#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7h s LYS 3 N 0.00 4.41 -0.19 -0.52 1.02 -1.26 -0.62 119.74 122.59 1i7h s LYS 3 Ca 0.00 1.10 -0.01 0.00 0.02 0.00 0.00 55.97 57.08 1i7h s LYS 3 Cb 0.00 -2.83 0.05 0.00 -0.52 0.00 0.00 37.83 34.53 1i7h s LYS 3 CO 0.00 0.33 -0.04 0.42 -0.92 0.00 0.00 175.35 175.14 1i7h s ILE 4 N -1.58 1.11 -0.15 2.17 1.01 0.43 -0.62 121.20 123.57 1i7h s ILE 4 Ca 0.47 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 1i7h s ILE 4 Cb -0.17 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1i7h s ILE 4 CO 0.22 0.00 0.45 -0.69 0.00 0.00 0.00 174.94 174.93 1i7h s VAL 5 N 1.61 5.19 -0.27 2.92 1.01 -0.47 -0.71 120.40 129.68 1i7h s VAL 5 Ca -0.01 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1i7h s VAL 5 Cb -0.17 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1i7h s VAL 5 CO -0.07 0.29 0.10 -0.63 0.00 0.00 0.00 175.10 174.79 1i7h s ILE 6 N 0.91 4.47 0.68 2.22 -1.09 0.79 -0.09 121.20 129.08 1i7h s ILE 6 Ca 0.24 -0.23 -0.16 0.00 -2.23 0.00 0.00 60.65 58.27 1i7h s ILE 6 Cb -0.15 -3.15 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1i7h s ILE 6 CO 0.09 0.25 1.19 -0.76 -1.23 0.00 0.00 174.94 174.48 1i7h s LEU 7 N 1.62 3.43 0.06 2.97 1.43 -0.40 -1.05 118.68 126.74 1i7h s LEU 7 Ca 0.06 2.31 -0.36 0.00 -1.03 0.00 0.00 54.13 55.11 1i7h s LEU 7 Cb -0.16 -4.59 -0.16 0.00 0.03 0.00 0.00 46.19 41.32 1i7h s LEU 7 CO 0.05 -1.96 1.44 -2.65 0.23 0.00 0.00 176.35 173.46 1i7h n PRO 8 N -2.33 1.36 -4.14 1.29 -0.02 -1.26 -4.56 135.00 125.34 1i7h n PRO 8 Ca 0.13 0.49 -0.25 0.00 -2.02 0.00 0.00 63.50 61.86 1i7h n PRO 8 Cb 0.50 -2.17 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 1i7h n PRO 8 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1i7h s HIS 9 N 0.98 1.26 0.42 6.00 2.46 0.15 -4.88 115.29 121.68 1i7h s HIS 9 Ca 0.85 -0.53 0.22 0.00 0.47 0.00 0.00 55.06 56.07 1i7h s HIS 9 Cb -0.91 -1.04 1.19 0.00 -0.13 0.00 0.00 32.58 31.69 1i7h s HIS 9 CO 0.47 -0.37 1.75 1.96 -2.47 0.00 0.00 174.74 176.08 1i7h h GLN 10 N 7.66 0.30 0.00 2.88 4.20 -1.86 0.11 115.11 128.40 1i7h h GLN 10 Ca -0.30 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.04 1i7h h GLN 10 Cb 1.15 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 1i7h h GLN 10 CO 0.42 0.20 -2.15 -0.25 -0.67 0.00 0.00 178.83 176.38 1i7h n ASP 11 N -4.60 1.95 0.14 1.46 8.00 -1.26 -4.50 116.55 117.74 1i7h n ASP 11 Ca 0.27 0.34 0.10 0.00 0.71 0.00 0.00 54.79 56.21 1i7h n ASP 11 Cb 0.99 -0.80 0.06 0.00 -0.02 0.00 0.00 41.12 41.35 1i7h n ASP 11 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i7h h LEU 12 N -1.00 0.00 -5.00 0.64 3.38 -1.95 -3.43 115.31 107.95 1i7h h LEU 12 Ca -0.53 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.25 1i7h h LEU 12 Cb 1.46 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.07 1i7h h LEU 12 CO -0.32 0.10 -0.43 0.00 0.09 0.00 0.00 178.44 177.88 1i7h h PRO 14 N 3.88 0.05 -0.10 0.00 0.11 -1.07 0.49 132.00 135.37 1i7h h PRO 14 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1i7h h PRO 14 Cb 1.06 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1i7h h PRO 14 CO 0.26 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 177.83 1i7h n ASP 15 N -5.44 2.81 0.00 -2.05 10.43 -1.26 -4.23 116.55 116.81 1i7h n ASP 15 Ca 0.20 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.65 1i7h n ASP 15 Cb 0.67 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.58 1i7h n ASP 15 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i7h