#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9h n ALA 3 N 0.00 -1.29 -2.72 0.58 0.00 -1.26 -4.97 120.51 110.85 3i9h n ALA 3 Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 3i9h n ALA 3 Cb 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 3i9h n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i9h s VAL 4 N -2.37 5.26 -0.14 0.00 1.01 -0.85 -4.34 120.40 118.97 3i9h s VAL 4 Ca 0.11 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 3i9h s VAL 4 Cb -0.03 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3i9h s VAL 4 CO 0.07 0.36 -0.10 -0.89 0.00 0.00 0.00 175.10 174.54 3i9h s THR 5 N 0.59 3.26 -0.11 3.92 2.01 -0.76 -0.27 115.64 124.29 3i9h s THR 5 Ca 0.20 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 3i9h s THR 5 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 3i9h s THR 5 CO 0.06 0.51 0.04 -0.36 -0.69 0.00 0.00 174.62 174.18 3i9h s PHE 6 N 0.43 3.25 0.07 4.92 0.40 0.20 -1.03 117.98 126.22 3i9h s PHE 6 Ca -0.08 0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.54 3i9h s PHE 6 Cb -0.15 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 3i9h s PHE 6 CO 0.04 0.44 -0.19 0.71 0.70 0.00 0.00 175.22 176.93 3i9h s TYR 7 N -0.64 2.53 0.07 0.36 1.51 0.01 -1.64 117.35 119.54 3i9h s TYR 7 Ca 0.11 -0.27 -0.20 0.00 -1.01 0.00 0.00 57.07 55.70 3i9h s TYR 7 Cb -0.12 -1.42 -0.11 0.00 -0.11 0.00 0.00 41.96 40.20 3i9h s TYR 7 CO 0.02 0.29 1.49 1.49 -1.11 0.00 0.00 175.55 177.73 3i9h h GLU 8 N 4.30 0.33 -6.11 -0.62 4.81 -0.81 -2.30 114.58 114.19 3i9h h GLU 8 Ca -0.48 -0.11 -0.53 0.00 -0.13 0.00 0.00 59.36 58.11 3i9h h GLU 8 Cb 1.16 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3i9h h GLU 8 CO 0.47 0.55 -0.34 -0.51 -0.73 0.00 0.00 179.01 178.45 3i9h s ASP 9 N -5.86 4.86 0.60 1.04 1.01 0.15 -4.06 116.67 114.41 3i9h s ASP 9 Ca -0.14 -0.95 -0.19 0.00 0.71 0.00 0.00 52.55 51.98 3i9h s ASP 9 Cb 0.06 -0.17 -0.03 0.00 1.01 0.00 0.00 42.92 43.79 3i9h s ASP 9 CO 0.73 -0.85 1.26 -0.51 0.21 0.00 0.00 175.17 176.01 3i9h s ILE 10 N -2.60 2.33 -1.37 0.77 -1.16 -1.26 -3.25 121.20 114.66 3i9h s ILE 10 Ca 0.44 0.21 -0.03 0.00 -0.51 0.00 0.00 60.65 60.76 3i9h s ILE 10 Cb -0.02 -3.09 0.02 0.00 0.61 0.00 0.00 42.46 39.98 3i9h s ILE 10 CO 0.26 -0.04 0.72 -3.20 -2.81 0.00 0.00 174.94 169.88 3i9h n ASN 11 N -1.61 -1.79 -2.82 4.50 5.15 0.11 -2.90 115.26 115.91 3i9h n ASN 11 Ca 0.14 -0.83 -0.21 0.00 -0.60 0.00 0.00 54.58 53.07 3i9h n ASN 11 Cb 0.48 -3.90 0.03 0.00 -0.53 0.00 0.00 39.78 35.86 3i9h n ASN 11 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3i9h n TYR 12 N -4.37 -1.82 -3.36 1.20 0.53 -1.23 -5.01 117.16 103.09 3i9h n TYR 12 Ca -0.23 0.47 -0.20 0.00 -1.02 0.00 0.00 57.90 56.92 3i9h n TYR 12 Cb 0.65 -4.30 0.00 0.00 -1.03 0.00 0.00 39.34 34.66 3i9h n TYR 12 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3i9h s GLY 13 N -2.70 2.05 0.03 2.72 0.00 -1.14 -4.96 107.32 103.32 3i9h s GLY 13 Ca 0.27 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3i9h s GLY 13 CO 0.34 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.37 3i9h n GLY 14 N -1.79 -1.42 3.55 0.20 0.00 -1.26 -0.67 105.19 103.80 3i9h n GLY 14 Ca 0.06 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3i9h n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9h