#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 -1.76 -0.13 0.58 0.00 -1.26 -4.93 121.76 114.26 3i9h s ALA 3 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 3i9h s ALA 3 Cb 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3i9h s ALA 3 CO 0.00 -1.06 0.27 0.08 0.00 0.00 0.00 175.76 175.05 3i9h s VAL 4 N -2.76 5.31 -0.13 0.00 1.01 -0.85 -4.40 120.40 118.58 3i9h s VAL 4 Ca 0.16 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3i9h s VAL 4 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3i9h s VAL 4 CO 0.02 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.49 3i9h s THR 5 N -0.09 2.22 -0.11 3.92 2.01 -0.95 -0.64 115.64 122.00 3i9h s THR 5 Ca 0.17 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 3i9h s THR 5 Cb -0.13 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3i9h s THR 5 CO 0.05 0.55 0.09 -0.36 -0.69 0.00 0.00 174.62 174.25 3i9h s PHE 6 N 0.60 3.42 0.11 4.92 0.40 0.49 -0.78 117.98 127.15 3i9h s PHE 6 Ca -0.12 0.38 0.10 0.00 -0.60 0.00 0.00 56.93 56.70 3i9h s PHE 6 Cb -0.16 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 3i9h s PHE 6 CO 0.03 0.60 -0.25 0.71 0.70 0.00 0.00 175.22 177.01 3i9h s TYR 7 N -0.87 2.37 0.11 0.36 1.51 0.13 -1.51 117.35 119.45 3i9h s TYR 7 Ca 0.14 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.70 3i9h s TYR 7 Cb -0.12 -1.29 -0.08 0.00 -0.11 0.00 0.00 41.96 40.36 3i9h s TYR 7 CO 0.03 0.32 1.42 1.49 -1.11 0.00 0.00 175.55 177.70 3i9h h GLU 8 N 3.98 0.78 -6.08 -0.62 4.81 -0.87 -1.51 114.58 115.08 3i9h h GLU 8 Ca -0.50 -0.43 -0.55 0.00 -0.13 0.00 0.00 59.36 57.74 3i9h h GLU 8 Cb 1.17 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 3i9h h GLU 8 CO 0.41 1.06 -0.56 -0.51 -0.73 0.00 0.00 179.01 178.68 3i9h s ASP 9 N -6.68 4.55 0.55 1.04 1.01 0.17 -3.93 116.67 113.38 3i9h s ASP 9 Ca -0.12 -0.82 -0.20 0.00 0.71 0.00 0.00 52.55 52.12 3i9h s ASP 9 Cb 0.09 -0.68 -0.06 0.00 1.01 0.00 0.00 42.92 43.28 3i9h s ASP 9 CO 0.85 -0.27 1.01 0.00 0.21 0.00 0.00 175.17 176.97 3i9h n ILE 10 N -1.09 3.38 -3.73 0.77 0.00 -1.26 -2.38 119.36 115.05 3i9h n ILE 10 Ca -0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 62.75 61.96 3i9h n ILE 10 Cb 0.61 -1.20 0.05 0.00 0.00 0.00 0.00 39.64 39.10 3i9h n ILE 10 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3i9h n ASN 11 N -0.47 -4.29 -2.41 9.51 5.15 0.15 -2.76 115.26 120.15 3i9h n ASN 11 Ca 0.12 -0.70 -0.19 0.00 -0.60 0.00 0.00 54.58 53.21 3i9h n ASN 11 Cb 0.45 -4.38 0.01 0.00 -0.53 0.00 0.00 39.78 35.34 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 -4.65 -1.30 -2.84 1.20 0.53 -1.14 -5.01 117.16 103.95 3i9h n TYR 12 Ca -0.07 0.22 -0.21 0.00 -1.02 0.00 0.00 57.90 56.83 3i9h n TYR 12 Cb 0.58 -3.91 0.06 0.00 -1.03 0.00 0.00 39.34 35.05 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 -2.42 1.79 0.00 2.72 0.00 -1.00 -4.92 107.32 103.48 3i9h s GLY 13 Ca 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3i9h s GLY 13 CO 0.16 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.46 3i9h n GLY 14 N -2.38 -0.28 3.71 0.20 0.00 -1.26 -0.65 105.19 104.53 3i9h n GLY 14 Ca 0.13 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.66 1.86 -0.01 4.61 0.00 -1.26 -4.64 121.76 120.66 3i9h s ALA 15 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 