n GLY 16 N 1.34 -1.05 3.48 0.44 0.00 0.01 -4.65 105.19 104.77 1i7h n GLY 16 Ca 0.16 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1i7h n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7h s ALA 17 N -1.24 -1.71 -0.20 4.61 0.00 -0.22 -4.91 121.76 118.10 1i7h s ALA 17 Ca 0.00 0.97 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1i7h s ALA 17 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1i7h s ALA 17 CO 0.00 -0.55 -0.12 0.08 0.00 0.00 0.00 175.76 175.18 1i7h s VAL 18 N -2.34 2.77 0.18 0.00 1.01 -1.26 -0.15 120.40 120.61 1i7h s VAL 18 Ca -0.05 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.34 1i7h s VAL 18 Cb -0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1i7h s VAL 18 CO -0.01 0.48 -0.25 -0.76 0.00 0.00 0.00 175.10 174.56 1i7h s LEU 19 N 1.37 2.41 -0.33 3.92 1.43 0.11 -4.96 118.68 122.63 1i7h s LEU 19 Ca 0.05 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 52.21 1i7h s LEU 19 Cb -0.14 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1i7h s LEU 19 CO -0.07 0.13 0.18 -1.61 0.23 0.00 0.00 176.35 175.21 1i7h s GLU 20 N -2.52 3.21 0.30 1.70 0.41 -1.26 -0.42 118.70 120.11 1i7h s GLU 20 Ca 0.19 -0.81 0.07 0.00 -0.41 0.00 0.00 54.97 54.01 1i7h s GLU 20 Cb -0.08 -3.64 -0.03 0.00 -1.78 0.00 0.00 34.13 28.60 1i7h s GLU 20 CO 0.09 -0.50 0.30 0.00 -0.49 0.00 0.00 175.26 174.66 1i7h s ALA 21 N 1.61 3.83 -0.11 5.21 0.00 0.21 -4.97 121.76 127.54 1i7h s ALA 21 Ca 0.04 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 1i7h s ALA 21 Cb -0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1i7h s ALA 21 CO 0.07 0.11 0.02 -0.80 0.00 0.00 0.00 175.76 175.15 1i7h s ASN 22 N -3.97 5.36 0.23 0.00 0.01 -1.26 -1.61 114.94 113.70 1i7h s ASN 22 Ca 0.38 0.14 -0.31 0.00 -0.71 0.00 0.00 52.86 52.35 1i7h s ASN 22 Cb -0.07 -1.64 -0.14 0.00 0.41 0.00 0.00 41.25 39.81 1i7h s ASN 22 CO 0.27 0.33 1.40 -1.20 -1.51 0.00 0.00 177.10 176.38 1i7h n SER 23 N 2.49 2.67 0.00 -1.22 7.64 -1.26 -0.97 113.62 122.97 1i7h n SER 23 Ca -0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1i7h n SER 23 Cb 0.53 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1i7h n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7h n GLY 24 N 2.17 3.11 3.84 0.23 0.00 0.24 -4.99 105.19 109.80 1i7h n GLY 24 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1i7h n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i7h s GLU 25 N -0.55 4.03 0.60 1.61 2.12 -0.14 -4.69 118.70 121.68 1i7h s GLU 25 Ca 0.00 0.98 -0.11 0.00 0.36 0.00 0.00 54.97 56.20 1i7h s GLU 25 Cb 0.00 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 1i7h s GLU 25 CO 0.00 -0.18 1.01 0.95 -0.54 0.00 0.00 175.26 176.49 1i7h s THR 26 N -2.47 4.71 0.16 -1.70 -4.23 -1.26 -0.46 115.64 110.39 1i7h s THR 26 Ca 0.59 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.83 1i7h s THR 26 Cb -0.10 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1i7h s THR 26 CO 0.26 -1.09 1.67 0.40 -0.54 0.00 0.00 174.62 175.32 1i7h h ILE 27 N -0.18 1.24 -0.45 2.99 2.04 -1.06 -2.35 117.51 119.73 1i7h h ILE 27 Ca -0.44 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1i7h h ILE 27 Cb 1.19 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1i7h h ILE 27 CO 0.62 0.31 0.29 0.25 0.00 0.00 0.00 178.15 179.61 1i7h h LEU 28 N 0.75 0.53 -0.59 1.44 5.85 -1.36 -1.61 115.31 120.33 1i7h h LEU 28 Ca 0.17 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1i7h h LEU 28 Cb 0.32 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1i7h