#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9h s LYS 2 N 0.00 2.15 0.09 -2.82 -0.14 -1.26 -5.17 119.74 112.59 3i9h s LYS 2 Ca 0.00 -2.37 -0.17 0.00 -1.36 0.00 0.00 55.97 52.07 3i9h s LYS 2 Cb 0.00 -1.26 0.04 0.00 -1.68 0.00 0.00 37.83 34.93 3i9h s LYS 2 CO 0.00 -0.42 0.41 0.00 -0.76 0.00 0.00 175.35 174.57 3i9h s ALA 3 N -2.97 -0.96 0.04 5.17 0.00 -1.26 -4.81 121.76 116.96 3i9h s ALA 3 Ca 0.09 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 3i9h s ALA 3 Cb 0.01 0.55 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 3i9h s ALA 3 CO 0.05 -0.57 0.46 0.08 0.00 0.00 0.00 175.76 175.79 3i9h s VAL 4 N -3.26 4.95 -0.15 0.00 1.01 -0.44 -4.56 120.40 117.94 3i9h s VAL 4 Ca -0.00 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.91 3i9h s VAL 4 Cb 0.01 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3i9h s VAL 4 CO -0.08 0.53 -0.21 -0.89 0.00 0.00 0.00 175.10 174.45 3i9h s THR 5 N -1.14 2.09 -0.14 3.92 2.01 -0.96 -0.86 115.64 120.57 3i9h s THR 5 Ca 0.27 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.23 3i9h s THR 5 Cb -0.17 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3i9h s THR 5 CO 0.16 0.55 0.13 -0.36 -0.69 0.00 0.00 174.62 174.40 3i9h s PHE 6 N 0.93 3.54 0.07 4.92 0.40 0.31 -1.22 117.98 126.94 3i9h s PHE 6 Ca -0.04 0.47 0.09 0.00 -0.60 0.00 0.00 56.93 56.85 3i9h s PHE 6 Cb -0.15 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 3i9h s PHE 6 CO -0.05 0.62 -0.22 0.71 0.70 0.00 0.00 175.22 176.99 3i9h s TYR 7 N -0.67 2.46 0.15 0.36 1.51 0.13 -1.45 117.35 119.83 3i9h s TYR 7 Ca 0.13 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 3i9h s TYR 7 Cb -0.12 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 3i9h s TYR 7 CO 0.02 0.26 1.59 1.49 -1.11 0.00 0.00 175.55 177.80 3i9h h GLU 8 N 4.36 0.91 -5.68 -0.62 4.81 -0.76 -1.71 114.58 115.90 3i9h h GLU 8 Ca -0.48 -0.32 -0.61 0.00 -0.13 0.00 0.00 59.36 57.82 3i9h h GLU 8 Cb 1.16 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 3i9h h GLU 8 CO 0.45 0.97 -0.52 -0.51 -0.73 0.00 0.00 179.01 178.66 3i9h s ASP 9 N -6.47 4.18 0.73 1.04 1.01 0.16 -3.88 116.67 113.45 3i9h s ASP 9 Ca -0.12 -1.31 -0.15 0.00 0.71 0.00 0.00 52.55 51.67 3i9h s ASP 9 Cb 0.12 -0.19 0.04 0.00 1.01 0.00 0.00 42.92 43.90 3i9h s ASP 9 CO 0.84 -0.61 1.23 -0.51 0.21 0.00 0.00 175.17 176.33 3i9h s ILE 10 N -2.71 2.14 -1.61 0.77 -1.16 -1.26 -2.89 121.20 114.48 3i9h s ILE 10 Ca 0.31 0.07 -0.04 0.00 -0.51 0.00 0.00 60.65 60.49 3i9h s ILE 10 Cb 0.05 -2.71 0.00 0.00 0.61 0.00 0.00 42.46 40.41 3i9h s ILE 10 CO 0.17 -0.03 0.50 -3.20 -2.81 0.00 0.00 174.94 169.56 3i9h n ASN 11 N -2.66 -6.13 -3.73 4.50 2.85 0.31 -2.66 115.26 107.75 3i9h n ASN 11 Ca 0.14 -0.24 -0.26 0.00 -0.11 0.00 0.00 54.58 54.11 3i9h n ASN 11 Cb 0.50 -4.98 0.06 0.00 1.24 0.00 0.00 39.78 36.60 3i9h n ASN 11 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3i9h n TYR 12 N -4.43 -2.60 -3.34 1.20 4.02 -1.18 -4.99 117.16 105.84 3i9h n TYR 12 Ca -0.14 0.97 -0.19 0.00 -0.01 0.00 0.00 57.90 58.53 3i9h n TYR 12 Cb 0.63 -4.58 -0.01 0.00 -0.02 0.00 0.00 39.34 35.36 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 -3.37 1.93 0.00 2.72 0.00 -1.09 -4.94 107.32 102.57 3i9h s GLY 13 Ca 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3i9h s GLY 13 CO 0.77 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.94 