#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 -2.17 -0.11 0.58 0.00 -1.26 -4.90 121.76 113.90 3i9h s ALA 3 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 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 -1.09 0.30 0.08 0.00 0.00 0.00 175.76 175.05 3i9h s VAL 4 N -2.30 5.27 -0.17 0.00 1.01 -0.70 -4.37 120.40 119.14 3i9h s VAL 4 Ca 0.21 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 3i9h s VAL 4 Cb 0.01 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3i9h s VAL 4 CO -0.01 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.52 3i9h s THR 5 N -0.16 2.56 -0.16 3.92 2.01 -0.91 -0.51 115.64 122.38 3i9h s THR 5 Ca 0.18 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 3i9h s THR 5 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3i9h s THR 5 CO 0.06 0.51 0.13 -0.36 -0.69 0.00 0.00 174.62 174.27 3i9h s PHE 6 N 1.10 3.49 0.07 4.92 0.40 -0.08 -1.04 117.98 126.84 3i9h s PHE 6 Ca 0.00 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 3i9h s PHE 6 Cb -0.14 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 3i9h s PHE 6 CO -0.05 0.50 -0.18 0.71 0.70 0.00 0.00 175.22 176.89 3i9h s TYR 7 N -0.30 2.54 0.04 0.36 1.51 0.12 -1.76 117.35 119.86 3i9h s TYR 7 Ca 0.11 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.59 3i9h s TYR 7 Cb -0.12 -1.41 -0.17 0.00 -0.11 0.00 0.00 41.96 40.15 3i9h s TYR 7 CO 0.01 0.30 1.35 1.49 -1.11 0.00 0.00 175.55 177.60 3i9h h GLU 8 N 4.22 -1.09 -6.75 -0.62 4.81 -0.51 -2.03 114.58 112.60 3i9h h GLU 8 Ca -0.49 0.07 -0.46 0.00 -0.13 0.00 0.00 59.36 58.36 3i9h h GLU 8 Cb 1.16 0.25 0.04 0.00 0.63 0.00 0.00 28.75 30.83 3i9h h GLU 8 CO 0.47 -0.73 -0.07 -0.51 -0.73 0.00 0.00 179.01 177.44 3i9h s ASP 9 N -4.05 5.04 0.96 1.04 1.01 0.21 -3.52 116.67 117.36 3i9h s ASP 9 Ca -0.17 -0.52 -0.11 0.00 0.71 0.00 0.00 52.55 52.46 3i9h s ASP 9 Cb 0.02 -0.13 0.17 0.00 1.01 0.00 0.00 42.92 43.98 3i9h s ASP 9 CO 0.50 -1.33 1.09 -0.51 0.21 0.00 0.00 175.17 175.12 3i9h s ILE 10 N -2.74 2.41 -1.55 0.77 2.07 -1.26 -3.03 121.20 117.86 3i9h s ILE 10 Ca 0.61 0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.88 3i9h s ILE 10 Cb -0.07 -2.41 0.08 0.00 0.13 0.00 0.00 42.46 40.19 3i9h s ILE 10 CO 0.39 -0.17 0.68 0.59 -1.91 0.00 0.00 174.94 174.51 3i9h n ASN 11 N -4.19 -2.35 -3.98 4.50 3.02 0.26 -1.92 115.26 110.60 3i9h n ASN 11 Ca 0.07 -0.97 -0.29 0.00 -0.03 0.00 0.00 54.58 53.36 3i9h n ASN 11 Cb 0.54 -3.08 -0.00 0.00 -0.61 0.00 0.00 39.78 36.63 3i9h n ASN 11 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3i9h n TYR 12 N -4.44 -1.89 -3.73 3.10 4.02 -1.24 -4.98 117.16 108.00 3i9h n TYR 12 Ca -0.09 0.82 -0.22 0.00 -0.01 0.00 0.00 57.90 58.40 3i9h n TYR 12 Cb 0.58 -3.69 -0.04 0.00 -0.02 0.00 0.00 39.34 36.16 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 -3.79 2.16 0.00 2.72 0.00 -0.81 -4.98 107.32 102.62 3i9h s GLY 13 Ca 0.38 