3i9h s ALA 15 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3i9h s ALA 15 CO 0.00 -2.24 0.21 -1.54 0.00 0.00 0.00 175.76 172.19 3i9h s SER 16 N -2.64 -0.08 -0.01 0.00 1.04 -1.26 -0.80 113.70 109.94 3i9h s SER 16 Ca 0.68 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.07 3i9h s SER 16 Cb -0.23 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.18 3i9h s SER 16 CO 0.53 -0.38 0.02 -0.69 0.98 0.00 0.00 173.24 173.70 3i9h s VAL 17 N -1.23 -0.02 -0.06 5.02 1.01 -0.57 -4.97 120.40 119.57 3i9h s VAL 17 Ca -0.13 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3i9h s VAL 17 Cb -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 3i9h s VAL 17 CO 0.03 0.05 0.04 -0.44 0.00 0.00 0.00 175.10 174.78 3i9h s SER 18 N 0.59 5.49 0.03 3.32 0.01 -1.26 -0.38 113.70 121.50 3i9h s SER 18 Ca -0.05 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.39 3i9h s SER 18 Cb -0.07 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 3i9h s SER 18 CO -0.02 0.34 -0.06 -0.76 0.41 0.00 0.00 173.24 173.16 3i9h s LEU 19 N -1.22 2.23 0.65 2.44 1.43 0.19 -4.97 118.68 119.42 3i9h s LEU 19 Ca 0.17 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3i9h s LEU 19 Cb -0.12 -0.06 0.06 0.00 0.03 0.00 0.00 46.19 46.10 3i9h s LEU 19 CO 0.07 -0.22 0.92 -1.10 0.23 0.00 0.00 176.35 176.25 3i9h s GLN 20 N -1.42 2.27 0.45 1.70 -1.52 -1.26 -2.02 119.66 117.87 3i9h s GLN 20 Ca -0.11 -0.53 -0.24 0.00 -1.95 0.00 0.00 55.36 52.53 3i9h s GLN 20 Cb -0.09 -2.30 -0.09 0.00 -0.22 0.00 0.00 33.01 30.30 3i9h s GLN 20 CO -0.00 -1.06 1.10 -2.30 -0.25 0.00 0.00 175.29 172.78 3i9h n PRO 21 N -2.70 1.49 0.00 2.91 -0.02 -1.26 -4.85 135.00 130.57 3i9h n PRO 21 Ca 0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3i9h n PRO 21 Cb 0.60 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.06 -0.03 3.12 -1.23 0.00 0.29 -4.94 105.19 103.47 3i9h n GLY 22 Ca 0.09 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 4.91 -0.22 1.61 0.01 -1.26 -0.48 114.94 119.52 3i9h s ASN 23 Ca 0.00 -1.63 -0.08 0.00 -0.71 0.00 0.00 52.86 50.44 3i9h s ASN 23 Cb 0.00 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.91 3i9h s ASN 23 CO 0.00 -0.35 0.08 -0.31 -1.51 0.00 0.00 177.10 175.01 3i9h s TYR 24 N 1.15 3.17 0.82 2.20 1.51 0.34 -4.99 117.35 121.55 3i9h s TYR 24 Ca 0.01 -0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 55.83 3i9h s TYR 24 Cb -0.20 -2.17 0.12 0.00 -0.11 0.00 0.00 41.96 39.60 3i9h s TYR 24 CO -0.03 -0.09 1.16 0.95 -1.11 0.00 0.00 175.55 176.42 3i9h s THR 25 N 1.01 2.10 0.19 -0.71 -4.23 -1.26 -1.44 115.64 111.30 3i9h s THR 25 Ca 0.04 -0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 3i9h s THR 25 Cb -0.14 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.86 3i9h s THR 25 CO 0.03 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.16 3i9h h LEU 26 N -1.06 0.45 -1.20 4.79 5.85 -1.84 -0.13 115.31 122.16 3i9h h LEU 26 Ca -0.44 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 3i9h h LEU 26 Cb 1.