n ALA 15 N -0.22 -1.50 -2.94 4.61 0.00 -1.26 -4.56 120.51 114.65 3i9h n ALA 15 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 3i9h n ALA 15 Cb 0.05 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 3i9h n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i9h s SER 16 N -2.23 -0.08 -0.08 0.00 1.04 -1.26 -0.64 113.70 110.45 3i9h s SER 16 Ca 0.64 -0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 3i9h s SER 16 Cb -0.24 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.26 3i9h s SER 16 CO 0.61 -0.63 0.19 -0.69 0.98 0.00 0.00 173.24 173.70 3i9h s VAL 17 N -2.73 -0.03 -0.10 5.02 1.01 -0.65 -4.99 120.40 117.93 3i9h s VAL 17 Ca -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 3i9h s VAL 17 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3i9h s VAL 17 CO -0.05 0.04 0.03 -0.44 0.00 0.00 0.00 175.10 174.68 3i9h s SER 18 N 0.81 5.43 0.10 3.32 0.01 -1.26 -0.63 113.70 121.48 3i9h s SER 18 Ca -0.06 0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.44 3i9h s SER 18 Cb -0.07 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 3i9h s SER 18 CO -0.05 0.36 -0.14 -0.76 0.41 0.00 0.00 173.24 173.07 3i9h s LEU 19 N -0.77 2.36 0.62 2.44 1.43 0.63 -4.97 118.68 120.41 3i9h s LEU 19 Ca 0.12 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 3i9h s LEU 19 Cb -0.12 -0.52 0.06 0.00 0.03 0.00 0.00 46.19 45.64 3i9h s LEU 19 CO 0.02 -0.13 0.87 -1.10 0.23 0.00 0.00 176.35 176.24 3i9h s GLN 20 N -2.33 2.30 0.49 1.70 -1.52 -1.26 -2.00 119.66 117.05 3i9h s GLN 20 Ca 0.05 -0.73 -0.23 0.00 -1.95 0.00 0.00 55.36 52.49 3i9h s GLN 20 Cb -0.07 -2.39 -0.07 0.00 -0.22 0.00 0.00 33.01 30.26 3i9h s GLN 20 CO 0.02 -0.96 1.33 -2.30 -0.25 0.00 0.00 175.29 173.13 3i9h n PRO 21 N -2.56 1.86 -3.76 2.91 -0.02 -1.26 -4.84 135.00 127.33 3i9h n PRO 21 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3i9h n PRO 21 Cb 0.60 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.75 -1.82 3.00 -1.23 0.00 -0.20 -4.95 105.19 100.74 3i9h n GLY 22 Ca 0.08 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.45 4.31 -0.20 1.61 0.01 -1.26 -0.32 114.94 116.64 3i9h s ASN 23 Ca 0.00 -1.52 -0.07 0.00 -0.71 0.00 0.00 52.86 50.57 3i9h s ASN 23 Cb 0.00 -1.41 -0.03 0.00 0.41 0.00 0.00 41.25 40.22 3i9h s ASN 23 CO 0.00 -0.26 0.04 -0.31 -1.51 0.00 0.00 177.10 175.06 3i9h s TYR 24 N 1.18 3.14 0.68 2.20 1.51 0.38 -4.99 117.35 121.45 3i9h s TYR 24 Ca -0.02 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 3i9h s TYR 24 Cb -0.19 -2.11 0.06 0.00 -0.11 0.00 0.00 41.96 39.61 3i9h s TYR 24 CO -0.07 -0.07 0.98 0.95 -1.11 0.00 0.00 175.55 176.23 3i9h s THR 25 N 0.81 2.33 0.14 -0.71 -4.23 -1.26 -1.23 115.64 111.49 3i9h s THR 25 Ca 0.02 -0.34 -0.21 0.00 -1.18 0.00 0.00 61.69 59.99 3i9h s THR 25 Cb -0.14 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.73 3i9h s THR 25 CO 0.02 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.02 3i9h h LEU 26 N -0.51 -0.46 -1.32 4.79 7.12 -1.75 0.92 115.31 124.10 3i9h h LEU 26 Ca -0.44 0.10 0.02 0.00 0.13 0.00 0.00 57.88 57.69 3i9h h LEU 26 Cb 1.31 0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.65 3i9h h LEU 26 CO 0.58 -0.18 0.47 0.77 -0.13 0.00 0.00 178.44 179.95 3i9h h SER 27 N -0.13 0.79 0.28 1.25 4.64 -1.95 0.47 113.55 118.90 3i9h h SER 27 Ca 0.13 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 3i9h h SER 27 Cb 0.32 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3i9h h SER 27 CO -0.31 0.56 -0.55 1.56 -0.87 0.00 0.00 176.83 177.22 3i9h h GLN 28 N 0.92 0.29 -0.32 4.77 4.20 -1.71 -1.00 115.11 122.26 3i9h h GLN 28 Ca 0.27 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 3i9h h GLN 28 Cb -0.