00 0.00 176.35 174.87 1i7t s TYR 66 N 0.64 3.04 0.30 5.38 1.51 -0.25 -0.98 117.35 126.98 1i7t s TYR 66 Ca -0.07 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.11 1i7t s TYR 66 Cb -0.15 -2.16 -0.06 0.00 -0.11 0.00 0.00 41.96 39.48 1i7t s TYR 66 CO 0.03 -0.54 0.08 1.52 -1.11 0.00 0.00 175.55 175.53 1i7t s TYR 67 N 1.49 1.77 -0.17 2.71 1.13 -0.74 -0.02 117.35 123.52 1i7t s TYR 67 Ca 0.05 -1.07 -0.30 0.00 -1.41 0.00 0.00 57.07 54.33 1i7t s TYR 67 Cb -0.15 -1.11 0.14 0.00 -1.10 0.00 0.00 41.96 39.73 1i7t s TYR 67 CO -0.01 -0.16 1.06 -0.08 -2.51 0.00 0.00 175.55 173.85 1i7t s THR 68 N -3.49 0.00 0.21 -3.49 -1.32 -0.86 -2.30 115.64 104.40 1i7t s THR 68 Ca 0.37 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.55 1i7t s THR 68 Cb 0.08 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.99 1i7t s THR 68 CO 0.15 0.00 0.95 -1.61 -2.21 0.00 0.00 174.62 171.90 1i7t s GLU 69 N -1.30 4.82 0.25 7.08 2.02 -1.26 0.30 118.70 130.61 1i7t s GLU 69 Ca 0.01 1.49 -0.22 0.00 0.02 0.00 0.00 54.97 56.27 1i7t s GLU 69 Cb -0.01 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.96 1i7t s GLU 69 CO -0.01 0.44 0.73 -0.59 0.02 0.00 0.00 175.26 175.85 1i7t s PHE 70 N -0.91 -0.23 -0.22 1.61 -0.71 -0.63 -4.83 117.98 112.06 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 -0.26 0.68 0.06 0.00 -1.21 0.00 0.00 43.02 42.30 1i7t s PHE 70 CO 0.32 -1.14 0.02 0.99 -1.34 0.00 0.00 175.22 174.06 1i7t s THR 71 N -3.83 0.85 0.57 -4.49 2.01 -1.26 -0.40 115.64 109.08 1i7t s THR 71 Ca 0.10 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 1i7t s THR 71 Cb -0.05 -1.31 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 1i7t s THR 71 CO 0.04 -0.22 0.67 -2.65 -0.69 0.00 0.00 174.62 171.76 1i7t n PRO 72 N 4.92 0.65 -3.86 4.92 -0.02 -1.26 -4.80 135.00 135.55 1i7t n PRO 72 Ca -0.09 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.53 1i7t n PRO 72 Cb 0.46 -1.83 -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 -1.64 0.07 0.09 3.45 2.01 -1.26 -1.79 115.64 116.58 1i7t s THR 73 Ca 0.70 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1i7t s THR 73 Cb -0.45 -0.42 -0.13 0.00 0.01 0.00 0.00 72.50 71.51 1i7t s THR 73 CO 0.52 -0.33 1.69 -0.08 -0.69 0.00 0.00 174.62 175.73 1i7t h GLU 74 N 4.42 -0.28 0.00 4.92 4.81 -1.95 -3.03 114.58 123.46 1i7t h GLU 74 Ca -0.30 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1i7t h GLU 74 Cb 1.19 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1i7t h GLU 74 CO 0.40 -0.19 -0.16 -0.22 -0.73 0.00 0.00 179.01 178.11 1i7t h LYS 75 N -0.29 0.00 -6.83 1.92 3.11 -2.02 -3.45 116.57 109.00 1i7t h LYS 75 Ca -0.00 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.36 1i7t h LYS 75 Cb 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 1i7t h LYS 75 CO -0.02 0.16 0.27 -0.51 -2.81 0.00 0.00 179.45 176.55 1i7t s ASP 76 N -6.15 7.16 -0.07 4.20 1.01 -1.15 -5.07 116.67 116.59 1i7t s ASP 76 Ca -0.02 1.67 0.03 0.00 0.71 0.00 0.00 52.55 54.95 1i7t s ASP 76 Cb 0.12 