h LEU 28 CO -0.00 0.40 0.35 0.44 -0.34 0.00 0.00 178.44 179.29 1i7h h ASP 29 N 0.60 0.71 -0.85 1.25 3.32 -1.76 0.72 116.42 120.41 1i7h h ASP 29 Ca 0.16 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1i7h h ASP 29 Cb -0.04 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1i7h h ASP 29 CO -0.03 0.56 0.40 0.00 -1.72 0.00 0.00 179.24 178.44 1i7h h ALA 30 N 1.18 1.10 0.08 3.45 0.00 -1.23 -2.04 119.26 121.80 1i7h h ALA 30 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i7h h ALA 30 Cb -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1i7h h ALA 30 CO -0.04 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1i7h h ALA 31 N 1.22 -0.11 -0.98 0.00 0.00 -0.76 -2.99 119.26 115.63 1i7h h ALA 31 Ca 0.29 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1i7h h ALA 31 Cb 0.13 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1i7h h ALA 31 CO -0.03 -0.41 0.63 -0.07 0.00 0.00 0.00 179.25 179.36 1i7h h LEU 32 N -0.42 0.94 -1.45 0.00 3.38 -0.78 -1.17 115.31 115.81 1i7h h LEU 32 Ca -0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1i7h h LEU 32 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1i7h h LEU 32 CO 0.02 0.54 0.38 0.03 0.09 0.00 0.00 178.44 179.50 1i7h h ARG 33 N 1.03 0.72 -0.64 1.13 3.08 -1.30 -2.76 114.38 115.63 1i7h h ARG 33 Ca 0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1i7h h ARG 33 Cb 0.37 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1i7h h ARG 33 CO -0.22 0.48 0.00 0.09 -1.07 0.00 0.00 179.97 179.25 1i7h n ASN 34 N -4.46 4.37 0.00 7.04 3.02 -0.53 -4.94 115.26 119.76 1i7h n ASN 34 Ca 0.06 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1i7h n ASN 34 Cb 0.07 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1i7h n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i7h n GLY 35 N 1.02 0.88 3.45 7.41 0.00 -1.04 -5.00 105.19 111.92 1i7h n GLY 35 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1i7h n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i7h s ILE 36 N -3.08 4.46 -1.28 -0.61 1.09 -0.68 -4.95 121.20 116.15 1i7h s ILE 36 Ca 0.00 -0.82 -0.17 0.00 -1.10 0.00 0.00 60.65 58.56 1i7h s ILE 36 Cb 0.00 -4.73 -0.00 0.00 -1.06 0.00 0.00 42.46 36.67 1i7h s ILE 36 CO 0.00 -1.49 2.08 -0.62 -0.10 0.00 0.00 174.94 174.81 1i7h n GLU 37 N 7.31 2.56 -2.22 2.79 -0.58 -1.26 -3.53 120.64 125.71 1i7h n GLU 37 Ca 0.07 -2.54 -0.41 0.00 -0.42 0.00 0.00 57.16 53.87 1i7h n GLU 37 Cb 0.47 -3.26 -0.03 0.00 -0.57 0.00 0.00 31.44 28.05 1i7h n GLU 37 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1i7h s ILE 38 N 4.11 3.01 0.38 -3.67 1.01 -1.26 -4.97 121.20 119.82 1i7h s ILE 38 Ca 0.51 0.96 -0.26 0.00 0.00 0.00 0.00 60.65 61.86 1i7h s ILE 38 Cb 0.12 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 1i7h s ILE 38 CO -0.01 0.21 1.20 -0.70 0.00 0.00 0.00 174.94 175.64 1i7h s GLU 39 N -1.25 4.11 -0.42 2.79 2.12 -1.25 -4.98 118.70 119.82 1i7h s GLU 39 Ca 0.50 1.93 0.07 0.00 0.36 0.00 0.00 54.97 57.83 1i7h s GLU 39 Cb -0.37 -2.77 0.24 0.00 0.26 0.00 0.00 34.13 31.48 1i7h s GLU 39 CO 0.46 -0.29 0.58 -2.39 -0.54 0.00 0.00 175.26 173.08 1i7h n HIS 40 N 0.25 -1.13 0.05 5.30 1.44 -1.26 -2.45 115.22 117.42 1i7h n HIS 40 Ca 0.03 -3.11 -0.12 0.00 -2.01 0.00 0.00 57.72 52.52 1i7h n HIS 40 Cb 0.45 0.15 -0.05 0.00 0.12 0.00 0.00 29.99 30.67 1i7h n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1i7h h ALA 41 N 4.20 -0.44 0.00 1.59 0.00 -1.94 -2.55 119.26 120.11 1i7h h ALA 41 