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3i9h h GLN 28 CO -0.06 0.76 -0.45 -0.07 -0.67 0.00 0.00 178.83 178.34 3i9h h LEU 29 N 0.22 0.89 -1.01 1.46 3.38 0.17 -2.18 115.31 118.24 3i9h h LEU 29 Ca 0.00 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3i9h h LEU 29 Cb 1.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3i9h h LEU 29 CO 0.09 1.20 0.11 0.78 0.09 0.00 0.00 178.44 180.71 3i9h h ASN 30 N 0.66 0.77 -0.73 -0.43 2.35 -0.70 0.45 115.58 117.95 3i9h h ASN 30 Ca 0.04 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3i9h h ASN 30 Cb 1.03 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 3i9h h ASN 30 CO 0.10 0.77 0.38 0.74 -1.65 0.00 0.00 177.43 177.77 3i9h h THR 31 N 0.79 1.23 -0.02 2.81 2.02 -0.94 -1.21 112.91 117.60 3i9h h THR 31 Ca 0.17 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3i9h h THR 31 Cb 0.32 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3i9h h THR 31 CO 0.00 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.15 3i9h n ALA 32 N -2.36 2.53 -1.60 6.16 0.00 -0.82 -4.84 120.51 119.58 3i9h n ALA 32 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3i9h n ALA 32 Cb 0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.13 -0.77 -3.63 0.00 4.76 -0.46 -4.92 118.16 113.00 3i9h n LYS 33 Ca 0.01 0.76 -0.40 0.00 -2.87 0.00 0.00 58.31 55.81 3i9h n LYS 33 Cb 0.19 -4.75 -0.11 0.00 -1.84 0.00 0.00 35.03 28.52 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 -2.44 4.33 0.83 -0.18 1.01 0.15 -4.95 121.20 119.95 3i9h s ILE 34 Ca 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 3i9h s ILE 34 Cb 0.00 -3.46 0.09 0.00 0.01 0.00 0.00 42.46 39.10 3i9h s ILE 34 CO 0.00 -0.27 1.12 -2.84 0.00 0.00 0.00 174.94 172.95 3i9h s PRO 35 N 1.50 1.72 0.69 2.79 0.02 -1.26 -2.85 135.00 137.60 3i9h s PRO 35 Ca 0.01 1.38 -0.13 0.00 0.02 0.00 0.00 61.00 62.28 3i9h s PRO 35 Cb -0.20 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3i9h s PRO 35 CO 0.05 -2.08 1.08 1.21 -0.33 0.00 0.00 177.00 176.92 3i9h s ASN 36 N -2.97 5.18 -0.83 2.53 3.84 -1.26 -3.73 114.94 117.70 3i9h s ASN 36 Ca 0.65 1.79 -0.23 0.00 0.21 0.00 0.00 52.86 55.28 3i9h s ASN 36 Cb -0.20 -2.52 0.03 0.00 -0.55 0.00 0.00 41.25 38.01 3i9h s ASN 36 CO 0.56 -1.58 0.47 0.47 -2.79 0.00 0.00 177.10 174.23 3i9h n ASP 37 N -2.85 -2.90 0.00 -4.21 8.00 -0.92 -4.81 116.55 108.86 3i9h n ASP 37 Ca 0.09 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3i9h n ASP 37 Cb 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 -3.70 0.00 -2.32 1.24 -0.00 -1.24 -4.62 117.44 106.80 3i9h n TRP 38 Ca -0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.00 3i9h n TRP 38 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.68 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 -1.34 4.47 0.00 5.87 1.75 -1.26 -4.54 119.30 124.24 3i9h s MET 39 Ca 0.00 1.94 0.00 0.00 -1.25 0.00 0.00 55.69 56.38 