3i9h n GLY 14 N -1.67 -1.11 3.75 0.20 0.00 -1.26 -0.66 105.19 104.43 3i9h n GLY 14 Ca 0.04 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.24 2.53 0.04 4.61 0.00 -1.26 -4.68 121.76 121.76 3i9h s ALA 15 Ca 0.00 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 3i9h s ALA 15 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3i9h s ALA 15 CO 0.00 -1.17 0.05 -1.54 0.00 0.00 0.00 175.76 173.10 3i9h s SER 16 N -1.69 0.27 -0.02 0.00 1.04 -1.26 -0.48 113.70 111.56 3i9h s SER 16 Ca 0.76 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 56.50 3i9h s SER 16 Cb -0.29 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3i9h s SER 16 CO 0.34 -0.53 0.05 -0.69 0.98 0.00 0.00 173.24 173.39 3i9h s VAL 17 N -2.96 -0.02 -0.11 5.02 1.01 -0.53 -4.98 120.40 117.84 3i9h s VAL 17 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3i9h s VAL 17 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 3i9h s VAL 17 CO -0.06 0.02 -0.06 -0.44 0.00 0.00 0.00 175.10 174.56 3i9h s SER 18 N 0.35 4.65 0.04 3.32 0.01 -1.26 -0.53 113.70 120.28 3i9h s SER 18 Ca -0.03 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.18 3i9h s SER 18 Cb -0.04 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 3i9h s SER 18 CO -0.01 0.26 -0.13 -0.76 0.41 0.00 0.00 173.24 173.01 3i9h s LEU 19 N -0.17 2.18 0.82 2.44 1.43 -0.04 -4.96 118.68 120.38 3i9h s LEU 19 Ca 0.02 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3i9h s LEU 19 Cb -0.13 -0.53 0.14 0.00 0.03 0.00 0.00 46.19 45.70 3i9h s LEU 19 CO 0.03 -0.00 1.13 -1.10 0.23 0.00 0.00 176.35 176.64 3i9h s GLN 20 N -1.18 1.36 0.40 1.70 -0.21 -1.26 -1.33 119.66 119.14 3i9h s GLN 20 Ca 0.00 -0.65 -0.26 0.00 0.02 0.00 0.00 55.36 54.47 3i9h s GLN 20 Cb -0.08 -2.10 -0.10 0.00 1.00 0.00 0.00 33.01 31.73 3i9h s GLN 20 CO 0.01 -1.80 1.32 -2.30 -2.12 0.00 0.00 175.29 170.40 3i9h n PRO 21 N -3.24 2.10 0.00 2.91 -0.02 -1.26 -4.88 135.00 130.62 3i9h n PRO 21 Ca 0.14 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3i9h n PRO 21 Cb 0.60 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.73 -0.80 3.06 -1.23 0.00 -0.16 -4.96 105.19 101.83 3i9h n GLY 22 Ca 0.05 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 4.82 -0.23 1.61 0.01 -1.26 0.17 114.94 120.06 3i9h s ASN 23 Ca 0.00 -1.91 -0.08 0.00 -0.71 0.00 0.00 52.86 50.16 3i9h s ASN 23 Cb 0.00 -1.66 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 3i9h s ASN 23 CO 0.00 -0.36 0.10 -0.31 -1.51 0.00 0.00 177.10 175.01 3i9h s TYR 24 N 1.02 3.20 0.76 2.20 1.51 0.20 -4.99 117.35 121.25 3i9h s TYR 24 Ca 0.05 -0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 55.98 3i9h s TYR 24 Cb -0.20 -2.20 0.10 0.00 -0.11 0.00 0.00 41.96 39.54 3i9h s TYR 24 CO -0.06 -0.06 1.08 0.95 -1.11 0.00 0.00 175.55 176.34 3i9h s THR 25 N 1.06 2.19 0.15 -0.71 -4.23 -1.26 -1.33 115.64 111.51 3i9h s THR 25 Ca 0.05 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 3i9h s THR 25 Cb -0.14 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.82 3i9h s THR 25 CO 0.04 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.05 3i9h h LEU 26 N -0.80 -0.32 -1.39 4.79 5.85 -1.74 0.12 115.31 121.82 3i9h h LEU 26 Ca -0.43 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3i9h h LEU 26 Cb 1.30 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 