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i7h h ALA 41 Cb 0.92 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1i7h h ALA 41 CO 0.41 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1i7h n GLU 43 N 0.04 -6.83 -3.51 0.00 1.02 -0.96 -2.78 120.64 107.61 1i7h n GLU 43 Ca 0.00 0.75 -0.20 0.00 -0.02 0.00 0.00 57.16 57.70 1i7h n GLU 43 Cb 0.24 -5.71 0.08 0.00 -0.02 0.00 0.00 31.44 26.03 1i7h n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i7h n LYS 44 N -4.71 -6.90 -0.17 3.49 5.02 -1.26 -4.92 118.16 108.71 1i7h n LYS 44 Ca -0.06 0.82 0.05 0.00 -2.02 0.00 0.00 58.31 57.10 1i7h n LYS 44 Cb 0.58 -5.82 0.13 0.00 -0.02 0.00 0.00 35.03 29.91 1i7h n LYS 44 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1i7h n SER 45 N -3.08 2.81 -3.21 4.39 7.64 -1.12 -4.97 113.62 116.08 1i7h n SER 45 Ca -0.19 -2.40 -0.23 0.00 1.01 0.00 0.00 58.87 57.06 1i7h n SER 45 Cb 0.63 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1i7h n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i7h n ALA 47 N -3.91 1.97 -3.00 0.00 0.00 -1.26 -4.86 120.51 109.45 1i7h n ALA 47 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.08 1i7h n ALA 47 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1i7h n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i7h n THR 49 N 0.00 0.27 0.39 0.00 -2.24 -1.26 -4.84 114.28 106.60 1i7h n THR 49 Ca 0.00 -0.31 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1i7h n THR 49 Cb 0.00 0.56 0.48 0.00 -2.10 0.00 0.00 70.33 69.27 1i7h n THR 49 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1i7h h THR 50 N 4.71 0.00 -0.64 4.28 1.35 -1.84 -2.67 112.91 118.10 1i7h h THR 50 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1i7h h THR 50 Cb 1.19 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1i7h h THR 50 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1i7h n HIS 52 N 1.31 2.06 -3.85 0.00 -0.00 -1.01 -1.82 115.22 111.91 1i7h n HIS 52 Ca 0.22 0.51 -0.09 0.00 0.46 0.00 0.00 57.72 58.82 1i7h n HIS 52 Cb 0.61 -2.41 -0.06 0.00 -0.12 0.00 0.00 29.99 28.01 1i7h n HIS 52 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i7h s ILE 54 N -3.90 2.04 -0.89 0.00 1.01 -0.26 -0.82 121.20 118.39 1i7h s ILE 54 Ca 0.10 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1i7h s ILE 54 Cb 0.03 -1.83 0.12 0.00 0.01 0.00 0.00 42.46 40.78 1i7h s ILE 54 CO -0.06 0.54 1.12 -0.69 0.00 0.00 0.00 174.94 175.85 1i7h s VAL 55 N 1.16 4.61 0.40 2.92 1.01 -0.48 -0.85 120.40 129.17 1i7h s VAL 55 Ca 0.01 -1.32 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1i7h s VAL 55 Cb -0.14 -4.78 0.23 0.00 0.00 0.00 0.00 36.38 31.69 1i7h s VAL 55 CO -0.10 -1.52 2.00 0.03 0.00 0.00 0.00 175.10 175.51 1i7h h ARG 56 N 9.02 0.44 -3.55 2.72 2.47 -1.23 -3.38 114.38 120.87 1i7h h ARG 56 Ca 0.08 -0.05 -0.25 0.00 -1.26 0.00 0.00 59.98 58.50 1i7h h ARG 56 Cb 1.03 -0.09 -0.30 0.00 -1.65 0.00 0.00 29.97 28.96 1i7h h ARG 56 CO 1.14 0.37 -0.68 -1.21 0.56 0.00 0.00 179.97 180.15 1i7h s GLU 57 N -5.22 0.02 0.00 0.04 0.41 -1.04 -4.86 118.70 108.05 1i7h s GLU 57 Ca -0.07 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.62 1i7h s GLU 57 Cb 0.17 -0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.42 1i7h s GLU 57 CO 0.73 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 1i7h n GLY 58 N 3.58 0.78 0.26 -1.39 0.00 -1.26 -1.85 105.19 105.31 1i7h n GLY 58 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1i7h n GLY 58 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i7h h