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3i9h s GLY 13 CO 0.87 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 172.84 3i9h n GLY 14 N -1.45 -1.08 3.76 0.20 0.00 -1.26 -0.62 105.19 104.73 3i9h n GLY 14 Ca 0.02 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.17 2.93 0.01 4.61 0.00 -1.26 -4.67 121.76 122.21 3i9h s ALA 15 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 3i9h s ALA 15 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3i9h s ALA 15 CO 0.00 -1.08 0.03 -1.54 0.00 0.00 0.00 175.76 173.17 3i9h s SER 16 N -1.05 0.16 -0.02 0.00 1.04 -1.26 -0.15 113.70 112.42 3i9h s SER 16 Ca 0.67 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.74 3i9h s SER 16 Cb -0.36 0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3i9h s SER 16 CO 0.44 -0.30 -0.01 -0.69 0.98 0.00 0.00 173.24 173.65 3i9h s VAL 17 N -1.34 0.19 -0.15 5.02 1.01 -0.72 -4.99 120.40 119.42 3i9h s VAL 17 Ca -0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3i9h s VAL 17 Cb -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3i9h s VAL 17 CO -0.00 0.10 -0.02 -0.44 0.00 0.00 0.00 175.10 174.74 3i9h s SER 18 N 0.48 4.95 0.09 3.32 0.01 -1.26 -0.91 113.70 120.39 3i9h s SER 18 Ca -0.05 -0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.22 3i9h s SER 18 Cb -0.07 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 3i9h s SER 18 CO -0.01 0.20 -0.20 -0.76 0.41 0.00 0.00 173.24 172.88 3i9h s LEU 19 N 0.20 2.29 0.66 2.44 1.43 0.33 -4.95 118.68 121.08 3i9h s LEU 19 Ca -0.01 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 3i9h s LEU 19 Cb -0.14 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.32 3i9h s LEU 19 CO 0.02 0.04 0.94 -1.10 0.23 0.00 0.00 176.35 176.49 3i9h s GLN 20 N -1.84 2.23 0.51 1.70 -1.52 -1.26 -1.72 119.66 117.76 3i9h s GLN 20 Ca 0.05 -0.50 -0.20 0.00 -1.95 0.00 0.00 55.36 52.75 3i9h s GLN 20 Cb -0.10 -2.28 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 3i9h s GLN 20 CO 0.04 -1.11 0.75 -2.30 -0.25 0.00 0.00 175.29 172.42 3i9h n PRO 21 N -2.74 0.82 -3.60 2.91 -0.02 -1.26 -4.85 135.00 126.26 3i9h n PRO 21 Ca 0.09 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i9h n PRO 21 Cb 0.60 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3i9h n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9h n GLY 22 N 1.52 -2.42 2.97 -1.23 0.00 -0.09 -4.94 105.19 101.01 3i9h n GLY 22 Ca 0.11 -1.38 -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 -0.41 4.44 -0.23 1.61 0.01 -1.26 0.20 114.94 119.31 3i9h s ASN 23 Ca 0.00 -1.78 -0.08 0.00 -0.71 0.00 0.00 52.86 50.29 3i9h s ASN 23 Cb 0.00 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.20 3i9h s ASN 23 CO 0.00 -0.33 0.09 -0.31 -1.51 0.00 0.00 177.10 175.04 3i9h s TYR 24 N 1.13 3.18 0.82 2.20 1.51 0.15 -4.98 117.35 121.36 3i9h s TYR 24 Ca 0.05 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 55.88 