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 -0.12 0.00 2.41 -0.65 0.00 0.00 175.02 176.66 3i9h n THR 40 N 2.31 0.00 -3.87 10.11 -1.04 -0.87 -1.98 114.28 118.94 3i9h n THR 40 Ca 0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.96 3i9h n THR 40 Cb 0.44 -0.62 -0.08 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.30 0.14 0.09 8.00 1.04 -1.23 -1.92 113.70 117.52 3i9h s SER 41 Ca 0.00 -0.64 -0.19 0.00 0.48 0.00 0.00 55.95 55.60 3i9h s SER 41 Cb 0.00 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3i9h s SER 41 CO 0.00 -0.70 0.44 -1.48 0.98 0.00 0.00 173.24 172.49 3i9h s LEU 42 N -2.77 0.23 -0.14 2.42 2.34 -0.63 -0.81 118.68 119.32 3i9h s LEU 42 Ca 0.04 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.14 3i9h s LEU 42 Cb 0.04 1.93 -0.01 0.00 -0.56 0.00 0.00 46.19 47.59 3i9h s LEU 42 CO -0.10 -0.77 -0.15 -0.54 -1.06 0.00 0.00 176.35 173.73 3i9h s LYS 43 N -3.10 3.27 -0.11 1.48 1.02 -0.19 0.05 119.74 122.15 3i9h s LYS 43 Ca -0.01 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3i9h s LYS 43 Cb 0.00 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3i9h s LYS 43 CO -0.07 0.10 -0.18 0.08 -0.92 0.00 0.00 175.35 174.36 3i9h s VAL 44 N 0.63 1.69 0.84 3.17 1.01 -1.26 -1.83 120.40 124.64 3i9h s VAL 44 Ca -0.08 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3i9h s VAL 44 Cb -0.16 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.81 3i9h s VAL 44 CO 0.03 0.48 1.18 -2.84 0.00 0.00 0.00 175.10 173.95 3i9h s PRO 45 N 0.83 1.45 0.24 2.72 0.02 -1.26 -4.06 135.00 134.94 3i9h s PRO 45 Ca -0.09 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.31 3i9h s PRO 45 Cb -0.16 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 3i9h s PRO 45 CO 0.00 -2.34 1.38 -1.12 -0.33 0.00 0.00 177.00 174.60 3i9h s SER 46 N -2.35 6.75 0.00 2.53 0.01 -1.26 -2.45 113.70 116.93 3i9h s SER 46 Ca 0.71 2.57 0.00 0.00 1.31 0.00 0.00 55.95 60.54 3i9h s SER 46 Cb -0.26 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.35 3i9h s SER 46 CO 0.53 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.17 3i9h n GLY 47 N 2.16 3.04 3.82 3.44 0.00 -1.26 -5.02 105.19 111.37 3i9h n GLY 47 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.89 3.27 -0.02 1.61 0.52 -1.02 -3.96 118.94 117.44 3i9h s TRP 48 Ca 0.00 1.51 0.02 0.00 0.02 0.00 0.00 56.10 57.65 3i9h s TRP 48 Cb 0.00 -2.88 0.01 0.00 -1.15 0.00 0.00 33.47 29.44 3i9h s TRP 48 CO 0.00 -0.58 -0.06 0.95 0.02 0.00 0.00 176.95 177.28 3i9h s THR 49 N -2.46 0.57 -0.17 2.01 -4.23 -1.02 -4.52 115.64 105.83 3i9h s THR 49 Ca 0.61 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 3i9h s THR 49 Cb -0.12 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.22 3i9h s THR 49 CO 0.29 0.19 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.70 3i9h s VAL 50 N 0.24 1.86 -0.44 2.29 1.01 0.61 -1.86 120.40 124.11 3i9h s VAL 50 Ca -0.03 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 3i9h s VAL 50 Cb -0.07 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.62 3i9h s VAL 50 CO 0.00 0.47 0.38 -1.81 0.00 0.00 0.00 175.10 174.14 3i9h s ASP 51 N 1.36 6.15 -0.19 3.32 1.01 -0.11 -1.07 116.67 127.14 3i9h s ASP 51 Ca 0.04 -1.00 -0.18 0.00 0.71 0.00 0.00 52.55 52.12 3i9h s ASP 51 Cb -0.13 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 