#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9h s ALA 3 N 0.00 -1.70 -0.12 0.58 0.00 -1.26 -4.96 121.76 114.30 3i9h s ALA 3 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.86 3i9h s ALA 3 Cb 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 3i9h s ALA 3 CO 0.00 -1.05 0.32 0.08 0.00 0.00 0.00 175.76 175.11 3i9h s VAL 4 N -2.84 5.26 -0.17 0.00 1.01 -0.54 -4.37 120.40 118.75 3i9h s VAL 4 Ca 0.15 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3i9h s VAL 4 Cb -0.01 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3i9h s VAL 4 CO 0.03 0.43 -0.19 -0.89 0.00 0.00 0.00 175.10 174.48 3i9h s THR 5 N 0.12 2.23 -0.12 3.92 2.01 -0.91 -0.18 115.64 122.70 3i9h s THR 5 Ca 0.19 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3i9h s THR 5 Cb -0.14 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 3i9h s THR 5 CO 0.06 0.53 0.22 -0.36 -0.69 0.00 0.00 174.62 174.38 3i9h s PHE 6 N 1.12 3.55 0.08 4.92 0.40 -0.26 -0.57 117.98 127.22 3i9h s PHE 6 Ca 0.00 0.59 0.08 0.00 -0.60 0.00 0.00 56.93 57.00 3i9h s PHE 6 Cb -0.14 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 3i9h s PHE 6 CO -0.08 0.52 -0.18 0.71 0.70 0.00 0.00 175.22 176.90 3i9h s TYR 7 N -0.43 2.55 0.13 0.36 1.51 0.87 -1.70 117.35 120.63 3i9h s TYR 7 Ca 0.15 -0.26 -0.14 0.00 -1.01 0.00 0.00 57.07 55.82 3i9h s TYR 7 Cb -0.13 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 3i9h s TYR 7 CO 0.04 0.32 1.52 1.49 -1.11 0.00 0.00 175.55 177.82 3i9h h GLU 8 N 4.12 0.78 -5.93 -0.62 4.81 -0.12 -1.90 114.58 115.72 3i9h h GLU 8 Ca -0.49 -0.31 -0.56 0.00 -0.13 0.00 0.00 59.36 57.87 3i9h h GLU 8 Cb 1.16 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 3i9h h GLU 8 CO 0.47 0.93 -0.43 -0.51 -0.73 0.00 0.00 179.01 178.73 3i9h s ASP 9 N -6.43 4.59 0.62 1.04 1.01 0.09 -3.88 116.67 113.72 3i9h s ASP 9 Ca -0.12 -1.06 -0.17 0.00 0.71 0.00 0.00 52.55 51.90 3i9h s ASP 9 Cb 0.10 -0.28 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 3i9h s ASP 9 CO 0.82 -0.69 1.17 -0.51 0.21 0.00 0.00 175.17 176.17 3i9h s ILE 10 N -2.62 2.80 -1.34 0.77 2.07 -1.26 -2.94 121.20 118.69 3i9h s ILE 10 Ca 0.40 0.45 -0.03 0.00 -1.41 0.00 0.00 60.65 60.06 3i9h s ILE 10 Cb 0.01 -3.09 0.00 0.00 0.13 0.00 0.00 42.46 39.52 3i9h s ILE 10 CO 0.23 -0.16 0.43 0.59 -1.91 0.00 0.00 174.94 174.12 3i9h n ASN 11 N -1.92 -5.37 -3.70 4.50 5.03 0.87 -2.71 115.26 111.95 3i9h n ASN 11 Ca 0.12 -0.21 -0.27 0.00 0.87 0.00 0.00 54.58 55.10 3i9h n ASN 11 Cb 0.50 -4.24 0.05 0.00 -1.02 0.00 0.00 39.78 35.07 3i9h n ASN 11 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3i9h n TYR 12 N -4.27 -2.55 -3.11 3.10 4.02 -1.20 -4.99 117.16 108.16 3i9h n TYR 12 Ca -0.11 0.92 -0.19 0.00 -0.01 0.00 0.00 57.90 58.51 3i9h n TYR 12 Cb 0.61 -4.47 0.04 0.00 -0.02 0.00 0.00 39.34 35.49 3i9h n TYR 12 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3i9h s GLY 13 N -3.26 1.86 0.00 2.72 0.00 -1.10 -4.94 107.32 102.60 3i9h s GLY 13 Ca 0.61 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3i9h