3i9h h LEU 26 CO 0.54 -0.11 0.22 0.77 -0.34 0.00 0.00 178.44 179.52 3i9h h SER 27 N -0.00 0.57 0.20 1.25 4.64 -1.94 -0.28 113.55 117.98 3i9h h SER 27 Ca 0.16 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 3i9h h SER 27 Cb 0.25 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3i9h h SER 27 CO -0.35 0.48 -0.68 1.56 -0.87 0.00 0.00 176.83 176.98 3i9h h GLN 28 N 0.64 0.44 -0.44 4.77 4.20 -1.65 -2.00 115.11 121.07 3i9h h GLN 28 Ca 0.16 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 3i9h h GLN 28 Cb 0.07 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3i9h h GLN 28 CO -0.02 0.96 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.87 3i9h h LEU 29 N 0.31 0.84 -0.36 1.46 3.38 -0.10 -1.81 115.31 119.02 3i9h h LEU 29 Ca -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3i9h h LEU 29 Cb 1.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3i9h h LEU 29 CO 0.12 1.00 0.11 0.78 0.09 0.00 0.00 178.44 180.53 3i9h h ASN 30 N 0.74 0.53 -0.57 -0.43 2.35 -0.90 0.37 115.58 117.67 3i9h h ASN 30 Ca 0.11 -0.21 0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3i9h h ASN 30 Cb 0.68 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 3i9h h ASN 30 CO 0.05 0.60 0.38 0.74 -1.65 0.00 0.00 177.43 177.55 3i9h h THR 31 N 0.43 0.97 -0.07 2.81 2.02 -1.19 0.31 112.91 118.19 3i9h h THR 31 Ca 0.11 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3i9h h THR 31 Cb 0.27 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3i9h h THR 31 CO -0.00 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.98 3i9h n ALA 32 N -2.49 2.51 -1.13 6.16 0.00 -0.70 -4.86 120.51 120.00 3i9h n ALA 32 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 3i9h n ALA 32 Cb 0.26 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.33 -0.33 -3.61 0.00 5.02 0.11 -4.94 118.16 114.08 3i9h n LYS 33 Ca 0.05 0.64 -0.40 0.00 -2.02 0.00 0.00 58.31 56.58 3i9h n LYS 33 Cb 0.07 -4.33 -0.11 0.00 -0.02 0.00 0.00 35.03 30.65 3i9h n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9h s ILE 34 N -2.16 4.55 0.92 -0.18 1.01 0.12 -4.97 121.20 120.50 3i9h s ILE 34 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 3i9h s ILE 34 Cb 0.00 -3.51 0.14 0.00 0.01 0.00 0.00 42.46 39.11 3i9h s ILE 34 CO 0.00 -0.18 1.10 -2.84 0.00 0.00 0.00 174.94 173.01 3i9h s PRO 35 N 1.56 1.06 0.55 2.79 0.02 -1.26 -2.79 135.00 136.92 3i9h s PRO 35 Ca 0.02 0.67 -0.17 0.00 0.02 0.00 0.00 61.00 61.54 3i9h s PRO 35 Cb -0.19 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3i9h s PRO 35 CO 0.06 -2.34 1.05 1.21 -0.33 0.00 0.00 177.00 176.65 3i9h s ASN 36 N -3.51 6.05 -1.33 2.53 3.84 -1.26 -3.99 114.94 117.27 3i9h s ASN 36 Ca 0.64 1.84 -0.23 0.00 0.21 0.00 0.00 52.86 55.32 3i9h s ASN 36 Cb -0.18 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.01 3i9h s ASN 36 CO 0.57 -0.98 0.46 0.47 -2.79 0.00 0.00 177.10 174.83 3i9h n ASP 37 N -1.61 -2.44 0.00 -4.21 8.00 -0.96 -4.86 116.55 110.47 3i9h n ASP 37 Ca 0.09 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3i9h n ASP 37 Cb 0.53 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 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 -4.88 0.00 -2.18 1.24 -0.00 -1.26 -4.56 117.44 105.80 3i9h n TRP 38 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 56.90 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 -1.59 4.34 -0.01 5.87 1.75 -1.26 -4.59 119.30 123.81 3i9h s MET 39 Ca 0.00 2.08 0.01 0.00 -1.25 0.00 0.00 55.69 56.53 3i9h s MET 39 Cb 0.00 -3.22 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 3i9h s MET 39 CO 0.00 -0.38 0.00 2.41 -0.65 0.00 0.00 175.02 176.41 3i9h n THR 40 N 3.45 0.07 -3.80 10.11 -1.04 -0.65 -2.10 114.28 120.32 3i9h n THR 40 Ca 0.10 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.97 3i9h n THR 40 Cb 0.42 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 67.93 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 -3.23 0.01 0.14 8.00 1.04 -1.20 -2.22 113.70 116.24 3i9h s SER 41 Ca -0.01 -0.47 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 3i9h s SER 41 Cb 0.00 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.52 3i9h s SER 41 CO 0.04 -0.70 0.47 -1.48 0.98 0.00 0.00 173.24 172.55 3i9h s LEU 42 N -2.57 0.07 -0.15 2.42 2.34 -0.68 0.18 118.68 120.29 3i9h s LEU 42 Ca 0.01 -0.21 0.01 0.00 0.06 0.00 0.00 54.13 54.00 3i9h s LEU 42 Cb 0.02 2.09 -0.00 0.00 -0.56 0.00 0.00 46.19 47.75 3i9h s LEU 42 CO -0.09 -0.89 -0.16 -0.54 -1.06 0.00 0.00 176.35 173.62 3i9h s LYS 43 N -3.77 3.21 -0.17 1.48 1.02 -0.36 -0.36 119.74 120.80 3i9h s LYS 43 Ca 0.02 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 3i9h s LYS 43 Cb 0.01 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3i9h s LYS 43 CO -0.12 0.04 -0.11 0.08 -0.92 0.00 0.00 175.35 174.32 3i9h s VAL 44 N 0.74 3.05 0.62 3.17 1.01 -1.26 -2.27 120.40 125.47 3i9h s VAL 44 Ca -0.07 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 3i9h s VAL 44 Cb -0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3i9h s VAL 44 CO 0.01 0.49 1.16 -2.65 0.00 0.00 0.00 175.10 174.11 3i9h n PRO 45 N 4.11 1.09 -1.68 2.72 -0.02 -1.26 -4.12 135.00 135.83 3i9h n PRO 45 Ca -0.18 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.27 3i9h n PRO 45 Cb 0.52 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3i9h n PRO 45 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i9h n SER 46 N -1.32 3.54 0.00 2.55 7.64 -1.26 -1.75 113.62 123.03 3i9h n SER 46 Ca 0.14 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3i9h n SER 46 Cb 0.47 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 3.87 0.75 3.95 0.23 0.00 -1.26 -5.05 105.19 107.68 3i9h n GLY 47 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.54 2.86 -0.03 1.61 0.52 -0.72 -3.15 118.94 117.48 3i9h s TRP 48 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.75 3i9h s TRP 48 Cb 0.00 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.19 3i9h s TRP 48 CO 0.00 -0.16 -0.02 0.99 0.02 0.00 0.00 176.95 177.77 3i9h s THR 49 N -2.34 0.34 -0.21 2.01 2.01 -0.55 -4.50 115.64 112.40 3i9h s THR 49 Ca 0.49 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.47 3i9h s THR 49 Cb -0.07 -0.40 0.05 0.00 0.01 0.00 0.00 72.50 72.09 3i9h s THR 49 CO 0.30 0.18 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.64 3i9h s VAL 50 N 0.90 1.49 -0.39 3.82 1.01 -0.02 -1.35 120.40 125.87 3i9h s VAL 50 Ca -0.10 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 3i9h s VAL 50 Cb -0.13 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3i9h s VAL 50 CO -0.01 0.06 0.36 -1.81 0.00 0.00 0.00 175.10 173.71 3i9h s ASP 51 N 1.44 6.15 -0.20 3.32 1.01 -0.40 -0.62 116.67 127.37 3i9h s ASP 51 