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1i7t s ASP 76 CO 0.60 -0.11 -0.18 -1.61 0.21 0.00 0.00 175.17 174.09 1i7t s GLU 77 N -2.31 2.23 0.14 8.23 2.02 -1.26 -4.77 118.70 122.98 1i7t s GLU 77 Ca 0.51 -0.63 0.11 0.00 0.02 0.00 0.00 54.97 54.98 1i7t s GLU 77 Cb -0.16 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1i7t s GLU 77 CO 0.21 0.12 -0.26 0.71 0.02 0.00 0.00 175.26 176.06 1i7t s TYR 78 N 0.43 2.29 0.22 1.61 2.02 -1.26 0.60 117.35 123.26 1i7t s TYR 78 Ca -0.14 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.02 1i7t s TYR 78 Cb -0.16 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1i7t s TYR 78 CO 0.05 0.35 0.50 0.00 -1.57 0.00 0.00 175.55 174.89 1i7t s ALA 79 N -1.13 -0.66 -0.14 3.71 0.00 -0.01 -0.79 121.76 122.73 1i7t s ALA 79 Ca 0.14 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1i7t s ALA 79 Cb -0.10 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1i7t s ALA 79 CO 0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 175.76 174.83 1i7t s ARG 81 N 0.68 3.54 0.05 0.00 3.52 0.32 -0.74 118.95 126.32 1i7t s ARG 81 Ca -0.08 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1i7t s ARG 81 Cb -0.16 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1i7t s ARG 81 CO 0.02 0.29 -0.10 0.08 -0.81 0.00 0.00 175.30 174.77 1i7t s VAL 82 N 0.22 0.78 0.01 7.11 1.01 0.07 -0.92 120.40 128.68 1i7t s VAL 82 Ca -0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1i7t s VAL 82 Cb -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1i7t s VAL 82 CO 0.03 -0.29 0.00 0.21 0.00 0.00 0.00 175.10 175.05 1i7t s ASN 83 N -1.59 0.09 0.28 3.32 2.47 0.25 -1.23 114.94 118.53 1i7t s ASN 83 Ca -0.06 -0.20 -0.19 0.00 0.42 0.00 0.00 52.86 52.83 1i7t s ASN 83 Cb -0.10 0.07 0.02 0.00 -1.45 0.00 0.00 41.25 39.79 1i7t s ASN 83 CO 0.01 -0.14 0.67 -2.28 -3.72 0.00 0.00 177.10 171.64 1i7t s HIS 84 N -0.66 -0.07 0.35 0.43 2.46 -1.26 -0.91 115.29 115.62 1i7t s HIS 84 Ca -0.07 -0.37 0.08 0.00 0.47 0.00 0.00 55.06 55.17 1i7t s HIS 84 Cb -0.05 0.61 0.67 0.00 -0.13 0.00 0.00 32.58 33.68 1i7t s HIS 84 CO -0.00 -1.20 1.85 -0.39 -2.47 0.00 0.00 174.74 172.53 1i7t h VAL 85 N 2.05 1.21 0.00 0.89 -1.51 -1.95 -2.14 116.25 114.80 1i7t h VAL 85 Ca -0.21 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 1i7t h VAL 85 Cb 1.25 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1i7t h VAL 85 CO 0.26 0.30 0.00 0.35 -1.23 0.00 0.00 177.57 177.25 1i7t n THR 86 N -4.21 0.75 -4.17 7.19 -2.24 -1.26 -4.58 114.28 105.75 1i7t n THR 86 Ca -0.01 0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.62 1i7t n THR 86 Cb 0.32 -0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 67.43 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 -2.65 2.66 0.25 3.22 1.43 -0.81 -4.99 118.68 117.79 1i7t s LEU 87 Ca 0.11 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1i7t s LEU 87 Cb 0.09 -1.64 0.30 0.00 0.03 0.00 0.00 46.19 44.96 1i7t s LEU 87 CO 0.20 0.03 1.68 0.77 0.23 0.00 0.00 176.35 179.26 1i7t