s GLY 13 CO 0.75 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.81 3i9h n GLY 14 N -2.06 -0.14 3.76 0.20 0.00 -1.26 -0.73 105.19 104.97 3i9h n GLY 14 Ca 0.12 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 3i9h n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9h s ALA 15 N -1.56 2.92 0.02 4.61 0.00 -1.26 -4.66 121.76 121.83 3i9h s ALA 15 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3i9h s ALA 15 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3i9h s ALA 15 CO 0.00 -0.92 -0.04 -1.54 0.00 0.00 0.00 175.76 173.26 3i9h s SER 16 N -1.20 0.34 -0.03 0.00 1.04 -1.26 0.30 113.70 112.90 3i9h s SER 16 Ca 0.66 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 3i9h s SER 16 Cb -0.33 0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.89 3i9h s SER 16 CO 0.40 -0.27 0.06 -0.69 0.98 0.00 0.00 173.24 173.72 3i9h s VAL 17 N -1.40 -0.03 -0.11 5.02 1.01 -0.69 -4.99 120.40 119.22 3i9h s VAL 17 Ca -0.14 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3i9h s VAL 17 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3i9h s VAL 17 CO -0.01 0.04 0.04 -0.44 0.00 0.00 0.00 175.10 174.74 3i9h s SER 18 N 0.57 5.57 0.06 3.32 0.01 -1.26 -1.11 113.70 120.86 3i9h s SER 18 Ca -0.04 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.47 3i9h s SER 18 Cb -0.06 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 3i9h s SER 18 CO -0.02 0.34 -0.14 -0.76 0.41 0.00 0.00 173.24 173.07 3i9h s LEU 19 N -0.65 2.25 0.00 2.44 1.43 0.74 -4.96 118.68 119.94 3i9h s LEU 19 Ca 0.11 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3i9h s LEU 19 Cb -0.12 -0.52 0.12 0.00 0.03 0.00 0.00 46.19 45.70 3i9h s LEU 19 CO 0.02 -0.06 0.81 0.00 0.23 0.00 0.00 176.35 177.36 3i9h n GLN 20 N 1.42 -0.20 -1.83 1.70 1.13 -1.26 -1.47 117.38 116.86 3i9h n GLN 20 Ca -0.21 -1.90 -0.35 0.00 -1.94 0.00 0.00 57.00 52.60 3i9h n GLN 20 Cb 0.54 -0.63 0.05 0.00 0.11 0.00 0.00 30.24 30.31 3i9h n GLN 20 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3i9h s PRO 21 N -4.61 2.72 0.00 -1.09 0.02 -1.26 -4.84 135.00 125.94 3i9h s PRO 21 Ca 0.51 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3i9h s PRO 21 Cb -0.02 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3i9h s PRO 21 CO 0.35 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3i9h n GLY 22 N 0.46 -2.06 2.97 0.52 0.00 -0.40 -4.96 105.19 101.73 3i9h n GLY 22 Ca 0.14 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3i9h n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i9h s ASN 23 N -0.81 4.45 -0.23 1.61 0.01 -1.26 -0.48 114.94 118.23 3i9h s ASN 23 Ca 0.00 -1.79 -0.09 0.00 -0.71 0.00 0.00 52.86 50.27 3i9h s ASN 23 Cb 0.00 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.19 3i9h s ASN 23 CO 0.00 -0.33 0.13 -0.31 -1.51 0.00 0.00 177.10 175.08 3i9h s TYR 24 N 1.13 3.25 0.80 2.20 1.51 -0.11 -5.00 117.35 121.12 3i9h s TYR 24 Ca 0.05 0.07 -0.07 0.00 -1.01 0.00 0.00 57.07 56.10 3i9h s TYR 24 Cb -0.19 -2.23 