PHE 59 N 0.00 0.57 0.00 1.61 3.57 -1.89 -1.34 116.94 119.46 1i7h h PHE 59 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1i7h h PHE 59 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1i7h h PHE 59 CO 0.00 0.19 0.00 -0.25 -2.23 0.00 0.00 178.31 176.02 1i7h n ASP 60 N -4.90 0.49 0.04 0.41 8.00 -1.26 -2.01 116.55 117.32 1i7h n ASP 60 Ca 0.11 0.68 0.13 0.00 0.71 0.00 0.00 54.79 56.41 1i7h n ASP 60 Cb 0.28 -0.76 0.35 0.00 -0.02 0.00 0.00 41.12 40.97 1i7h n ASP 60 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i7h n SER 61 N -2.11 0.51 -4.86 -2.24 3.41 -0.50 -4.90 113.62 102.93 1i7h n SER 61 Ca 0.00 0.24 -0.33 0.00 -0.26 0.00 0.00 58.87 58.52 1i7h n SER 61 Cb 0.11 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1i7h n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i7h s LEU 62 N -3.71 4.21 0.22 1.04 1.43 -0.85 -4.47 118.68 116.54 1i7h s LEU 62 Ca 0.10 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.95 1i7h s LEU 62 Cb 0.15 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.63 1i7h s LEU 62 CO 0.64 -0.04 1.61 -2.84 0.23 0.00 0.00 176.35 175.95 1i7h s PRO 63 N -2.56 4.17 0.40 1.29 0.02 -1.26 -4.88 135.00 132.19 1i7h s PRO 63 Ca 0.46 2.49 -0.22 0.00 0.02 0.00 0.00 61.00 63.74 1i7h s PRO 63 Cb -0.12 -3.09 -0.14 0.00 0.02 0.00 0.00 34.50 31.17 1i7h s PRO 63 CO 0.20 -0.64 0.40 -1.91 -0.33 0.00 0.00 177.00 174.72 1i7h n GLU 64 N 3.35 0.36 -2.43 5.54 2.13 -1.26 -4.78 120.64 123.54 1i7h n GLU 64 Ca 0.12 0.13 -0.37 0.00 0.66 0.00 0.00 57.16 57.70 1i7h n GLU 64 Cb 0.37 -1.32 -0.03 0.00 0.27 0.00 0.00 31.44 30.73 1i7h n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1i7h s SER 65 N -0.97 6.67 0.73 4.31 1.04 -1.26 -5.03 113.70 119.19 1i7h s SER 65 Ca 0.62 2.18 -0.12 0.00 0.48 0.00 0.00 55.95 59.11 1i7h s SER 65 Cb -0.63 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 62.92 1i7h s SER 65 CO 0.59 -0.56 1.10 -0.94 0.98 0.00 0.00 173.24 174.42 1i7h s SER 66 N -1.35 5.23 0.35 7.02 1.04 -1.26 -4.86 113.70 119.87 1i7h s SER 66 Ca 0.57 1.12 0.03 0.00 0.48 0.00 0.00 55.95 58.15 1i7h s SER 66 Cb -0.26 -1.88 0.66 0.00 0.10 0.00 0.00 66.02 64.64 1i7h s SER 66 CO 0.33 -1.48 1.99 1.05 0.98 0.00 0.00 173.24 176.11 1i7h h GLU 67 N -0.75 0.81 -0.65 4.02 9.09 -1.99 -0.71 114.58 124.41 1i7h h GLU 67 Ca -0.45 -0.05 -0.05 0.00 0.05 0.00 0.00 59.36 58.86 1i7h h GLU 67 Cb 1.26 -0.18 -0.03 0.00 -1.65 0.00 0.00 28.75 28.15 1i7h h GLU 67 CO 0.63 0.54 0.23 0.37 0.05 0.00 0.00 179.01 180.83 1i7h h GLN 68 N 0.84 0.99 -0.38 1.06 4.15 -1.98 -1.61 115.11 118.18 1i7h h GLN 68 Ca 0.27 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1i7h h GLN 68 Cb 0.03 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1i7h h GLN 68 CO -0.07 0.85 -0.05 1.49 -1.93 0.00 0.00 178.83 179.12 1i7h h GLU 69 N 0.93 0.70 -0.76 1.69 4.81 -1.60 -2.93 114.58 117.41 1i7h h GLU 69 Ca 0.21 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1i7h h GLU 69 Cb 0.26 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1i7h h GLU 69 CO -0.01 0.83 0.51 -0.44 -0.73 0.00 0.00 179.01 179.17 1i7h h ASP 70 N 0.51 0.86 -0.23 1.04 3.32 -0.92 0.32 116.42 121.32 1i7h h ASP 70 Ca 0.10 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1i7h h ASP 70 Cb 0.55 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1i7h h ASP 70 CO 0.03 0.62 -0.07 0.44 -1.72 0.00 0.00 179.24 178.53 1i7h h ASP 71 N 1.01 0.57 -0.06 6.45 3.32 -1.15 -2.33 116.42 124.22 1i7h h ASP 71 Ca 0.29 -0.14 