3i9h s TYR 24 Cb -0.19 -2.21 0.12 0.00 -0.11 0.00 0.00 41.96 39.57 3i9h s TYR 24 CO -0.10 -0.12 1.16 0.95 -1.11 0.00 0.00 175.55 176.33 3i9h s THR 25 N 1.17 2.09 0.20 -0.71 -4.23 -1.26 -1.31 115.64 111.59 3i9h s THR 25 Ca 0.05 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.32 3i9h s THR 25 Cb -0.14 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 70.87 3i9h s THR 25 CO 0.04 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.17 3i9h h LEU 26 N -1.06 0.50 -0.81 4.79 7.12 -1.80 0.91 115.31 124.95 3i9h h LEU 26 Ca -0.44 0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.52 3i9h h LEU 26 Cb 1.29 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 3i9h h LEU 26 CO 0.52 0.33 0.04 0.77 -0.13 0.00 0.00 178.44 179.97 3i9h h SER 27 N 0.63 0.90 -0.15 1.25 4.64 -1.94 -0.07 113.55 118.81 3i9h h SER 27 Ca 0.28 -0.22 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 3i9h h SER 27 Cb 0.16 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3i9h h SER 27 CO -0.17 0.94 -0.42 1.56 -0.87 0.00 0.00 176.83 177.86 3i9h h GLN 28 N 0.87 0.69 -0.65 4.77 4.20 -1.78 -0.68 115.11 122.53 3i9h h GLN 28 Ca 0.17 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 3i9h h GLN 28 Cb 0.46 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3i9h h GLN 28 CO 0.02 0.99 0.20 -0.07 -0.67 0.00 0.00 178.83 179.30 3i9h h LEU 29 N 0.56 0.96 -0.85 1.46 3.38 -0.52 -2.13 115.31 118.17 3i9h h LEU 29 Ca 0.04 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3i9h h LEU 29 Cb 0.97 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3i9h h LEU 29 CO 0.09 0.91 0.27 0.78 0.09 0.00 0.00 178.44 180.58 3i9h h ASN 30 N 0.95 1.03 0.07 -0.43 2.35 -0.68 0.24 115.58 119.12 3i9h h ASN 30 Ca 0.21 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3i9h h ASN 30 Cb 0.30 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3i9h h ASN 30 CO -0.01 0.93 -0.14 0.74 -1.65 0.00 0.00 177.43 177.31 3i9h h THR 31 N 1.08 1.15 -0.25 2.81 2.02 -0.76 -0.88 112.91 118.09 3i9h h THR 31 Ca 0.24 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3i9h h THR 31 Cb 0.24 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3i9h h THR 31 CO -0.02 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.08 3i9h n ALA 32 N -2.50 2.74 -1.49 6.16 0.00 -0.83 -4.87 120.51 119.72 3i9h n ALA 32 Ca -0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.74 3i9h n ALA 32 Cb 0.25 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.27 -0.60 -3.67 0.00 4.01 -0.34 -4.93 118.16 112.91 3i9h n LYS 33 Ca 0.10 0.68 -0.39 0.00 -0.51 0.00 0.00 58.31 58.19 3i9h n LYS 33 Cb 0.42 -4.56 -0.12 0.00 -0.51 0.00 0.00 35.03 30.26 3i9h n LYS 33 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3i9h s ILE 34 N -2.34 4.18 0.93 -0.18 1.01 0.79 -4.96 121.20 120.63 3i9h s ILE 34 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 3i9h s ILE 34 Cb 0.00 -3.37 