0.14 0.00 -0.11 0.00 0.00 41.96 39.56 3i9h s TYR 24 CO -0.10 -0.02 1.11 0.95 -1.11 0.00 0.00 175.55 176.38 3i9h s THR 25 N 1.09 2.12 0.11 -0.71 -4.23 -1.26 -1.62 115.64 111.14 3i9h s THR 25 Ca 0.06 -0.32 -0.24 0.00 -1.18 0.00 0.00 61.69 60.01 3i9h s THR 25 Cb -0.14 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.81 3i9h s THR 25 CO 0.04 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.06 3i9h h LEU 26 N -0.92 -0.35 -1.61 4.79 5.85 -1.86 -0.35 115.31 120.87 3i9h h LEU 26 Ca -0.41 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3i9h h LEU 26 Cb 1.27 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3i9h h LEU 26 CO 0.44 -0.18 0.30 0.77 -0.34 0.00 0.00 178.44 179.42 3i9h h SER 27 N -0.23 0.45 -0.15 1.25 4.64 -1.95 -0.30 113.55 117.26 3i9h h SER 27 Ca 0.03 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 3i9h h SER 27 Cb 0.26 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3i9h h SER 27 CO -0.09 0.32 -0.52 1.56 -0.87 0.00 0.00 176.83 177.22 3i9h h GLN 28 N 0.53 0.73 -0.04 4.77 4.20 -1.80 -1.75 115.11 121.75 3i9h h GLN 28 Ca 0.18 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3i9h h GLN 28 Cb 0.06 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3i9h h GLN 28 CO -0.04 1.07 0.01 -0.07 -0.67 0.00 0.00 178.83 179.13 3i9h h LEU 29 N 0.57 0.05 -0.93 1.46 3.38 -0.11 -1.89 115.31 117.85 3i9h h LEU 29 Ca 0.02 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 57.96 3i9h h LEU 29 Cb 1.09 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 3i9h h LEU 29 CO 0.11 0.21 0.54 0.78 0.09 0.00 0.00 178.44 180.17 3i9h h ASN 30 N -0.11 0.74 -0.18 -0.43 2.35 -0.73 0.24 115.58 117.45 3i9h h ASN 30 Ca 0.01 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3i9h h ASN 30 Cb 0.17 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3i9h h ASN 30 CO -0.00 0.35 -0.03 0.74 -1.65 0.00 0.00 177.43 176.84 3i9h h THR 31 N 0.80 1.20 -0.01 2.81 2.02 -1.03 -0.69 112.91 118.01 3i9h h THR 31 Ca 0.49 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3i9h h THR 31 Cb 0.60 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3i9h h THR 31 CO -0.31 0.27 0.00 0.00 0.37 0.00 0.00 175.52 175.85 3i9h n ALA 32 N -2.48 2.55 -1.02 6.16 0.00 0.67 -4.85 120.51 121.54 3i9h n ALA 32 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3i9h n ALA 32 Cb 0.26 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 3i9h n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9h n LYS 33 N -0.60 -0.11 -3.55 0.00 4.76 -0.26 -4.95 118.16 113.44 3i9h n LYS 33 Ca 0.08 0.34 -0.41 0.00 -2.87 0.00 0.00 58.31 55.44 3i9h n LYS 33 Cb 0.05 -3.71 -0.11 0.00 -1.84 0.00 0.00 35.03 29.42 3i9h n LYS 33 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i9h s ILE 34 N -2.00 4.77 0.88 -0.18 1.01 -0.19 -4.97 121.20 120.52 3i9h s ILE 34 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 3i9h s ILE 34 Cb 0.00 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.91 3i9h s ILE 34 CO 0.00 -0.27 1.13 -2.16 