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3i9h h LEU 26 CO 0.50 0.31 -0.22 0.77 -0.34 0.00 0.00 178.44 179.46 3i9h h SER 27 N 0.58 0.28 -0.05 1.25 4.64 -1.94 -0.98 113.55 117.32 3i9h h SER 27 Ca 0.24 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 3i9h h SER 27 Cb 0.11 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3i9h h SER 27 CO -0.15 0.51 -0.76 1.56 -0.87 0.00 0.00 176.83 177.12 3i9h h GLN 28 N 0.26 0.70 -0.48 4.77 4.20 -1.80 -0.98 115.11 121.77 3i9h h GLN 28 Ca 0.04 -0.57 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 3i9h h GLN 28 Cb 0.54 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3i9h h GLN 28 CO 0.04 1.18 0.22 -0.07 -0.67 0.00 0.00 178.83 179.53 3i9h h LEU 29 N 0.48 0.64 -0.84 1.46 3.38 -0.71 -1.22 115.31 118.50 3i9h h LEU 29 Ca -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i9h h LEU 29 Cb 1.37 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3i9h h LEU 29 CO 0.15 0.60 0.54 0.78 0.09 0.00 0.00 178.44 180.61 3i9h h ASN 30 N 0.64 0.98 -0.39 -0.43 2.35 -0.92 0.24 115.58 118.05 3i9h h ASN 30 Ca 0.16 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3i9h h ASN 30 Cb 0.14 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3i9h h ASN 30 CO -0.02 0.73 0.20 0.74 -1.65 0.00 0.00 177.43 177.43 3i9h h THR 31 N 1.15 1.15 -0.06 2.81 2.02 -0.82 0.48 112.91 119.64 3i9h h THR 31 Ca 0.31 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3i9h h THR 31 Cb -0.10 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3i9h h THR 31 CO -0.06 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3i9h n ALA 32 N -2.47 2.55 -1.04 6.16 0.00 -0.33 -4.87 120.51 120.51 3i9h n ALA 32 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 3i9h n ALA 32 Cb 0.13 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.42 -0.09 -3.59 0.00 5.02 0.16 -4.95 118.16 114.28 3i9h n LYS 33 Ca 0.10 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.52 3i9h n LYS 33 Cb 0.10 -4.09 -0.11 0.00 -0.02 0.00 0.00 35.03 30.92 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 -2.05 4.68 0.86 -0.18 1.01 0.71 -4.97 121.20 121.26 3i9h s ILE 34 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 3i9h s ILE 34 Cb 0.00 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 39.00 3i9h s ILE 34 CO 0.00 -0.20 1.09 -2.84 0.00 0.00 0.00 174.94 172.99 3i9h s PRO 35 N 1.58 1.56 0.51 2.79 0.02 -1.26 -2.58 135.00 137.62 3i9h s PRO 35 Ca 0.03 0.78 -0.19 0.00 0.02 0.00 0.00 61.00 61.64 3i9h s PRO 35 Cb -0.19 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 3i9h s PRO 35 CO 0.07 -2.02 1.03 1.21 -0.33 0.00 0.00 177.00 176.96 3i9h s ASN 36 N -3.57 6.28 -1.17 2.53 2.47 -1.26 -4.02 114.94 116.19 3i9h s ASN 36 Ca 0.62 1.85 -0.29 0.00 0.42 0.00 0.00 52.86 55.47 3i9h s ASN 36 Cb -0.17 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.11 3i9h s ASN 36 CO 0.56 -0.83 0.72 0.47 -3.72 0.00 0.00 177.10 174.30 3i9h n ASP 37 N -1.25 -4.62 0.00 -4.21 8.00 -1.00 -4.86 116.55 108.60 3i9h n ASP 37 Ca 0.09 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3i9h n ASP 37 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 41.12 39.36 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 -4.63 0.00 -1.92 1.24 -0.00 -1.26 -4.66 117.44 106.21 3i9h n TRP 38 Ca -0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 56.97 3i9h n TRP 38 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.86 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 -1.11 4.20 -0.03 5.87 1.75 -1.26 -4.59 119.30 124.14 3i9h s MET 39 Ca 0.00 