0.15 0.00 0.01 0.00 0.00 42.46 39.24 3i9h s ILE 34 CO 0.00 -0.24 1.09 -2.84 0.00 0.00 0.00 174.94 172.95 3i9h s PRO 35 N 1.47 1.02 0.53 2.79 0.02 -1.26 -2.74 135.00 136.83 3i9h s PRO 35 Ca 0.00 0.75 -0.18 0.00 0.02 0.00 0.00 61.00 61.59 3i9h s PRO 35 Cb -0.20 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 3i9h s PRO 35 CO 0.04 -2.39 1.03 1.21 -0.33 0.00 0.00 177.00 176.57 3i9h s ASN 36 N -3.42 6.17 -0.79 2.53 3.84 -1.26 -4.01 114.94 118.00 3i9h s ASN 36 Ca 0.64 1.81 -0.04 0.00 0.21 0.00 0.00 52.86 55.48 3i9h s ASN 36 Cb -0.18 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 37.98 3i9h s ASN 36 CO 0.57 -0.90 0.55 0.47 -2.79 0.00 0.00 177.10 175.00 3i9h n ASP 37 N -1.51 -4.20 0.00 -4.21 8.00 -0.98 -4.84 116.55 108.81 3i9h n ASP 37 Ca 0.09 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3i9h n ASP 37 Cb 0.53 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.71 0.00 -2.23 1.24 -0.00 -1.26 -4.69 117.44 107.80 3i9h n TRP 38 Ca -0.27 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 56.81 3i9h n TRP 38 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.89 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 -1.00 4.39 0.00 5.87 1.75 -1.26 -4.55 119.30 124.50 3i9h s MET 39 Ca 0.00 2.04 0.00 0.00 -1.25 0.00 0.00 55.69 56.48 3i9h s MET 39 Cb 0.00 -3.21 0.00 0.00 2.84 0.00 0.00 34.83 34.46 3i9h s MET 39 CO 0.00 -0.27 0.00 2.41 -0.65 0.00 0.00 175.02 176.51 3i9h n THR 40 N 2.84 0.00 -3.93 10.11 -1.04 -0.77 -2.07 114.28 119.42 3i9h n THR 40 Ca 0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.99 3i9h n THR 40 Cb 0.43 -0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 68.17 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 -2.61 0.19 -0.00 8.00 1.04 -1.20 -1.44 113.70 117.67 3i9h s SER 41 Ca 0.00 -0.56 -0.19 0.00 0.48 0.00 0.00 55.95 55.68 3i9h s SER 41 Cb 0.00 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.39 3i9h s SER 41 CO 0.00 -0.53 0.41 -1.48 0.98 0.00 0.00 173.24 172.62 3i9h s LEU 42 N -2.21 0.45 -0.17 2.42 2.34 -0.73 0.15 118.68 120.93 3i9h s LEU 42 Ca -0.04 0.18 -0.04 0.00 0.06 0.00 0.00 54.13 54.29 3i9h s LEU 42 Cb -0.00 1.63 -0.03 0.00 -0.56 0.00 0.00 46.19 47.23 3i9h s LEU 42 CO -0.05 -0.54 -0.02 -0.54 -1.06 0.00 0.00 176.35 174.14 3i9h s LYS 43 N -1.63 3.68 -0.14 1.48 1.02 -0.20 -0.13 119.74 123.82 3i9h s LYS 43 Ca -0.11 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.39 3i9h s LYS 43 Cb -0.03 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3i9h s LYS 43 CO 0.04 0.20 -0.20 0.08 -0.92 0.00 0.00 175.35 174.55 3i9h s VAL 44 N 0.49 2.30 0.68 3.17 1.01 -1.26 -2.15 120.40 124.63 3i9h s VAL 44 Ca -0.03 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3i9h s VAL 44 Cb -0.14 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3i9h s VAL 44 CO 0.03 0.54 1.28 -2.84 0.00 0.00 0.00 175.10 174.10 3i9h s PRO 45 N 0.72 