0.00 0.00 0.00 174.94 173.64 3i9h s PRO 35 N 1.59 1.39 0.59 2.79 0.04 -1.26 -2.42 135.00 137.72 3i9h s PRO 35 Ca 0.03 0.34 -0.17 0.00 0.04 0.00 0.00 61.00 61.24 3i9h s PRO 35 Cb -0.19 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3i9h s PRO 35 CO 0.08 -2.03 1.10 1.21 0.04 0.00 0.00 177.00 177.39 3i9h s ASN 36 N -4.05 5.56 -0.99 6.66 2.47 -1.26 -4.02 114.94 119.30 3i9h s ASN 36 Ca 0.63 2.02 -0.21 0.00 0.42 0.00 0.00 52.86 55.72 3i9h s ASN 36 Cb -0.14 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.13 3i9h s ASN 36 CO 0.53 -1.32 0.60 0.47 -3.72 0.00 0.00 177.10 173.65 3i9h n ASP 37 N -1.83 -3.97 0.00 -4.21 8.00 -0.84 -4.85 116.55 108.85 3i9h n ASP 37 Ca 0.10 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3i9h n ASP 37 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3i9h n ASP 37 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3i9h n TRP 38 N -3.95 0.00 -2.24 1.24 -0.00 -1.26 -4.65 117.44 106.58 3i9h n TRP 38 Ca -0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 56.91 3i9h n TRP 38 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.84 3i9h n TRP 38 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 3i9h s MET 39 N -0.34 4.33 0.00 5.87 1.75 -1.26 -4.50 119.30 125.16 3i9h s MET 39 Ca 0.00 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.41 3i9h s MET 39 Cb 0.00 -3.37 0.00 0.00 2.84 0.00 0.00 34.83 34.30 3i9h s MET 39 CO 0.00 -0.44 0.00 2.41 -0.65 0.00 0.00 175.02 176.34 3i9h n THR 40 N 4.18 0.00 -3.89 10.11 -1.04 -0.72 -2.02 114.28 120.90 3i9h n THR 40 Ca 0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.03 3i9h n THR 40 Cb 0.44 -0.88 -0.07 0.00 -1.82 0.00 0.00 70.33 67.99 3i9h n THR 40 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i9h s SER 41 N -3.02 0.06 -0.08 8.00 1.04 -1.18 -1.61 113.70 116.91 3i9h s SER 41 Ca 0.00 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.42 3i9h s SER 41 Cb 0.00 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.58 3i9h s SER 41 CO 0.00 -0.81 0.66 -1.48 0.98 0.00 0.00 173.24 172.59 3i9h s LEU 42 N -2.90 -0.58 -0.15 2.42 2.34 -0.80 -0.09 118.68 118.92 3i9h s LEU 42 Ca 0.10 0.80 -0.06 0.00 0.06 0.00 0.00 54.13 55.02 3i9h s LEU 42 Cb 0.04 2.44 -0.04 0.00 -0.56 0.00 0.00 46.19 48.07 3i9h s LEU 42 CO -0.06 -0.54 0.06 -0.54 -1.06 0.00 0.00 176.35 174.21 3i9h s LYS 43 N -0.94 3.70 -0.10 1.48 1.02 0.26 -0.71 119.74 124.46 3i9h s LYS 43 Ca -0.09 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 55.59 3i9h s LYS 43 Cb -0.01 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 3i9h s LYS 43 CO 0.08 0.44 -0.13 0.08 -0.92 0.00 0.00 175.35 174.91 3i9h s VAL 44 N -0.12 1.31 0.19 3.17 1.01 -1.26 -2.14 120.40 122.57 3i9h s VAL 44 Ca 0.07 -0.54 -0.32 0.00 0.00 0.00 0.00 61.98 61.20 3i9h s VAL 44 Cb -0.12 -1.22 -0.12 0.00 0.00 0.00 0.00 36.38 34.92 3i9h s VAL 44 CO 0.01 0.40 1.74 -2.65 0.00 0.00 0.00 175.10 174.61 3i9h n PRO 45 N 4.22 2.78 -1.64 2.72 -0.02 -1.26 -3.87 135.00 137.93 3i9h n PRO 45 Ca -0.19 1.01 -0.48 0.00 -2.02 0.00 0.00 63.50 61.82 3i9h n PRO 45 Cb 0.51 -2.