Ca -0.03 -0.59 -0.16 0.00 0.71 0.00 0.00 52.55 52.49 3i9h s ASP 51 Cb -0.17 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3i9h s ASP 51 CO -0.07 -0.45 0.39 -0.69 0.21 0.00 0.00 175.17 174.56 3i9h s VAL 52 N 1.94 5.20 -0.09 -1.27 1.01 0.25 -1.64 120.40 125.81 3i9h s VAL 52 Ca 0.09 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 3i9h s VAL 52 Cb -0.17 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3i9h s VAL 52 CO 0.12 0.26 0.02 -0.31 0.00 0.00 0.00 175.10 175.19 3i9h s TYR 53 N 1.28 3.22 0.14 5.22 1.51 -0.38 -0.32 117.35 128.02 3i9h s TYR 53 Ca 0.19 0.24 -0.15 0.00 -1.01 0.00 0.00 57.07 56.34 3i9h s TYR 53 Cb -0.15 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3i9h s TYR 53 CO 0.08 0.50 1.68 1.49 -1.11 0.00 0.00 175.55 178.19 3i9h h GLU 54 N 5.15 0.68 -5.80 -0.62 4.81 -0.60 -1.89 114.58 116.31 3i9h h GLU 54 Ca -0.51 -0.13 -0.60 0.00 -0.13 0.00 0.00 59.36 57.98 3i9h h GLU 54 Cb 1.20 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 3i9h h GLU 54 CO 0.55 0.63 -0.32 -0.80 -0.73 0.00 0.00 179.01 178.34 3i9h s ASN 55 N -5.95 4.55 0.74 1.04 0.01 -0.30 -4.08 114.94 110.95 3i9h s ASN 55 Ca -0.13 -1.34 -0.11 0.00 -0.71 0.00 0.00 52.86 50.57 3i9h s ASN 55 Cb 0.11 0.52 0.04 0.00 0.41 0.00 0.00 41.25 42.32 3i9h s ASN 55 CO 0.77 -1.11 1.08 -0.62 -1.51 0.00 0.00 177.10 175.70 3i9h s ASP 56 N -4.24 4.93 -1.54 -1.22 2.15 -1.26 -3.61 116.67 111.88 3i9h s ASP 56 Ca 0.28 1.50 -0.05 0.00 0.43 0.00 0.00 52.55 54.72 3i9h s ASP 56 Cb -0.02 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 3i9h s ASP 56 CO 0.18 -1.71 0.64 0.59 -0.17 0.00 0.00 175.17 174.69 3i9h n ASN 57 N -3.29 -6.14 -3.53 -0.34 5.03 -1.26 -3.28 115.26 102.44 3i9h n ASN 57 Ca 0.07 -0.30 -0.20 0.00 0.87 0.00 0.00 54.58 55.03 3i9h n ASN 57 Cb 0.55 -4.94 0.08 0.00 -1.02 0.00 0.00 39.78 34.44 3i9h n ASN 57 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3i9h n PHE 58 N -4.54 -2.35 -4.46 3.10 3.01 -1.26 -5.01 117.46 105.95 3i9h n PHE 58 Ca -0.11 0.95 -0.24 0.00 1.01 0.00 0.00 57.45 59.06 3i9h n PHE 58 Cb 0.62 -4.93 -0.08 0.00 -0.01 0.00 0.00 39.48 35.07 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 -3.39 0.51 0.00 4.37 -4.23 -1.21 -5.04 115.64 106.65 3i9h s THR 59 Ca 0.19 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3i9h s THR 59 Cb -0.09 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3i9h s THR 59 CO 0.75 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 3i9h n GLY 60 N -0.83 -2.03 3.76 3.99 0.00 -1.26 -1.16 105.19 107.66 3i9h n GLY 60 Ca -0.03 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 2.12 -0.16 2.61 2.01 -1.26 -4.60 115.64 116.36 3i9h s THR 61 Ca 0.00 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.12 3i9h s THR 61 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3i9h s THR 61 CO 0.00 0.01 -0.21 -0.75 -0.69 0.00 0.00 174.62 172.98 3i9h s LYS 62 N -2.62 3.01 -0.13 4.92 2.20 -1.26 -0.17 119.74 125.68 3i9h s LYS 62 Ca 0.65 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 55.39 3i9h s LYS 62 Cb -0.42 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 3i9h s LYS 62 CO 0.52 -0.09 -0.05 -1.58 -0.36 0.00 0.00 175.35 173.79 3i9h s TRP 63 N 0.99 2.99 -0.11 4.03 0.51 0.56 -4.94 118.94 122.98 3i9h s TRP 63 Ca -0.03 -0.26 0.01 0.00 -2.12 0.00 0.00 56.10 53.70 3i9h s TRP 63 