2.35 0.01 0.00 -1.25 0.00 0.00 55.69 56.80 3i9h s MET 39 Cb 0.00 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.21 3i9h s MET 39 CO 0.00 -0.69 -0.02 2.41 -0.65 0.00 0.00 175.02 176.07 3i9h n THR 40 N 4.45 0.16 -4.07 10.11 -1.04 -0.58 -2.34 114.28 120.97 3i9h n THR 40 Ca 0.15 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 62.02 3i9h n THR 40 Cb 0.40 -0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 68.12 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 -4.01 0.45 0.08 8.00 1.04 -1.16 -2.16 113.70 115.94 3i9h s SER 41 Ca -0.03 -0.95 -0.22 0.00 0.48 0.00 0.00 55.95 55.23 3i9h s SER 41 Cb 0.01 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.39 3i9h s SER 41 CO 0.07 -0.60 0.53 -1.48 0.98 0.00 0.00 173.24 172.74 3i9h s LEU 42 N -2.84 -0.13 -0.09 2.42 2.34 -0.65 0.20 118.68 119.93 3i9h s LEU 42 Ca 0.06 0.08 0.01 0.00 0.06 0.00 0.00 54.13 54.34 3i9h s LEU 42 Cb 0.07 2.20 -0.02 0.00 -0.56 0.00 0.00 46.19 47.88 3i9h s LEU 42 CO -0.10 -0.79 -0.10 -0.54 -1.06 0.00 0.00 176.35 173.76 3i9h s LYS 43 N -2.89 2.98 -0.11 1.48 1.02 0.04 -0.09 119.74 122.17 3i9h s LYS 43 Ca -0.03 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.36 3i9h s LYS 43 Cb -0.00 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3i9h s LYS 43 CO -0.05 0.48 -0.13 0.08 -0.92 0.00 0.00 175.35 174.81 3i9h s VAL 44 N -0.33 1.34 0.44 3.17 1.01 -1.26 -2.25 120.40 122.52 3i9h s VAL 44 Ca 0.04 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 3i9h s VAL 44 Cb -0.13 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 3i9h s VAL 44 CO 0.02 0.41 1.40 -2.84 0.00 0.00 0.00 175.10 174.09 3i9h s PRO 45 N 1.15 3.75 0.19 2.72 0.02 -1.26 -3.99 135.00 137.58 3i9h s PRO 45 Ca -0.04 2.36 -0.33 0.00 0.02 0.00 0.00 61.00 63.01 3i9h s PRO 45 Cb -0.14 -2.68 -0.13 0.00 0.02 0.00 0.00 34.50 31.56 3i9h s PRO 45 CO -0.03 -0.74 1.55 0.43 -0.33 0.00 0.00 177.00 177.87 3i9h n SER 46 N -0.12 3.13 0.00 2.53 7.64 -1.26 -1.20 113.62 124.34 3i9h n SER 46 Ca 0.05 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3i9h n SER 46 Cb 0.42 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 3.09 1.98 3.95 0.23 0.00 -1.26 -5.05 105.19 108.11 3i9h n GLY 47 Ca 0.15 0.00 -0.23 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 -2.36 3.49 0.01 1.61 0.52 -0.34 -3.45 118.94 118.42 3i9h s TRP 48 Ca 0.00 0.26 0.04 0.00 0.02 0.00 0.00 56.10 56.42 3i9h s TRP 48 Cb 0.00 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 3i9h s TRP 48 CO 0.00 0.22 -0.11 0.95 0.02 0.00 0.00 176.95 178.03 3i9h s THR 49 N -2.20 0.90 -0.13 2.01 -4.23 -0.96 -4.53 115.64 106.50 3i9h s THR 49 Ca 0.38 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 3i9h s THR 49 Cb -0.10 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 72.97 3i9h s THR 49 CO 0.34 0.11 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.72 3i9h s VAL 50 N -0.53 1.38 -0.42 2.29 1.01 0.69 -1.61 120.40 123.21 3i9h s VAL 50 Ca 0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3i9h s VAL 50 Cb -0.06 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 35.08 3i9h s VAL 50 CO 0.00 0.43 0.27 -1.81 0.00 0.00 0.00 175.10 173.99 3i9h s ASP 51 N 1.48 5.70 -0.23 3.32 1.01 -0.00 -0.45 116.67 127.50 3i9h s ASP 51 Ca 0.03 -1.45 -0.21 0.00 0.71 