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.08 3i9h n PRO 45 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i9h n SER 46 N 4.25 2.58 0.00 2.55 3.41 -1.26 -0.55 113.62 124.60 3i9h n SER 46 Ca 0.16 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 3i9h n SER 46 Cb 0.35 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3i9h n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9h n GLY 47 N 3.04 2.99 3.93 5.00 0.00 -1.26 -5.07 105.19 113.82 3i9h n GLY 47 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3i9h n GLY 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i9h s TRP 48 N -2.74 3.39 -0.04 1.61 0.52 0.29 -3.53 118.94 118.44 3i9h s TRP 48 Ca 0.00 0.54 0.02 0.00 0.02 0.00 0.00 56.10 56.68 3i9h s TRP 48 Cb 0.00 -2.33 0.01 0.00 -1.15 0.00 0.00 33.47 30.00 3i9h s TRP 48 CO 0.00 -0.35 -0.10 0.99 0.02 0.00 0.00 176.95 177.51 3i9h s THR 49 N -2.67 0.89 -0.19 2.01 2.01 0.02 -4.46 115.64 113.25 3i9h s THR 49 Ca 0.48 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.11 3i9h s THR 49 Cb -0.10 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.62 3i9h s THR 49 CO 0.42 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.80 3i9h s VAL 50 N 0.46 1.81 -0.38 3.82 1.01 -0.23 -0.44 120.40 126.45 3i9h s VAL 50 Ca -0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 3i9h s VAL 50 Cb -0.12 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.53 3i9h s VAL 50 CO 0.02 0.33 0.22 -1.81 0.00 0.00 0.00 175.10 173.85 3i9h s ASP 51 N 1.35 5.76 -0.16 3.32 1.01 0.65 -1.04 116.67 127.56 3i9h s ASP 51 Ca 0.01 -1.01 -0.15 0.00 0.71 0.00 0.00 52.55 52.11 3i9h s ASP 51 Cb -0.15 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 3i9h s ASP 51 CO -0.10 -0.40 0.34 -0.69 0.21 0.00 0.00 175.17 174.54 3i9h s VAL 52 N 1.56 5.27 -0.07 -1.27 1.01 0.14 -0.98 120.40 126.05 3i9h s VAL 52 Ca 0.02 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3i9h s VAL 52 Cb -0.19 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3i9h s VAL 52 CO 0.07 0.35 -0.04 -0.31 0.00 0.00 0.00 175.10 175.17 3i9h s TYR 53 N 0.69 3.02 0.19 5.22 1.51 -0.25 -0.38 117.35 127.34 3i9h s TYR 53 Ca 0.18 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.23 3i9h s TYR 53 Cb -0.14 -1.73 0.10 0.00 -0.11 0.00 0.00 41.96 40.08 3i9h s TYR 53 CO 0.06 0.39 1.71 1.49 -1.11 0.00 0.00 175.55 178.09 3i9h h GLU 54 N 5.16 1.06 -5.77 -0.62 4.81 -0.73 -1.78 114.58 116.71 3i9h h GLU 54 Ca -0.50 -0.24 -0.60 0.00 -0.13 0.00 0.00 59.36 57.90 3i9h h GLU 54 Cb 1.18 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 3i9h h GLU 54 CO 0.53 0.93 -0.40 -0.80 -0.73 0.00 0.00 179.01 178.54 3i9h s ASN 55 N -6.34 4.49 0.76 1.04 0.01 -0.31 -4.08 114.94 110.51 3i9h s ASN 55 Ca -0.12 -1.28 -0.11 0.00 -0.71 0.00 0.00 52.86 50.64 3i9h s ASN 55 Cb 0.14 0.19 0.05 0.00 0.41 0.00 0.00 41.25 42.04 3i9h s ASN 55 CO 0.83 -0.90 1.09 -0.62 -1.51 0.00 0.00 177.10 175.99 