3i9h s ASP 51 CO -0.12 -0.57 0.49 -0.69 0.21 0.00 0.00 175.17 174.49 3i9h s VAL 52 N 1.81 5.14 -0.09 -1.27 1.01 0.82 -1.26 120.40 126.55 3i9h s VAL 52 Ca 0.07 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 3i9h s VAL 52 Cb -0.20 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3i9h s VAL 52 CO 0.10 0.21 -0.01 -0.31 0.00 0.00 0.00 175.10 175.09 3i9h s TYR 53 N 1.43 3.12 0.21 5.22 1.51 -0.36 -0.43 117.35 128.05 3i9h s TYR 53 Ca 0.23 0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.33 3i9h s TYR 53 Cb -0.15 -1.79 0.16 0.00 -0.11 0.00 0.00 41.96 40.07 3i9h s TYR 53 CO 0.09 0.41 1.82 1.49 -1.11 0.00 0.00 175.55 178.25 3i9h h GLU 54 N 5.31 1.11 -5.79 -0.62 4.81 -0.79 -2.26 114.58 116.35 3i9h h GLU 54 Ca -0.49 -0.14 -0.60 0.00 -0.13 0.00 0.00 59.36 58.00 3i9h h GLU 54 Cb 1.19 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 3i9h h GLU 54 CO 0.55 0.84 -0.36 -0.80 -0.73 0.00 0.00 179.01 178.50 3i9h s ASN 55 N -6.14 4.53 0.82 1.04 0.01 -0.38 -4.08 114.94 110.74 3i9h s ASN 55 Ca -0.13 -1.29 -0.11 0.00 -0.71 0.00 0.00 52.86 50.61 3i9h s ASN 55 Cb 0.15 0.33 0.08 0.00 0.41 0.00 0.00 41.25 42.22 3i9h s ASN 55 CO 0.81 -0.99 1.09 -0.62 -1.51 0.00 0.00 177.10 175.88 3i9h s ASP 56 N -4.17 4.24 -1.46 -1.22 2.15 -1.26 -3.64 116.67 111.32 3i9h s ASP 56 Ca 0.30 1.39 -0.08 0.00 0.43 0.00 0.00 52.55 54.58 3i9h s ASP 56 Cb -0.01 -2.11 0.04 0.00 -0.30 0.00 0.00 42.92 40.54 3i9h s ASP 56 CO 0.18 -2.14 0.75 0.59 -0.17 0.00 0.00 175.17 174.38 3i9h n ASN 57 N -3.55 -5.31 -3.66 -0.34 3.02 -1.26 -3.00 115.26 101.17 3i9h n ASN 57 Ca 0.07 -0.45 -0.21 0.00 -0.03 0.00 0.00 54.58 53.96 3i9h n ASN 57 Cb 0.56 -4.28 0.04 0.00 -0.61 0.00 0.00 39.78 35.49 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 -1.95 -4.36 3.10 3.01 -1.26 -5.01 117.46 106.51 3i9h n PHE 58 Ca -0.04 0.83 -0.18 0.00 1.01 0.00 0.00 57.45 59.07 3i9h n PHE 58 Cb 0.57 -4.41 -0.10 0.00 -0.01 0.00 0.00 39.48 35.53 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 -3.63 0.66 0.00 4.37 -4.23 -1.16 -5.05 115.64 106.60 3i9h s THR 59 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3i9h s THR 59 Cb -0.01 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.19 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 -0.55 -1.96 3.76 3.99 0.00 -1.26 -1.25 105.19 107.93 3i9h n GLY 60 Ca -0.01 -1.59 -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 0.00 2.19 -0.13 2.61 2.01 -1.26 -4.64 115.64 116.41 3i9h s THR 61 Ca 0.00 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.19 3i9h s THR 61 Cb 0.00 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.42 3i9h s THR 61 CO 0.00 0.02 -0.22 -0.75 -0.69 0.00 0.00 174.62 172.98 3i9h s LYS 62 N -2.48 2.97 -0.16 4.92 2.20 -1.26 -0.38 119.74 125.55 3i9h s LYS 62 Ca 0.62 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 3i9h s LYS 62 Cb -0.42 -2.38 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3i9h s LYS 62 CO 0.53 0.00 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.88 3i9h s TRP 63 N 0.78 2.94 -0.18 4.03 0.51 0.42 -4.93 118.94 122.52 3i9h s TRP 63 Ca -0.08 -0.54 -0.04 0.00 -2.12 0.00 0.00 56.10 53.31 3i9h s TRP 63 Cb -0.16 -1.96 -0.03 0.00 -0.81 0.00 0.00 33.47 30.52 3i9h s TRP 63 CO -0.01 -0.20 -0.02 0.99 -0.51 