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 1i7h h ASP 71 Cb -0.08 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.33 1i7h h ASP 71 CO -0.07 0.69 -0.66 0.24 -1.72 0.00 0.00 179.24 177.72 1i7h h MET 72 N 0.55 0.55 -0.30 3.56 2.86 -1.15 -3.22 114.93 117.77 1i7h h MET 72 Ca 0.11 -0.51 0.06 0.00 -2.06 0.00 0.00 59.70 57.29 1i7h h MET 72 Cb 0.46 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1i7h h MET 72 CO 0.02 1.14 0.21 -0.07 1.06 0.00 0.00 176.91 179.27 1i7h h LEU 73 N 0.14 0.13 -2.53 1.22 3.38 -0.77 0.20 115.31 117.08 1i7h h LEU 73 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i7h h LEU 73 Cb 1.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1i7h h LEU 73 CO 0.13 0.08 0.00 0.44 0.09 0.00 0.00 178.44 179.19 1i7h h ASP 74 N 0.15 0.00 -0.02 -0.43 3.32 -1.43 -0.72 116.42 117.28 1i7h h ASP 74 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1i7h h ASP 74 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1i7h h ASP 74 CO -0.02 0.00 -0.21 0.29 -1.72 0.00 0.00 179.24 177.58 1i7h n LYS 75 N -3.03 1.84 -2.67 3.56 5.02 0.70 -4.98 118.16 118.60 1i7h n LYS 75 Ca -0.02 -1.52 -0.34 0.00 -2.02 0.00 0.00 58.31 54.40 1i7h n LYS 75 Cb 0.13 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1i7h n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i7h s ALA 76 N -2.21 3.01 0.15 7.82 0.00 -0.28 -4.91 121.76 125.34 1i7h s ALA 76 Ca 0.24 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.48 1i7h s ALA 76 Cb 0.19 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1i7h s ALA 76 CO 0.42 -0.09 0.81 -0.46 0.00 0.00 0.00 175.76 176.44 1i7h s TRP 77 N -1.95 3.89 -1.08 0.00 -0.00 -1.26 -3.82 118.94 114.72 1i7h s TRP 77 Ca 0.62 1.65 -0.02 0.00 -0.00 0.00 0.00 56.10 58.36 1i7h s TRP 77 Cb -0.15 -2.82 0.00 0.00 -0.00 0.00 0.00 33.47 30.50 1i7h s TRP 77 CO 0.19 0.45 0.22 0.41 -0.00 0.00 0.00 176.95 178.22 1i7h n GLY 78 N 1.74 -0.14 3.75 5.86 0.00 -1.26 -4.92 105.19 110.22 1i7h n GLY 78 Ca -0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1i7h n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i7h n LEU 79 N -2.36 4.37 -4.21 0.99 7.94 -1.25 -5.02 117.00 117.47 1i7h n LEU 79 Ca -0.11 1.18 -0.12 0.00 -1.11 0.00 0.00 56.01 55.85 1i7h n LEU 79 Cb 0.60 -1.58 -0.10 0.00 0.53 0.00 0.00 43.42 42.86 1i7h n LEU 79 CO 0.25 0.07 -0.35 -1.61 -1.11 0.00 0.00 177.39 174.64 1i7h s GLU 80 N -1.16 0.98 0.39 1.96 2.02 -1.26 -5.03 118.70 116.59 1i7h s GLU 80 Ca 0.60 -1.44 0.11 0.00 0.02 0.00 0.00 54.97 54.25 1i7h s GLU 80 Cb -0.50 -0.22 0.89 0.00 0.10 0.00 0.00 34.13 34.39 1i7h s GLU 80 CO 0.55 -0.08 1.92 -1.35 0.02 0.00 0.00 175.26 176.31 1i7h h PRO 81 N 2.82 0.58 -0.42 0.39 0.11 -2.02 -0.54 132.00 132.93 1i7h h PRO 81 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1i7h h PRO 81 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1i7h h PRO 81 CO 0.63 0.38 0.00 0.39 -0.21 0.00 0.00 178.00 179.20 1i7h n GLU 82 N -4.51 1.98 -2.24 1.05 1.02 -1.26 -4.94 120.64 111.75 1i7h n GLU 82 Ca 0.14 -1.31 -0.39 0.00 -0.02 0.00 0.00 57.16 55.57 1i7h n GLU 82 Cb 0.42 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 1i7h n GLU 82 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1i7h s SER 83 N -0.90 6.65 0.06 1.62 0.01 -0.21 -1.38 113.70 119.55 1i7h s SER 83 Ca 0.24 2.47 -0.10 0.00 1.31 0.00 0.00 55.95 59.87 1i7h s SER 83 Cb 0.14 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.74 1i7h s SER 83 CO 0.15 -0.59 0.22 -0.13 0.41 0.00 0.00 173.24 173.29 1i7h s ARG 84 N -2.04 0.78 -0.42 12.44 1.81 0.00 -4.93 118.95 126.59 1i7h s ARG 84 Ca 0.53 -0.74 -0.20 0.00 -1.72 0.00 0.00 55.73 53.60 1i7h s ARG 84 Cb -0.34 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1i7h s ARG 84 CO 0.44 -0.24 0.61 -0.51 -0.68 0.00 0.00 175.30 174.92 1i7h s LEU 85 N -2.40 4.51 0.62 2.53 1.43 -1.26 -1.31 118.68 122.80 1i7h s LEU 85 Ca -0.01 -0.31 0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1i7h s LEU 85 Cb 0.01 -2.69 1.42 0.00 0.03 0.00 0.00 46.19 44.97 1i7h s LEU 85 CO -0.07 -0.72 1.83 0.77 0.23 0.00 0.00 176.35 178.39 1i7h h SER 86 N 8.80 0.00 0.80 2.29 4.64 -1.69 0.47 113.55 128.86 1i7h h SER 86 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1i7h h SER 86 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1i7h h SER 86 CO 0.87 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.74 1i7h n GLN 88 N -1.42 1.87 -2.42 0.00 1.13 0.15 -4.95 117.38 111.74 1i7h n GLN 88 Ca 0.09 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 1i7h n GLN 88 Cb 0.32 -1.19 -0.03 0.00 0.11 0.00 0.00 30.24 29.45 1i7h n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i7h s ALA 89 N -2.31 3.49 -0.17 -1.58 0.00 -0.51 -4.99 121.76 115.69 1i7h s ALA 89 Ca -0.03 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1i7h s ALA 89 Cb 0.03 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1i7h s ALA 89 CO 0.31 -0.74 -0.08 1.03 0.00 0.00 0.00 175.76 176.28 1i7h s ARG 90 N 2.10 3.43 0.28 0.00 0.52 -1.26 -1.51 118.95 122.51 1i7h s ARG 90 Ca 0.57 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 1i7h s ARG 90 Cb -0.26 -2.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.29 1i7h s ARG 90 CO 0.23 0.07 1.38 0.08 0.02 0.00 0.00 175.30 177.09 1i7h s VAL 91 N 0.77 2.71 0.00 3.52 1.01 0.40 -4.10 120.40 124.70 1i7h s VAL 91 Ca -0.03 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1i7h s VAL 91 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1i7h s VAL 91 CO 0.02 0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.58 1i7h n THR 92 N 1.77 0.00 -1.77 3.92 -2.24 -1.26 0.83 114.28 115.52 1i7h n THR 92 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1i7h n THR 92 Cb 0.41 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.80 1i7h n THR 92 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1i7h n ASP 93 N 0.00 2.24 -3.89 3.42 5.68 -1.26 -4.34 116.55 118.40 1i7h n ASP 93 Ca 0.00 -3.69 -0.13 0.00 -0.50 0.00 0.00 54.79 50.47 1i7h n ASP 93 Cb 0.00 -0.48 -0.14 0.00 -1.14 0.00 0.00 41.12 39.36 1i7h n ASP 93 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1i7h s GLU 94 N -3.06 0.10 0.63 0.11 2.12 -1.26 -5.00 118.70 112.34 1i7h s GLU 94 Ca 0.40 -0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.51 1i7h s GLU 94 Cb 0.38 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 1i7h s GLU 94 CO -0.06 0.02 1.18 -0.51 -0.54 0.00 0.00 175.26 175.35 1i7h s ASP 95 N -0.05 5.03 0.26 -1.70 1.01 -1.26 -4.71 116.67 115.25 1i7h s ASP 95 Ca 0.00 2.27 0.06 0.00 0.71 0.00 0.00 52.55 55.59 1i7h s ASP 95 Cb -0.01 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1i7h s ASP 95 CO -0.00 -1.70 -0.06 -0.76 0.21 0.00 0.00 175.17 172.87 1i7h s LEU 96 N -4.43 2.44 -0.09 1.23 1.43 0.21 -4.40 118.68 115.06 1i7h s LEU 96 Ca 0.74 -1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1i7h s LEU 96 Cb -0.27 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.41 1i7h s LEU 96 CO 0.37 -0.36 -0.06 -0.69 0.23 0.00 0.00 176.35 175.84 1i7h s VAL 97 N -3.09 0.83 -0.04 -1.59 1.01 -0.77 -1.37 120.40 115.37 1i7h s VAL 97 Ca 0.28 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1i7h s VAL 97 Cb 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1i7h s VAL 97 CO 0.11 0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1i7h s VAL 98 N 1.62 1.56 -0.09 2.92 1.01 0.87 -0.72 120.40 127.57 1i7h s VAL 98 Ca 0.02 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1i7h s VAL 98 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1i7h s VAL 98 CO -0.06 0.44 -0.16 -0.70 0.00 0.00 0.00 175.10 174.62 1i7h s GLU 99 N -0.13 2.96 -0.18 2.72 2.12 -0.03 -1.27 118.70 124.88 1i7h s GLU 99 Ca -0.01 -0.74 -0.14 0.00 0.36 0.00 0.00 54.97 54.44 1i7h s GLU 99 Cb -0.11 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1i7h s GLU 99 CO 0.02 0.36 0.30 0.42 -0.54 0.00 0.00 175.26 175.81 1i7h s ILE 100 N -0.05 5.28 0.87 -3.70 1.01 -1.26 -1.10 121.20 122.25 1i7h s ILE 100 Ca -0.04 0.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 1i7h s ILE 100 Cb -0.14 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.78 1i7h s ILE 100 CO 0.04 0.34 1.02 -2.65 0.00 0.00 0.00 174.94 173.69 1i7h n PRO 101 N 3.94 -0.14 0.14 2.79 -0.02 -1.26 -4.92 135.00 135.53 1i7h n PRO 101 Ca -0.11 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.52 1i7h n PRO 101 Cb 0.52 -2.29 0.41 0.00 -0.02 0.00 0.00 33.50 32.12 1i7h n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i7h h ARG 102 N -1.37 0.00 -2.59 -0.52 3.08 -1.97 -3.45 114.38 107.55 1i7h h ARG 102 Ca -0.44 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 1i7h h ARG 102 Cb 1.29 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.15 1i7h h ARG 102 CO 0.42 0.00 -0.02 -0.47 -1.07 0.00 0.00 179.97 178.82 1i7h s TYR 103 N -3.21 -0.41 -0.00 3.04 5.04 -1.26 -5.14 117.35 115.40 1i7h s TYR 103 Ca 0.08 0.63 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 1i7h s TYR 103 Cb 0.10 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.68 1i7h s TYR 103 CO 0.56 -0.54 0.03 0.95 -1.34 0.00 0.00 175.55 175.21 1i7h s THR 104 N -1.60 0.04 0.22 4.34 -4.23 -1.26 -4.77 115.64 108.38 1i7h s THR 104 Ca -0.10 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1i7h s THR 104 Cb -0.02 -0.17 -0.08 0.00 1.34 0.00 0.00 72.50 73.57 1i7h s THR 104 CO 0.05 -0.20 1.04 -0.63 -0.54 0.00 0.00 174.62 174.34 1i7h s ILE 105 N -0.61 3.85 -0.32 2.99 1.01 -1.26 -4.99 121.20 121.88 1i7h s ILE 105 Ca -0.07 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.37 1i7h s ILE 105 Cb -0.04 -4.11 0.18 0.00 0.01 0.00 0.00 42.46 38.49 1i7h s ILE 105 CO -0.00 0.37 0.50 0.21 0.00 0.00 0.00 174.94 176.01 1i7h s ASN 106 N -0.64 -0.48 0.00 3.58 3.84 -1.26 -4.35 114.94 115.64 1i7h s ASN 106 Ca 0.45 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.15 1i7h s ASN 106 Cb -0.29 1.48 0.00 0.00 -0.55 0.00 0.00 41.25 41.90 1i7h s ASN 106 CO 0.36 -0.30 0.39 1.41 -2.79 0.00 0.00 177.10 176.16 1i7h n HIS 107 N 5.13 0.00 -0.61 0.43 8.25 -1.26 -2.23 115.22 124.93 1i7h n HIS 107 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1i7h n HIS 107 Cb 0.52 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1i7h n HIS 107 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i7h n ALA 108 N -0.35 0.62 0.00 -1.41 0.00 -1.26 -5.32 120.51 112.79 1i7h n ALA 108 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1i7h n ALA 108 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1i7h n ALA 108 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39