3i9h s ASP 56 N -4.10 4.60 -1.45 -1.22 -1.08 -1.26 -3.65 116.67 108.51 3i9h s ASP 56 Ca 0.30 1.79 -0.10 0.00 -0.52 0.00 0.00 52.55 54.02 3i9h s ASP 56 Cb 0.00 -2.51 0.04 0.00 -1.46 0.00 0.00 42.92 38.99 3i9h s ASP 56 CO 0.18 -1.97 0.97 0.59 0.52 0.00 0.00 175.17 175.46 3i9h n ASN 57 N -3.48 -5.67 -3.67 -0.34 3.02 -1.26 -3.15 115.26 100.71 3i9h n ASN 57 Ca 0.09 -0.56 -0.21 0.00 -0.03 0.00 0.00 54.58 53.87 3i9h n ASN 57 Cb 0.53 -4.51 0.04 0.00 -0.61 0.00 0.00 39.78 35.23 3i9h n ASN 57 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3i9h n PHE 58 N -4.75 -2.02 -4.42 3.10 3.01 -1.25 -5.00 117.46 106.13 3i9h n PHE 58 Ca -0.00 0.87 -0.22 0.00 1.01 0.00 0.00 57.45 59.11 3i9h n PHE 58 Cb 0.56 -4.49 -0.09 0.00 -0.01 0.00 0.00 39.48 35.45 3i9h n PHE 58 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3i9h s THR 59 N -3.58 0.58 0.00 4.37 -4.23 -1.19 -5.05 115.64 106.54 3i9h s THR 59 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3i9h s THR 59 Cb -0.04 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3i9h s THR 59 CO 0.80 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 3i9h n GLY 60 N -0.72 -1.89 3.77 3.99 0.00 -1.26 -1.16 105.19 107.91 3i9h n GLY 60 Ca -0.02 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 3i9h n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9h s THR 61 N 0.00 2.58 -0.12 2.61 2.01 -1.26 -4.65 115.64 116.81 3i9h s THR 61 Ca 0.00 0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.52 3i9h s THR 61 Cb 0.00 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 3i9h s THR 61 CO 0.00 0.06 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.03 3i9h s LYS 62 N -2.38 3.15 -0.06 4.92 2.20 -1.26 -0.31 119.74 125.99 3i9h s LYS 62 Ca 0.60 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 3i9h s LYS 62 Cb -0.38 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3i9h s LYS 62 CO 0.48 0.16 -0.18 -1.58 -0.36 0.00 0.00 175.35 173.87 3i9h s TRP 63 N 0.43 2.62 -0.06 4.03 0.51 0.48 -4.95 118.94 122.01 3i9h s TRP 63 Ca -0.15 -0.38 0.04 0.00 -2.12 0.00 0.00 56.10 53.49 3i9h s TRP 63 Cb -0.17 -1.64 -0.02 0.00 -0.81 0.00 0.00 33.47 30.82 3i9h s TRP 63 CO 0.06 0.01 -0.17 0.99 -0.51 0.00 0.00 176.95 177.34 3i9h s THR 64 N -0.42 2.82 -0.02 2.01 2.01 -1.26 0.25 115.64 121.02 3i9h s THR 64 Ca 0.05 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3i9h s THR 64 Cb -0.12 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 3i9h s THR 64 CO 0.02 0.58 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.11 3i9h s TYR 65 N -0.50 1.02 -0.07 4.92 1.51 -0.20 -4.99 117.35 119.04 3i9h s TYR 65 Ca 0.06 -0.24 0.11 0.00 -1.01 0.00 0.00 57.07 55.99 3i9h s TYR 65 Cb -0.12 -0.70 0.20 0.00 -0.11 0.00 0.00 41.96 41.23 3i9h s TYR 65 CO 0.01 -0.08 1.10 0.25 -1.11 0.00 0.00 175.55 175.72 3i9h n THR 66 N 3.14 0.99 -3.59 -0.71 -2.24 -1.26 -1.07 114.28 109.54 3i9h n THR 66 Ca -0.17 -1.35 -0.05 0.00 -2.27 0.00 0.00 64.05 60.22 3i9h n THR 66 Cb 0.55 