2.37 0.14 2.72 0.02 -1.26 -4.10 135.00 135.61 3i9h s PRO 45 Ca -0.09 2.01 -0.32 0.00 0.02 0.00 0.00 61.00 62.63 3i9h s PRO 45 Cb -0.16 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 3i9h s PRO 45 CO 0.01 -1.72 1.80 0.43 -0.33 0.00 0.00 177.00 177.18 3i9h n SER 46 N -2.17 3.94 0.00 2.53 7.64 -1.26 -1.77 113.62 122.52 3i9h n SER 46 Ca 0.15 1.01 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3i9h n SER 46 Cb 0.49 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3i9h n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i9h n GLY 47 N 4.12 0.95 3.95 0.23 0.00 -1.26 -5.02 105.19 108.16 3i9h n GLY 47 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.01 3.24 -0.02 1.61 0.52 -0.73 -2.66 118.94 117.90 3i9h s TRP 48 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.38 3i9h s TRP 48 Cb 0.00 -2.30 0.02 0.00 -1.15 0.00 0.00 33.47 30.04 3i9h s TRP 48 CO 0.00 -0.35 0.00 0.95 0.02 0.00 0.00 176.95 177.58 3i9h s THR 49 N -2.56 0.09 -0.19 2.01 -4.23 -0.24 -4.54 115.64 105.98 3i9h s THR 49 Ca 0.48 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 3i9h s THR 49 Cb -0.10 -0.17 0.04 0.00 1.34 0.00 0.00 72.50 73.61 3i9h s THR 49 CO 0.38 0.10 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.75 3i9h s VAL 50 N 0.74 1.70 -0.40 2.29 1.01 -0.14 -0.78 120.40 124.83 3i9h s VAL 50 Ca -0.07 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 3i9h s VAL 50 Cb -0.10 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.57 3i9h s VAL 50 CO -0.02 0.24 0.28 -1.81 0.00 0.00 0.00 175.10 173.80 3i9h s ASP 51 N 1.38 6.06 -0.18 3.32 1.01 0.01 -1.07 116.67 127.19 3i9h s ASP 51 Ca -0.00 -0.87 -0.17 0.00 0.71 0.00 0.00 52.55 52.22 3i9h s ASP 51 Cb -0.16 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 3i9h s ASP 51 CO -0.09 -0.42 0.45 -0.69 0.21 0.00 0.00 175.17 174.63 3i9h s VAL 52 N 1.67 5.17 -0.12 -1.27 1.01 0.79 -1.38 120.40 126.27 3i9h s VAL 52 Ca 0.05 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 3i9h s VAL 52 Cb -0.19 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3i9h s VAL 52 CO 0.10 0.25 0.02 -0.31 0.00 0.00 0.00 175.10 175.16 3i9h s TYR 53 N 1.24 3.20 0.22 5.22 1.51 -0.25 -0.71 117.35 127.78 3i9h s TYR 53 Ca 0.22 0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.33 3i9h s TYR 53 Cb -0.15 -1.89 0.22 0.00 -0.11 0.00 0.00 41.96 40.03 3i9h s TYR 53 CO 0.09 0.36 1.88 1.49 -1.11 0.00 0.00 175.55 178.25 3i9h h GLU 54 N 5.69 1.03 -5.68 -0.62 4.81 -0.30 -2.09 114.58 117.42 3i9h h GLU 54 Ca -0.45 -0.06 -0.61 0.00 -0.13 0.00 0.00 59.36 58.10 3i9h h GLU 54 Cb 1.19 -0.23 -0.09 0.00 0.63 0.00 0.00 28.75 30.25 3i9h h GLU 54 CO 0.59 0.68 -0.44 -0.80 -0.73 0.00 0.00 179.01 178.31 3i9h s ASN 55 N -5.89 4.38 0.74 1.04 0.01 -0.46 -4.03 114.94 110.73 3i9h s ASN 55 Ca -0.13 -1.33 -0.12 0.00 -0.71 0.00 0.00 52.86 50.58 3i9h s ASN 55 Cb 0.16 0.14 0.04 0.00 0.41 0.00 