Cb -0.15 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.60 3i9h s TRP 63 CO -0.06 0.03 -0.12 0.95 -0.51 0.00 0.00 176.95 177.24 3i9h s THR 64 N 0.10 3.21 -0.03 2.01 -4.23 -1.26 0.87 115.64 116.30 3i9h s THR 64 Ca -0.02 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 3i9h s THR 64 Cb -0.14 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 3i9h s THR 64 CO 0.03 0.55 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.17 3i9h s TYR 65 N -0.04 1.65 0.00 3.99 1.51 0.20 -4.98 117.35 119.69 3i9h s TYR 65 Ca -0.02 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 3i9h s TYR 65 Cb -0.14 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 3i9h s TYR 65 CO 0.04 -0.12 0.45 0.25 -1.11 0.00 0.00 175.55 175.05 3i9h n THR 66 N 3.00 0.14 -3.93 -0.71 -2.24 -1.26 -0.84 114.28 108.45 3i9h n THR 66 Ca -0.17 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3i9h n THR 66 Cb 0.53 1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 69.88 3i9h n THR 66 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i9h s SER 67 N -0.14 0.01 0.41 3.42 0.01 -1.26 -4.63 113.70 111.51 3i9h s SER 67 Ca 0.00 -0.81 -0.25 0.00 1.31 0.00 0.00 55.95 56.20 3i9h s SER 67 Cb 0.00 0.45 -0.11 0.00 0.21 0.00 0.00 66.02 66.57 3i9h s SER 67 CO 0.00 -0.91 1.04 0.47 0.41 0.00 0.00 173.24 174.26 3i9h n ASP 68 N -0.22 1.43 -3.58 2.44 8.00 -1.26 -4.31 116.55 119.05 3i9h n ASP 68 Ca -0.08 1.05 -0.27 0.00 0.71 0.00 0.00 54.79 56.21 3i9h n ASP 68 Cb 0.63 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.20 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 -1.25 -0.10 0.03 -3.53 2.01 0.51 -4.93 115.64 108.39 3i9h s THR 69 Ca 0.62 -0.36 0.32 0.00 0.31 0.00 0.00 61.69 62.58 3i9h s THR 69 Cb -0.56 -0.71 0.38 0.00 0.01 0.00 0.00 72.50 71.61 3i9h s THR 69 CO 0.57 -0.43 1.93 1.55 -0.69 0.00 0.00 174.62 177.55 3i9h h PRO 70 N 8.41 0.00 -1.75 4.92 0.13 -1.90 -1.82 132.00 139.99 3i9h h PRO 70 Ca -0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 3i9h h PRO 70 Cb 1.10 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.95 3i9h h PRO 70 CO 0.34 0.01 -0.47 -0.46 -0.23 0.00 0.00 178.00 177.20 3i9h s TRP 71 N -3.61 -0.95 -0.80 1.56 -0.00 -1.26 -0.53 118.94 113.36 3i9h s TRP 71 Ca 0.02 0.83 0.19 0.00 -0.00 0.00 0.00 56.10 57.14 3i9h s TRP 71 Cb 0.08 0.04 0.79 0.00 -0.00 0.00 0.00 33.47 34.39 3i9h s TRP 71 CO 0.57 -0.79 1.59 1.33 -0.00 0.00 0.00 176.95 179.65 3i9h n VAL 72 N 5.37 0.87 0.00 5.86 0.24 -0.94 -4.99 118.33 124.74 3i9h n VAL 72 Ca -0.02 0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 3i9h n VAL 72 Cb 0.50 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 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 0.13 1.61 0.37 7.63 0.00 -1.26 -4.41 105.19 109.24 3i9h n GLY 73 Ca 0.03 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 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 1.08 -0.11 1.61 2.35 -1.94 0.13 115.58 118.69 3i9h h ASN 74 Ca 0.00 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3i9h h ASN 74 Cb 0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3i9h h ASN 74 CO 0.00 0.76 -0.12 0.44 -1.65 0.00 0.00 177.43 176.86 3i9h h ASP 75 N 1.27 0.44 -0.00 5.81 3.45 -2.03 -3.18 116.42 122.16 3i9h h ASP 75 Ca 0.38 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3i9h h ASP 75 Cb -0.05 