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 3i9h n THR 66 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i9h s SER 67 N -2.09 -0.20 0.05 3.42 1.04 -1.26 -4.43 113.70 110.23 3i9h s SER 67 Ca 0.20 -0.08 -0.37 0.00 0.48 0.00 0.00 55.95 56.19 3i9h s SER 67 Cb 0.19 0.27 -0.16 0.00 0.10 0.00 0.00 66.02 66.42 3i9h s SER 67 CO -0.01 -0.46 1.43 0.47 0.98 0.00 0.00 173.24 175.65 3i9h n ASP 68 N -0.26 1.98 -3.78 7.02 8.00 -1.25 -4.35 116.55 123.91 3i9h n ASP 68 Ca -0.05 1.11 -0.30 0.00 0.71 0.00 0.00 54.79 56.26 3i9h n ASP 68 Cb 0.60 -1.22 -0.15 0.00 -0.02 0.00 0.00 41.12 40.33 3i9h n ASP 68 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i9h s THR 69 N 0.97 1.09 -0.33 -3.53 2.01 0.11 -4.93 115.64 111.04 3i9h s THR 69 Ca 0.85 -1.53 0.25 0.00 0.31 0.00 0.00 61.69 61.57 3i9h s THR 69 Cb -0.92 -1.82 0.27 0.00 0.01 0.00 0.00 72.50 70.04 3i9h s THR 69 CO 0.48 -0.65 1.75 1.55 -0.69 0.00 0.00 174.62 177.06 3i9h h PRO 70 N 8.02 0.00 -1.56 4.92 0.13 -1.92 -2.13 132.00 139.46 3i9h h PRO 70 Ca -0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.93 3i9h h PRO 70 Cb 1.02 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.88 3i9h h PRO 70 CO 0.48 0.00 -0.42 -0.46 -0.23 0.00 0.00 178.00 177.37 3i9h s TRP 71 N -3.43 -1.13 -0.66 1.56 -0.00 -1.26 -0.09 118.94 113.93 3i9h s TRP 71 Ca 0.02 1.04 0.21 0.00 -0.00 0.00 0.00 56.10 57.38 3i9h s TRP 71 Cb 0.09 0.17 0.88 0.00 -0.00 0.00 0.00 33.47 34.61 3i9h s TRP 71 CO 0.37 -0.82 1.66 1.33 -0.00 0.00 0.00 176.95 179.49 3i9h n VAL 72 N 5.38 0.83 0.00 5.86 0.24 -0.63 -5.00 118.33 125.01 3i9h n VAL 72 Ca -0.02 0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 3i9h n VAL 72 Cb 0.50 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 3i9h n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9h n GLY 73 N 0.15 0.21 0.29 7.63 0.00 -1.26 -4.32 105.19 107.88 3i9h n GLY 73 Ca 0.03 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.44 3i9h n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i9h h ASN 74 N 0.00 0.25 -0.16 1.61 -0.26 -1.94 0.14 115.58 115.21 3i9h h ASN 74 Ca 0.00 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 3i9h h ASN 74 Cb 0.00 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3i9h h ASN 74 CO 0.00 0.18 0.02 -0.78 -1.06 0.00 0.00 177.43 175.78 3i9h h ASP 75 N 0.29 0.27 0.61 5.81 3.58 -2.03 -3.23 116.42 121.72 3i9h h ASP 75 Ca 0.09 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.26 3i9h h ASP 75 Cb 0.01 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3i9h h ASP 75 CO -0.02 0.48 -0.76 0.00 -2.88 0.00 0.00 179.24 176.06 3i9h n ALA 76 N -2.29 3.26 -1.72 -0.78 0.00 -1.13 -4.92 120.51 112.92 3i9h n ALA 76 Ca -0.05 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3i9h n ALA 76 Cb 0.20 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3i9h n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i9h n ASN 77 N -1.92 3.21 -4.09 0.00 5.15 0.47 -2.86 115.26 115.23 3i9h n ASN 77 Ca 0.03 1.20 -0.33 0.00 -0.60 0.00 0.00 