0.00 41.25 42.00 3i9h s ASN 55 CO 0.79 -0.83 1.10 -0.62 -1.51 0.00 0.00 177.10 176.03 3i9h s ASP 56 N -4.02 4.71 -1.45 -1.22 2.15 -1.26 -3.68 116.67 111.90 3i9h s ASP 56 Ca 0.27 1.87 -0.05 0.00 0.43 0.00 0.00 52.55 55.08 3i9h s ASP 56 Cb 0.01 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 3i9h s ASP 56 CO 0.16 -1.90 0.63 0.59 -0.17 0.00 0.00 175.17 174.48 3i9h n ASN 57 N -3.17 -5.91 -3.62 -0.34 3.02 -1.26 -3.30 115.26 100.67 3i9h n ASN 57 Ca 0.09 -0.29 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 3i9h n ASN 57 Cb 0.53 -4.71 0.06 0.00 -0.61 0.00 0.00 39.78 35.05 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 -4.49 -2.31 -4.53 3.10 3.01 -1.25 -5.00 117.46 105.98 3i9h n PHE 58 Ca -0.10 0.93 -0.25 0.00 1.01 0.00 0.00 57.45 59.04 3i9h n PHE 58 Cb 0.61 -4.72 -0.09 0.00 -0.01 0.00 0.00 39.48 35.27 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 -3.42 0.88 0.00 4.37 -4.23 -1.21 -5.05 115.64 106.99 3i9h s THR 59 Ca 0.25 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3i9h s THR 59 Cb -0.12 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3i9h s THR 59 CO 0.77 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 3i9h n GLY 60 N -0.89 -2.09 3.77 3.99 0.00 -1.26 -1.36 105.19 107.35 3i9h n GLY 60 Ca -0.07 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.07 2.35 -0.16 2.61 2.01 -1.26 -4.60 115.64 116.51 3i9h s THR 61 Ca 0.00 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.34 3i9h s THR 61 Cb 0.00 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.32 3i9h s THR 61 CO 0.00 0.06 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.05 3i9h s LYS 62 N -2.15 3.05 -0.15 4.92 2.20 -1.26 0.20 119.74 126.54 3i9h s LYS 62 Ca 0.55 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 55.30 3i9h s LYS 62 Cb -0.42 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3i9h s LYS 62 CO 0.56 -0.10 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.83 3i9h s TRP 63 N 1.05 3.03 -0.14 4.03 0.51 0.11 -4.93 118.94 122.60 3i9h s TRP 63 Ca -0.01 -0.28 -0.04 0.00 -2.12 0.00 0.00 56.10 53.66 3i9h s TRP 63 Cb -0.14 -1.95 -0.03 0.00 -0.81 0.00 0.00 33.47 30.53 3i9h s TRP 63 CO -0.06 -0.02 -0.02 0.99 -0.51 0.00 0.00 176.95 177.33 3i9h s THR 64 N 0.32 4.06 -0.04 2.01 2.01 -1.26 -0.15 115.64 122.59 3i9h s THR 64 Ca -0.04 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.70 3i9h s THR 64 Cb -0.14 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 3i9h s THR 64 CO 0.03 0.51 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.99 3i9h s TYR 65 N 0.08 1.70 -0.07 4.92 1.51 -0.24 -4.98 117.35 120.27 3i9h s TYR 65 Ca 0.01 -0.45 0.11 0.00 -1.01 0.00 0.00 57.07 55.72 3i9h s TYR 65 Cb -0.13 -1.14 0.16 0.00 -0.11 0.00 0.00 41.96 40.74 3i9h s TYR 65 CO 0.02 -0.14 1.06 0.25 -1.11 0.00 0.00 175.55 175.64 3i9h n THR 66 N 3.03 1.17 -3.64 -0.71 -2.24 -1.26 -0.97 114.28 