0.00 0.00 176.95 177.20 3i9h s THR 64 N 0.62 3.91 -0.03 2.01 2.01 -1.26 -0.13 115.64 122.77 3i9h s THR 64 Ca -0.04 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 61.69 3i9h s THR 64 Cb -0.15 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 3i9h s THR 64 CO 0.03 0.46 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.86 3i9h s TYR 65 N 0.73 2.22 -0.04 4.92 1.51 -0.24 -4.96 117.35 121.50 3i9h s TYR 65 Ca -0.01 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 3i9h s TYR 65 Cb -0.14 -1.44 0.08 0.00 -0.11 0.00 0.00 41.96 40.35 3i9h s TYR 65 CO 0.02 -0.08 0.95 0.25 -1.11 0.00 0.00 175.55 175.58 3i9h n THR 66 N 2.61 0.94 -3.75 -0.71 -2.24 -1.26 -0.28 114.28 109.59 3i9h n THR 66 Ca -0.16 -1.05 -0.07 0.00 -2.27 0.00 0.00 64.05 60.50 3i9h n THR 66 Cb 0.52 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.35 -0.29 0.31 3.42 1.04 -1.26 -4.67 113.70 110.89 3i9h s SER 67 Ca 0.09 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 3i9h s SER 67 Cb 0.08 0.63 -0.13 0.00 0.10 0.00 0.00 66.02 66.70 3i9h s SER 67 CO 0.01 -1.13 1.22 0.47 0.98 0.00 0.00 173.24 174.79 3i9h n ASP 68 N -0.44 2.29 -3.70 7.02 10.43 -1.26 -4.31 116.55 126.58 3i9h n ASP 68 Ca -0.07 1.19 -0.27 0.00 2.57 0.00 0.00 54.79 58.21 3i9h n ASP 68 Cb 0.60 -1.41 -0.17 0.00 1.84 0.00 0.00 41.12 41.99 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 -0.91 0.31 -0.30 -3.53 2.01 0.11 -4.93 115.64 108.41 3i9h s THR 69 Ca 0.59 -0.40 0.28 0.00 0.31 0.00 0.00 61.69 62.47 3i9h s THR 69 Cb -0.63 -0.86 0.32 0.00 0.01 0.00 0.00 72.50 71.34 3i9h s THR 69 CO 0.59 -0.21 1.81 1.55 -0.69 0.00 0.00 174.62 177.67 3i9h h PRO 70 N 8.31 0.00 -2.21 4.92 0.13 -1.91 -1.67 132.00 139.55 3i9h h PRO 70 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3i9h h PRO 70 Cb 1.13 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.03 3i9h h PRO 70 CO 0.32 0.00 -0.20 -0.46 -0.23 0.00 0.00 178.00 177.42 3i9h s TRP 71 N -3.41 -1.09 -1.99 1.56 -0.00 -1.26 0.10 118.94 112.86 3i9h s TRP 71 Ca 0.04 1.98 0.30 0.00 -0.00 0.00 0.00 56.10 58.42 3i9h s TRP 71 Cb 0.09 0.59 1.43 0.00 -0.00 0.00 0.00 33.47 35.58 3i9h s TRP 71 CO 0.50 -0.57 1.96 1.33 -0.00 0.00 0.00 176.95 180.17 3i9h n VAL 72 N 5.23 0.00 0.00 5.86 0.24 -0.81 -5.02 118.33 123.84 3i9h n VAL 72 Ca -0.12 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3i9h n VAL 72 Cb 0.51 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 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 1.15 -0.79 0.38 7.63 0.00 -1.26 -3.97 105.19 108.33 3i9h n GLY 73 Ca 0.19 -1.41 0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -0.15 1.61 4.21 -1.95 0.12 115.58 119.42 3i9h h ASN 74 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 3i9h h ASN 74 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3i9h h ASN 74 CO 0.00 0.00 -0.23 0.44 -1.29 0.00 0.00 177.43 176.35 3i9h h ASP 75 N 0.00 0.46 0.13 5.81 3.45 -2.03 -3.30 116.42 120.94 3i9h h ASP 75 Ca 0.17 -0.53 0.00 0.00 0.43 0.00 0.00 57.03 57.10 3i9h h ASP 75 Cb 1.04 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 3i9h h ASP 75 CO -0.00 0.90 -0.46 0.00 -1.57 0.00 0.00 179.24 178.11 3i9h n ALA 76 N -2.46 3.52 -1.83 3.45 0.00 -0.66 -4.94 120.51 117.59 3i9h n ALA 76 Ca -0.06 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 