0.00 0.00 52.55 51.64 3i9h s ASP 51 Cb -0.13 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 3i9h s ASP 51 CO -0.09 -0.54 0.63 -0.69 0.21 0.00 0.00 175.17 174.69 3i9h s VAL 52 N 1.46 5.00 -0.11 -1.27 1.01 0.62 -1.55 120.40 125.55 3i9h s VAL 52 Ca 0.03 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 63.11 3i9h s VAL 52 Cb -0.23 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3i9h s VAL 52 CO 0.03 0.07 0.09 -0.31 0.00 0.00 0.00 175.10 174.98 3i9h s TYR 53 N 2.20 3.43 0.20 5.22 1.51 -0.19 -0.70 117.35 129.02 3i9h s TYR 53 Ca 0.27 0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 56.64 3i9h s TYR 53 Cb -0.16 -1.90 0.14 0.00 -0.11 0.00 0.00 41.96 39.92 3i9h s TYR 53 CO 0.09 0.60 1.72 1.49 -1.11 0.00 0.00 175.55 178.35 3i9h h GLU 54 N 5.19 1.13 -5.68 -0.62 4.81 -0.53 -1.52 114.58 117.36 3i9h h GLU 54 Ca -0.52 -0.27 -0.62 0.00 -0.13 0.00 0.00 59.36 57.82 3i9h h GLU 54 Cb 1.21 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.37 3i9h h GLU 54 CO 0.58 0.99 -0.36 -0.80 -0.73 0.00 0.00 179.01 178.70 3i9h s ASN 55 N -6.47 4.47 0.81 1.04 0.01 -0.68 -4.05 114.94 110.08 3i9h s ASN 55 Ca -0.12 -1.41 -0.12 0.00 -0.71 0.00 0.00 52.86 50.51 3i9h s ASN 55 Cb 0.15 0.55 0.08 0.00 0.41 0.00 0.00 41.25 42.44 3i9h s ASN 55 CO 0.85 -1.08 1.10 -0.62 -1.51 0.00 0.00 177.10 175.84 3i9h s ASP 56 N -4.18 4.40 -1.51 -1.22 2.15 -1.26 -3.58 116.67 111.47 3i9h s ASP 56 Ca 0.23 1.27 -0.13 0.00 0.43 0.00 0.00 52.55 54.36 3i9h s ASP 56 Cb -0.02 -1.99 0.08 0.00 -0.30 0.00 0.00 42.92 40.69 3i9h s ASP 56 CO 0.15 -2.03 0.90 0.59 -0.17 0.00 0.00 175.17 174.61 3i9h n ASN 57 N -3.46 -4.81 -3.61 -0.34 3.02 -1.26 -2.87 115.26 101.92 3i9h n ASN 57 Ca 0.07 -0.69 -0.21 0.00 -0.03 0.00 0.00 54.58 53.72 3i9h n ASN 57 Cb 0.57 -3.85 0.06 0.00 -0.61 0.00 0.00 39.78 35.94 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 -4.58 -2.21 -4.49 3.10 3.01 -1.26 -5.01 117.46 106.02 3i9h n PHE 58 Ca 0.03 0.91 -0.24 0.00 1.01 0.00 0.00 57.45 59.16 3i9h n PHE 58 Cb 0.53 -4.70 -0.06 0.00 -0.01 0.00 0.00 39.48 35.24 3i9h n PHE 58 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3i9h n THR 59 N -4.38 0.00 -4.14 4.37 -2.24 -1.14 -5.05 114.28 101.70 3i9h n THR 59 Ca -0.21 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 3i9h n THR 59 Cb 0.64 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3i9h n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9h n GLY 60 N -0.53 -1.72 3.76 3.38 0.00 -1.26 -1.68 105.19 107.14 3i9h n GLY 60 Ca -0.07 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 2.55 -0.16 2.61 2.01 -1.26 -4.64 115.64 116.74 3i9h s THR 61 Ca 0.00 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.42 3i9h s THR 61 Cb 0.00 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.32 3i9h s THR 61 CO 0.00 0.00 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.03 3i9h s LYS 62 N -2.75 2.45 -0.17 4.92 2.20 -1.26 -0.08 119.74 125.05 3i9h s LYS 62 Ca 0.67 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 3i9h s LYS 62 Cb -0.35 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 3i9h s LYS 62 CO 0.43 -0.26 0.03 -1.58 -0.36 0.00 0.00 175.35 173.61 3i9h s TRP 63 N 1.42 3.18 -0.16 4.03 0.51 0.12 -4.92 118.94 123.12 3i9h s TRP 63 Ca 0.04 -0.03 -0.04 0.00 -2.12 0.00 