54.58 54.89 3i9h n ASN 77 Cb 0.41 -1.53 -0.01 0.00 -0.53 0.00 0.00 39.78 38.12 3i9h n ASN 77 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3i9h n ASP 78 N 1.01 -3.18 0.00 1.20 8.00 -0.86 -4.85 116.55 117.87 3i9h n ASP 78 Ca 0.05 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3i9h n ASP 78 Cb 0.36 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 3i9h n ASP 78 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i9h n LYS 79 N -4.47 3.46 -1.69 -1.24 5.02 -1.13 -4.40 118.16 113.72 3i9h n LYS 79 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 3i9h n LYS 79 Cb 0.54 -0.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.91 3i9h n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3i9h n MET 80 N -0.91 2.70 0.00 1.97 1.56 -1.26 -4.36 117.12 116.81 3i9h n MET 80 Ca 0.00 0.98 0.00 0.00 -0.27 0.00 0.00 57.70 58.41 3i9h n MET 80 Cb 0.00 -2.87 0.00 0.00 2.15 0.00 0.00 33.22 32.50 3i9h n MET 80 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 3i9h n THR 81 N 4.70 0.00 -3.71 1.12 -1.04 -0.67 -1.98 114.28 112.69 3i9h n THR 81 Ca 0.18 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.09 3i9h n THR 81 Cb 0.36 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.61 3i9h n THR 81 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i9h s SER 82 N -2.09 -0.15 -0.13 8.00 1.04 -1.22 -2.42 113.70 116.74 3i9h s SER 82 Ca 0.00 -0.29 -0.24 0.00 0.48 0.00 0.00 55.95 55.90 3i9h s SER 82 Cb 0.00 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.59 3i9h s SER 82 CO 0.00 -0.73 0.59 0.54 0.98 0.00 0.00 173.24 174.62 3i9h s VAL 83 N -3.23 0.01 -0.13 5.02 0.11 -0.64 -1.09 120.40 120.45 3i9h s VAL 83 Ca -0.00 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 3i9h s VAL 83 Cb 0.01 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 3i9h s VAL 83 CO -0.08 -0.04 -0.19 -0.54 -3.33 0.00 0.00 175.10 170.92 3i9h s LYS 84 N -0.51 3.14 -0.14 1.54 1.02 -0.16 -0.94 119.74 123.69 3i9h s LYS 84 Ca -0.06 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.12 3i9h s LYS 84 Cb -0.03 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3i9h s LYS 84 CO 0.05 0.07 -0.15 0.42 -0.92 0.00 0.00 175.35 174.82 3i9h s ILE 85 N 0.66 2.81 0.01 2.17 1.01 0.37 -0.25 121.20 127.97 3i9h s ILE 85 Ca -0.10 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.89 3i9h s ILE 85 Cb -0.16 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3i9h s ILE 85 CO 0.02 0.52 -0.22 -0.31 0.00 0.00 0.00 174.94 174.95 3i9h s TYR 86 N 0.58 1.99 -0.72 3.97 1.51 0.42 -1.27 117.35 123.82 3i9h s TYR 86 Ca -0.09 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 3i9h s TYR 86 Cb -0.16 -1.24 0.22 0.00 -0.11 0.00 0.00 41.96 40.67 3i9h s TYR 86 CO 0.03 0.03 0.88 -1.13 -1.11 0.00 0.00 175.55 174.26 3i9h n SER 87 N 2.21 2.39 0.00 2.29 3.41 -1.26 -0.80 113.62 121.86 3i9h n SER 87 Ca -0.16 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 3i9h n SER 87 Cb 0.53 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23