h SER 88 N 7.73 0.63 -5.04 2.29 4.64 -1.84 -3.42 113.55 118.55 1i7t h SER 88 Ca -0.39 -0.22 -0.16 0.00 -0.47 0.00 0.00 61.79 60.56 1i7t h SER 88 Cb 1.17 -0.17 -0.20 0.00 -0.31 0.00 0.00 62.40 62.89 1i7t h SER 88 CO 0.60 0.85 -0.67 0.00 -0.87 0.00 0.00 176.83 176.74 1i7t s GLN 89 N -4.57 0.40 -0.17 4.77 -2.07 -1.26 -5.10 119.66 111.65 1i7t s GLN 89 Ca -0.08 -0.73 -0.40 0.00 -1.82 0.00 0.00 55.36 52.33 1i7t s GLN 89 Cb 0.13 0.14 -0.17 0.00 -1.09 0.00 0.00 33.01 32.03 1i7t s GLN 89 CO 0.81 -0.07 1.55 -2.30 -1.32 0.00 0.00 175.29 173.96 1i7t n PRO 90 N 1.24 0.91 -3.04 9.60 -0.02 -1.26 -4.90 135.00 137.53 1i7t n PRO 90 Ca -0.22 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 1i7t n PRO 90 Cb 0.56 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.26 4.42 -0.15 -0.52 2.47 -0.37 -4.86 119.74 123.00 1i7t s LYS 91 Ca 0.94 0.88 0.00 0.00 -1.56 0.00 0.00 55.97 56.24 1i7t s LYS 91 Cb -1.11 -3.46 -0.00 0.00 -1.46 0.00 0.00 37.83 31.80 1i7t s LYS 91 CO 0.61 0.03 -0.16 0.42 0.16 0.00 0.00 175.35 176.42 1i7t s ILE 92 N 0.91 2.64 -0.11 5.43 1.01 -1.26 -0.75 121.20 129.08 1i7t s ILE 92 Ca 0.37 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1i7t s ILE 92 Cb -0.18 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 1i7t s ILE 92 CO 0.18 0.52 -0.22 -0.69 0.00 0.00 0.00 174.94 174.72 1i7t s VAL 93 N 0.76 2.23 0.27 2.92 1.01 0.08 -4.97 120.40 122.70 1i7t s VAL 93 Ca -0.06 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1i7t s VAL 93 Cb -0.15 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1i7t s VAL 93 CO 0.01 0.55 0.74 -0.54 0.00 0.00 0.00 175.10 175.86 1i7t s LYS 94 N 0.36 4.14 0.13 2.72 1.02 -1.26 -0.32 119.74 126.53 1i7t s LYS 94 Ca -0.17 0.79 -0.28 0.00 0.02 0.00 0.00 55.97 56.32 1i7t s LYS 94 Cb -0.18 -2.67 -0.07 0.00 -0.52 0.00 0.00 37.83 34.40 1i7t s LYS 94 CO 0.08 0.28 0.89 -0.46 -0.92 0.00 0.00 175.35 175.22 1i7t s TRP 95 N -1.74 3.85 -0.18 3.18 -0.00 0.03 -4.90 118.94 119.18 1i7t s TRP 95 Ca 0.48 1.74 -0.01 0.00 -0.00 0.00 0.00 56.10 58.31 1i7t s TRP 95 Cb -0.14 -2.95 0.05 0.00 -0.00 0.00 0.00 33.47 30.43 1i7t s TRP 95 CO 0.19 0.32 -0.04 0.34 -0.00 0.00 0.00 176.95 177.76 1i7t s ASP 96 N -0.44 2.97 0.00 5.86 -1.08 -1.26 -4.81 116.67 117.91 1i7t s ASP 96 Ca 0.42 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 1i7t s ASP 96 Cb -0.23 -0.91 0.00 0.00 -1.46 0.00 0.00 42.92 40.32 1i7t s ASP 96 CO 0.28 -0.21 0.33 -2.11 0.52 0.00 0.00 175.17 173.99 1i7t n ARG 97 N 4.87 0.29 -0.18 4.34 1.85 -1.26 -1.36 116.66 125.21 1i7t n ARG 97 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1i7t n ARG 97 Cb 0.47 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 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 0.99 0.00 0.00 2.89 8.00 -1.26 -4.84 116.55 122.33 1i7t n ASP 98 Ca 0.00 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1i7t n ASP 98 Cb 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1i7t n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04