0.00 56.10 53.95 3i9h s TRP 63 Cb -0.13 -2.03 -0.03 0.00 -0.81 0.00 0.00 33.47 30.47 3i9h s TRP 63 CO -0.11 0.12 -0.01 0.99 -0.51 0.00 0.00 176.95 177.42 3i9h s THR 64 N 0.29 4.11 -0.04 2.01 2.01 -1.26 -0.28 115.64 122.48 3i9h s THR 64 Ca 0.01 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.78 3i9h s THR 64 Cb -0.13 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 3i9h s THR 64 CO 0.01 0.49 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.94 3i9h s TYR 65 N 0.27 1.84 0.00 4.92 1.51 0.40 -4.96 117.35 121.33 3i9h s TYR 65 Ca -0.01 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3i9h s TYR 65 Cb -0.14 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 3i9h s TYR 65 CO 0.02 -0.14 0.75 0.25 -1.11 0.00 0.00 175.55 175.32 3i9h n THR 66 N 2.99 0.51 -3.58 -0.71 -2.24 -1.26 -0.22 114.28 109.76 3i9h n THR 66 Ca -0.17 -0.52 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 3i9h n THR 66 Cb 0.53 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.51 -0.42 0.03 3.42 1.04 -1.26 -4.65 113.70 111.34 3i9h s SER 67 Ca 0.00 -0.23 -0.36 0.00 0.48 0.00 0.00 55.95 55.84 3i9h s SER 67 Cb 0.00 0.61 -0.15 0.00 0.10 0.00 0.00 66.02 66.57 3i9h s SER 67 CO 0.00 -1.04 1.51 0.47 0.98 0.00 0.00 173.24 175.16 3i9h n ASP 68 N -0.37 2.30 -3.84 7.02 10.43 -1.26 -4.31 116.55 126.52 3i9h n ASP 68 Ca -0.13 1.09 -0.30 0.00 2.57 0.00 0.00 54.79 58.02 3i9h n ASP 68 Cb 0.63 -1.26 -0.15 0.00 1.84 0.00 0.00 41.12 42.18 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 1.39 1.31 -0.39 -3.53 2.01 0.86 -4.94 115.64 112.36 3i9h s THR 69 Ca 0.86 -1.51 0.26 0.00 0.31 0.00 0.00 61.69 61.61 3i9h s THR 69 Cb -0.88 -1.88 0.28 0.00 0.01 0.00 0.00 72.50 70.04 3i9h s THR 69 CO 0.48 -0.49 1.76 1.55 -0.69 0.00 0.00 174.62 177.23 3i9h h PRO 70 N 7.96 0.00 -1.74 4.92 0.13 -1.92 -1.72 132.00 139.63 3i9h h PRO 70 Ca -0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.87 3i9h h PRO 70 Cb 1.04 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.88 3i9h h PRO 70 CO 0.46 0.00 -0.48 -0.46 -0.23 0.00 0.00 178.00 177.29 3i9h s TRP 71 N -3.36 -0.97 0.26 1.56 -0.00 -1.26 0.34 118.94 115.50 3i9h s TRP 71 Ca 0.04 0.76 0.31 0.00 -0.00 0.00 0.00 56.10 57.22 3i9h s TRP 71 Cb 0.09 0.02 1.42 0.00 -0.00 0.00 0.00 33.47 35.01 3i9h s TRP 71 CO 0.44 -0.82 2.02 -0.39 -0.00 0.00 0.00 176.95 178.19 3i9h h VAL 72 N 6.16 0.26 0.00 5.86 -1.51 -1.66 -3.49 116.25 121.87 3i9h h VAL 72 Ca -0.16 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3i9h h VAL 72 Cb 1.15 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3i9h h VAL 72 CO 0.27 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.30 3i9h n GLY 73 N -0.25 2.91 0.25 5.19 0.00 -1.26 -4.50 105.19 107.53 3i9h n GLY 73 Ca -0.01 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 0.04 1.61 -0.26 -1.94 0.56 115.58 115.59 3i9h h ASN 74 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 3i9h h ASN 74 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3i9h h ASN 74 CO 0.00 0.15 -0.41 0.44 -1.06 0.00 0.00 177.43 176.55 3i9h h ASP 75 N 0.00 0.29 0.47 5.81 3.45 -2.03 -3.33 116.42 121.08 3i9h h ASP 75 Ca -0.00 -0.86 0.00 0.00 0.43 0.00 0.00 57.03 56.59 3i9h h ASP 75 Cb 0.39 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3i9h h ASP 