3i9h n ALA 76 Cb 0.43 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 3i9h n ALA 76 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i9h s ASN 77 N -2.60 6.50 -1.38 0.00 2.47 -0.06 -3.11 114.94 116.76 3i9h s ASN 77 Ca 0.19 2.78 -0.05 0.00 0.42 0.00 0.00 52.86 56.20 3i9h s ASN 77 Cb 0.18 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.39 3i9h s ASN 77 CO 0.60 -0.84 0.79 0.47 -3.72 0.00 0.00 177.10 174.40 3i9h n ASP 78 N 2.92 -2.43 0.00 -4.21 8.00 -0.84 -4.88 116.55 115.12 3i9h n ASP 78 Ca 0.10 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3i9h n ASP 78 Cb 0.38 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 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 -4.43 0.30 -2.00 -1.24 5.02 -1.18 -4.42 118.16 110.21 3i9h n LYS 79 Ca -0.18 -0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 3i9h n LYS 79 Cb 0.63 -0.52 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 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 -0.07 4.23 0.00 1.97 1.75 -1.26 -4.31 119.30 121.61 3i9h s MET 80 Ca 0.00 2.25 0.00 0.00 -1.25 0.00 0.00 55.69 56.69 3i9h s MET 80 Cb 0.00 -3.47 0.00 0.00 2.84 0.00 0.00 34.83 34.20 3i9h s MET 80 CO 0.00 -0.65 0.00 2.41 -0.65 0.00 0.00 175.02 176.13 3i9h n THR 81 N 4.49 0.00 -3.58 10.11 -1.04 -0.85 -2.17 114.28 121.23 3i9h n THR 81 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.04 3i9h n THR 81 Cb 0.41 0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 69.12 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 -1.38 -0.35 -0.08 8.00 1.04 -1.21 -1.85 113.70 117.87 3i9h s SER 82 Ca 0.00 -0.13 -0.28 0.00 0.48 0.00 0.00 55.95 56.02 3i9h s SER 82 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 3i9h s SER 82 CO 0.00 -0.84 0.65 0.54 0.98 0.00 0.00 173.24 174.57 3i9h s VAL 83 N -3.43 0.01 -0.08 5.02 0.11 -0.37 -1.22 120.40 120.43 3i9h s VAL 83 Ca 0.00 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 3i9h s VAL 83 Cb 0.01 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.90 3i9h s VAL 83 CO -0.10 -0.02 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.87 3i9h s LYS 84 N -0.93 2.80 -0.16 1.54 1.02 -0.39 -0.47 119.74 123.15 3i9h s LYS 84 Ca -0.09 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.04 3i9h s LYS 84 Cb -0.01 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 3i9h s LYS 84 CO 0.08 0.25 -0.19 0.42 -0.92 0.00 0.00 175.35 174.99 3i9h s ILE 85 N 0.16 1.92 0.17 2.17 1.01 0.56 -0.93 121.20 126.25 3i9h s ILE 85 Ca -0.13 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.75 3i9h s ILE 85 Cb -0.16 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3i9h s ILE 85 CO 0.07 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.07 3i9h s TYR 86 N 1.25 2.55 -2.07 3.97 1.51 -0.78 -1.03 117.35 122.75 3i9h s TYR 86 Ca 0.03 -0.25 0.28 0.00 -1.01 0.00 0.00 57.07 56.11 3i9h s TYR 86 Cb -0.13 -1.28 0.99 0.00 -0.11 0.00 0.00 41.96 41.43 3i9h s TYR 86 CO -0.10 0.48 1.71 0.43 -1.11 0.00 0.00 175.55 176.96 3i9h n SER 87 N 0.27 1.11 -0.49 2.29 7.64 -1.26 -2.42 113.62 120.77 3i9h n SER 87 Ca -0.12 -1.12 0.06 0.00 1.01 0.00 0.00 58.87 58.70 3i9h n SER 87 Cb 0.55 0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.84 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38