109.65 3i9h n THR 66 Ca -0.17 -1.38 -0.03 0.00 -2.27 0.00 0.00 64.05 60.20 3i9h n THR 66 Cb 0.53 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.00 -0.17 0.17 3.42 1.04 -1.26 -4.64 113.70 110.26 3i9h s SER 67 Ca 0.18 -0.19 -0.33 0.00 0.48 0.00 0.00 55.95 56.09 3i9h s SER 67 Cb 0.16 0.33 -0.16 0.00 0.10 0.00 0.00 66.02 66.44 3i9h s SER 67 CO 0.02 -0.58 1.14 0.47 0.98 0.00 0.00 173.24 175.27 3i9h n ASP 68 N -0.38 1.26 -3.68 7.02 10.43 -1.26 -4.30 116.55 125.65 3i9h n ASP 68 Ca -0.06 1.14 -0.29 0.00 2.57 0.00 0.00 54.79 58.15 3i9h n ASP 68 Cb 0.61 -1.21 -0.15 0.00 1.84 0.00 0.00 41.12 42.21 3i9h n ASP 68 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3i9h s THR 69 N -0.23 0.52 0.34 -3.53 2.01 0.81 -4.93 115.64 110.63 3i9h s THR 69 Ca 0.73 -0.99 0.23 0.00 0.31 0.00 0.00 61.69 61.96 3i9h s THR 69 Cb -0.86 -1.31 0.23 0.00 0.01 0.00 0.00 72.50 70.58 3i9h s THR 69 CO 0.53 -0.56 1.95 1.55 -0.69 0.00 0.00 174.62 177.40 3i9h h PRO 70 N 8.22 0.00 -3.00 4.92 0.13 -1.91 -1.95 132.00 138.41 3i9h h PRO 70 Ca -0.16 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.72 3i9h h PRO 70 Cb 1.04 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.84 3i9h h PRO 70 CO 0.43 0.21 -0.58 -0.46 -0.23 0.00 0.00 178.00 177.36 3i9h s TRP 71 N -4.07 -0.29 -0.39 1.56 -0.11 -1.26 -0.58 118.94 113.80 3i9h s TRP 71 Ca -0.02 0.76 0.25 0.00 1.22 0.00 0.00 56.10 58.31 3i9h s TRP 71 Cb 0.13 -0.13 0.51 0.00 -1.50 0.00 0.00 33.47 32.48 3i9h s TRP 71 CO 0.63 -0.29 1.67 -0.39 -4.62 0.00 0.00 176.95 173.95 3i9h h VAL 72 N 6.27 0.00 0.00 5.86 -1.51 -1.50 -3.49 116.25 121.88 3i9h h VAL 72 Ca -0.18 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 3i9h h VAL 72 Cb 1.12 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 3i9h h VAL 72 CO 0.18 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 3i9h n GLY 73 N 0.96 2.73 0.29 5.19 0.00 -1.26 -4.51 105.19 108.59 3i9h n GLY 73 Ca 0.04 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 0.02 -0.09 1.61 -0.26 -1.96 0.41 115.58 115.32 3i9h h ASN 74 Ca 0.00 -0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.54 3i9h h ASN 74 Cb 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3i9h h ASN 74 CO 0.00 0.02 -0.66 0.44 -1.06 0.00 0.00 177.43 176.16 3i9h h ASP 75 N 0.03 0.82 0.57 5.81 3.45 -2.04 -3.32 116.42 121.74 3i9h h ASP 75 Ca 0.06 -0.49 -0.06 0.00 0.43 0.00 0.00 57.03 56.96 3i9h h ASP 75 Cb 0.20 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3i9h h ASP 75 CO -0.00 1.27 -1.48 0.00 -1.57 0.00 0.00 179.24 177.45 3i9h n ALA 76 N -2.57 2.41 -1.66 3.45 0.00 -0.93 -4.91 120.51 116.31 3i9h n ALA 76 Ca -0.05 -0.46 -0.46 0.00 0.00 0.00 0.00 53.44 52.47 3i9h n ALA 76 Cb 0.68 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.60 2.82 -3.76 0.00 5.15 0.14 -2.62 115.26 114.39 3i9h n ASN 77 Ca -0.06 1.10 -0.25 0.00 -0.60 0.00 0.00 54.58 54.78 3i9h n