75 CO 0.02 1.13 -0.36 0.00 -1.57 0.00 0.00 179.24 178.46 3i9h n ALA 76 N -2.59 3.25 -2.02 3.45 0.00 -1.18 -4.88 120.51 116.53 3i9h n ALA 76 Ca -0.11 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 3i9h n ALA 76 Cb 0.61 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.83 6.75 -1.40 0.00 2.47 0.18 -3.23 114.94 116.89 3i9h s ASN 77 Ca 0.16 2.47 -0.09 0.00 0.42 0.00 0.00 52.86 55.83 3i9h s ASN 77 Cb 0.18 -2.60 0.03 0.00 -1.45 0.00 0.00 41.25 37.42 3i9h s ASN 77 CO 0.62 -0.67 1.04 0.47 -3.72 0.00 0.00 177.10 174.83 3i9h n ASP 78 N 3.32 -4.69 0.00 -4.21 8.00 -0.99 -4.90 116.55 113.09 3i9h n ASP 78 Ca 0.10 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3i9h n ASP 78 Cb 0.41 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 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 -4.71 2.92 -1.75 -1.24 5.02 -1.20 -4.37 118.16 112.84 3i9h n LYS 79 Ca -0.05 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3i9h n LYS 79 Cb 0.58 -0.30 -0.03 0.00 -0.02 0.00 0.00 35.03 35.25 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 -0.43 4.15 0.00 1.97 1.75 -1.26 -4.31 119.30 121.17 3i9h s MET 80 Ca 0.00 2.55 0.00 0.00 -1.25 0.00 0.00 55.69 56.99 3i9h s MET 80 Cb 0.00 -3.65 0.00 0.00 2.84 0.00 0.00 34.83 34.02 3i9h s MET 80 CO 0.00 -0.84 0.00 2.41 -0.65 0.00 0.00 175.02 175.94 3i9h n THR 81 N 4.81 0.00 -3.62 10.11 -1.04 -0.58 -2.38 114.28 121.58 3i9h n THR 81 Ca 0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.06 3i9h n THR 81 Cb 0.39 0.18 -0.05 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.74 -0.32 -0.06 8.00 1.04 -1.21 -2.30 113.70 117.10 3i9h s SER 82 Ca 0.00 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.17 3i9h s SER 82 Cb 0.00 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.63 3i9h s SER 82 CO 0.00 -0.74 0.50 0.54 0.98 0.00 0.00 173.24 174.52 3i9h s VAL 83 N -2.88 0.02 -0.13 5.02 0.11 -0.52 -1.02 120.40 121.00 3i9h s VAL 83 Ca -0.03 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 3i9h s VAL 83 Cb -0.00 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3i9h s VAL 83 CO -0.05 -0.11 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.86 3i9h s LYS 84 N -0.99 3.07 -0.13 1.54 1.02 -0.59 -0.50 119.74 123.15 3i9h s LYS 84 Ca -0.10 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.07 3i9h s LYS 84 Cb -0.03 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.84 3i9h s LYS 84 CO 0.06 0.05 -0.18 0.42 -0.92 0.00 0.00 175.35 174.78 3i9h s ILE 85 N 0.67 2.48 0.10 2.17 1.01 0.37 -0.82 121.20 127.18 3i9h s ILE 85 Ca -0.10 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.80 3i9h s ILE 85 Cb -0.16 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3i9h s ILE 85 CO 0.02 0.53 -0.25 -0.31 0.00 0.00 0.00 174.94 174.93 3i9h s TYR 86 N 0.59 2.18 -2.09 3.97 1.51 -0.63 -0.54 117.35 122.33 3i9h s TYR 86 Ca -0.11 -0.39 0.14 0.00 -1.01 0.00 0.00 57.07 55.70 3i9h s TYR 86 Cb -0.16 -1.22 0.54 0.00 -0.11 0.00 0.00 41.96 41.01 3i9h s TYR 86 CO 0.03 0.25 1.39 0.43 -1.11 0.00 0.00 175.55 176.54 3i9h n SER 87 N 1.21 1.18 0.00 2.29 7.64 -1.26 -2.27 113.62 122.41 3i9h n SER 87 Ca -0.18 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 57.90 3i9h n SER 87 Cb 0.53 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38