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.60 3i9h h ASP 75 CO -0.11 0.59 -0.62 0.00 -1.57 0.00 0.00 179.24 177.53 3i9h n ALA 76 N -2.48 3.82 -1.86 3.45 0.00 -1.09 -4.96 120.51 117.38 3i9h n ALA 76 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 3i9h n ALA 76 Cb 0.31 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.36 6.69 -1.30 0.00 2.47 0.42 -3.33 114.94 117.53 3i9h s ASN 77 Ca 0.10 2.66 -0.01 0.00 0.42 0.00 0.00 52.86 56.03 3i9h s ASN 77 Cb 0.13 -2.63 -0.00 0.00 -1.45 0.00 0.00 41.25 37.30 3i9h s ASN 77 CO 0.59 -0.65 0.69 0.47 -3.72 0.00 0.00 177.10 174.47 3i9h n ASP 78 N 1.94 -1.30 0.00 -4.21 8.00 -0.89 -4.90 116.55 115.19 3i9h n ASP 78 Ca 0.05 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.71 3i9h n ASP 78 Cb 0.41 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 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 -4.26 1.52 -1.92 -1.24 5.02 -1.21 -4.49 118.16 111.58 3i9h n LYS 79 Ca -0.29 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.56 3i9h n LYS 79 Cb 0.68 -0.20 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.22 4.19 0.00 1.97 1.75 -1.26 -4.34 119.30 121.38 3i9h s MET 80 Ca 0.00 2.33 0.00 0.00 -1.25 0.00 0.00 55.69 56.77 3i9h s MET 80 Cb 0.00 -3.71 0.00 0.00 2.84 0.00 0.00 34.83 33.96 3i9h s MET 80 CO 0.00 -0.77 0.00 2.41 -0.65 0.00 0.00 175.02 176.01 3i9h n THR 81 N 4.92 0.00 -3.67 10.11 -1.04 -0.71 -2.28 114.28 121.61 3i9h n THR 81 Ca 0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.07 3i9h n THR 81 Cb 0.41 0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 69.10 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 -1.77 -0.19 -0.09 8.00 1.04 -1.21 -1.82 113.70 117.65 3i9h s SER 82 Ca 0.00 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 55.82 3i9h s SER 82 Cb 0.00 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.63 3i9h s SER 82 CO 0.00 -0.80 0.67 0.54 0.98 0.00 0.00 173.24 174.63 3i9h s VAL 83 N -3.59 0.00 -0.09 5.02 0.11 -0.44 -1.25 120.40 120.15 3i9h s VAL 83 Ca 0.02 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3i9h s VAL 83 Cb 0.02 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 3i9h s VAL 83 CO -0.10 -0.01 -0.20 -0.54 -3.33 0.00 0.00 175.10 170.92 3i9h s LYS 84 N -0.89 2.62 -0.16 1.54 1.02 -0.65 -0.63 119.74 122.59 3i9h s LYS 84 Ca -0.09 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3i9h s LYS 84 Cb -0.01 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3i9h s LYS 84 CO 0.08 0.11 -0.17 0.42 -0.92 0.00 0.00 175.35 174.87 3i9h s ILE 85 N 0.50 2.44 0.04 2.17 1.01 0.13 -1.28 121.20 126.20 3i9h s ILE 85 Ca -0.16 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 59.74 3i9h s ILE 85 Cb -0.17 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3i9h s ILE 85 CO 0.06 0.52 -0.26 -0.31 0.00 0.00 0.00 174.94 174.95 3i9h s TYR 86 N 0.99 2.30 -0.41 3.97 1.51 -0.46 -0.99 117.35 124.26 3i9h s TYR 86 Ca -0.02 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 3i9h s TYR 86 Cb -0.15 -1.39 0.53 0.00 -0.11 0.00 0.00 41.96 40.84 3i9h s TYR 86 CO -0.04 0.10 1.82 -1.13 -1.11 0.00 0.00 175.55 175.19 3i9h n SER 87 N 1.88 4.28 0.00 2.29 3.41 -1.26 -1.48 113.62 122.73 3i9h n SER 87 Ca -0.17 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 3i9h n SER 87 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23