ASN 77 Cb 0.66 -1.40 0.04 0.00 -0.53 0.00 0.00 39.78 38.55 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 2.94 -2.98 0.00 1.20 8.00 -0.88 -4.88 116.55 119.94 3i9h n ASP 78 Ca 0.15 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.88 3i9h n ASP 78 Cb 0.29 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 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 -4.48 -0.25 -2.19 -1.24 5.02 -1.08 -4.45 118.16 109.49 3i9h n LYS 79 Ca -0.15 -0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 55.57 3i9h n LYS 79 Cb 0.61 -0.63 -0.03 0.00 -0.02 0.00 0.00 35.03 34.96 3i9h n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3i9h s MET 80 N -0.00 4.21 0.00 1.97 1.75 -1.26 -4.22 119.30 121.75 3i9h s MET 80 Ca 0.00 1.96 0.00 0.00 -1.25 0.00 0.00 55.69 56.40 3i9h s MET 80 Cb 0.00 -3.84 0.00 0.00 2.84 0.00 0.00 34.83 33.83 3i9h s MET 80 CO 0.00 -0.76 0.00 2.41 -0.65 0.00 0.00 175.02 176.02 3i9h n THR 81 N 5.32 0.00 -3.71 10.11 -1.04 -0.79 -2.31 114.28 121.86 3i9h n THR 81 Ca 0.15 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.07 3i9h n THR 81 Cb 0.44 -0.11 -0.05 0.00 -1.82 0.00 0.00 70.33 68.79 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 -2.35 -0.12 -0.17 8.00 1.04 -1.21 -2.06 113.70 116.82 3i9h s SER 82 Ca 0.00 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 55.72 3i9h s SER 82 Cb 0.00 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.63 3i9h s SER 82 CO 0.00 -0.82 0.75 0.54 0.98 0.00 0.00 173.24 174.69 3i9h s VAL 83 N -3.83 0.00 -0.08 5.02 0.11 -0.43 -1.09 120.40 120.11 3i9h s VAL 83 Ca 0.04 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 3i9h s VAL 83 Cb 0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3i9h s VAL 83 CO -0.11 0.00 -0.18 -0.54 -3.33 0.00 0.00 175.10 170.94 3i9h s LYS 84 N -0.42 2.80 -0.10 1.54 1.02 -0.48 -0.67 119.74 123.42 3i9h s LYS 84 Ca -0.05 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.21 3i9h s LYS 84 Cb -0.03 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 3i9h s LYS 84 CO 0.04 0.41 -0.19 0.42 -0.92 0.00 0.00 175.35 175.11 3i9h s ILE 85 N -0.19 1.74 0.06 2.17 1.01 0.13 -0.81 121.20 125.31 3i9h s ILE 85 Ca -0.01 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.91 3i9h s ILE 85 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3i9h s ILE 85 CO 0.03 0.49 -0.23 -0.31 0.00 0.00 0.00 174.94 174.92 3i9h s TYR 86 N 0.66 1.98 -0.53 3.97 1.51 0.04 -0.91 117.35 124.07 3i9h s TYR 86 Ca -0.13 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 3i9h s TYR 86 Cb -0.16 -1.16 0.33 0.00 -0.11 0.00 0.00 41.96 40.86 3i9h s TYR 86 CO 0.03 0.14 1.13 0.43 -1.11 0.00 0.00 175.55 176.18 3i9h n SER 87 N 1.64 3.10 0.00 2.29 7.64 -1.26 -1.08 113.62 125.94 3i9h n SER 87 Ca -0.17 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.23 3i9h n SER 87 Cb 0.53 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38