#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9q s GLU 7 N 0.00 3.34 0.16 1.97 -1.05 -1.26 -4.81 118.70 117.05 3i9q s GLU 7 Ca 0.00 0.56 0.06 0.00 -0.15 0.00 0.00 54.97 55.43 3i9q s GLU 7 Cb 0.00 -2.11 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 3i9q s GLU 7 CO 0.00 -0.66 0.08 -0.51 0.95 0.00 0.00 175.26 175.11 3i9q s LEU 8 N -5.17 3.60 0.08 1.83 1.43 -1.26 -0.28 118.68 118.91 3i9q s LEU 8 Ca 0.55 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3i9q s LEU 8 Cb -0.11 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3i9q s LEU 8 CO 0.52 0.09 -0.14 0.68 0.23 0.00 0.00 176.35 177.72 3i9q s VAL 9 N -1.71 1.13 -0.16 -1.59 -7.23 0.26 -0.79 120.40 110.32 3i9q s VAL 9 Ca 0.29 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 3i9q s VAL 9 Cb -0.10 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 3i9q s VAL 9 CO 0.21 -0.25 0.29 -0.22 -0.31 0.00 0.00 175.10 174.83 3i9q s LEU 10 N -1.82 4.24 -0.19 1.32 2.96 0.45 -0.56 118.68 125.09 3i9q s LEU 10 Ca -0.01 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 3i9q s LEU 10 Cb -0.09 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 3i9q s LEU 10 CO 0.02 0.09 1.65 0.00 -1.32 0.00 0.00 176.35 176.80 3i9q s ALA 11 N 0.50 3.31 -0.16 5.97 0.00 0.11 -0.59 121.76 130.90 3i9q s ALA 11 Ca 0.16 0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.84 3i9q s ALA 11 Cb -0.13 -3.84 0.06 0.00 0.00 0.00 0.00 23.12 19.20 3i9q s ALA 11 CO 0.04 -1.89 1.42 -0.07 0.00 0.00 0.00 175.76 175.25 3i9q h LEU 12 N 11.58 0.00 -7.65 0.00 3.38 -1.13 -0.58 115.31 120.91 3i9q h LEU 12 Ca -0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3i9q h LEU 12 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 3i9q h LEU 12 CO 0.99 0.50 -0.28 -0.31 0.09 0.00 0.00 178.44 179.43 3i9q s TYR 13 N -2.96 0.01 0.56 1.13 2.02 -1.24 -4.83 117.35 112.03 3i9q s TYR 13 Ca 0.04 -0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 56.20 3i9q s TYR 13 Cb 0.08 0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.64 3i9q s TYR 13 CO 0.75 -0.55 1.35 -0.51 -1.57 0.00 0.00 175.55 175.01 3i9q s ASP 14 N -2.57 5.21 -0.12 2.29 1.01 -1.26 -3.70 116.67 117.51 3i9q s ASP 14 Ca 0.01 2.74 -0.05 0.00 0.71 0.00 0.00 52.55 55.96 3i9q s ASP 14 Cb 0.02 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.38 3i9q s ASP 14 CO -0.09 -1.61 0.26 -0.47 0.21 0.00 0.00 175.17 173.47 3i9q s TYR 15 N -1.32 -0.41 -0.24 4.23 5.04 -0.40 -4.91 117.35 119.34 3i9q s TYR 15 Ca 0.73 0.94 -0.10 0.00 -2.44 0.00 0.00 57.07 56.19 3i9q s TYR 15 Cb -0.40 -0.02 -0.05 0.00 0.35 0.00 0.00 41.96 41.84 3i9q s TYR 15 CO 0.46 -0.33 0.16 -1.14 -1.34 0.00 0.00 175.55 173.36 3i9q s GLN 16 N 2.20 4.05 0.30 4.97 2.00 -1.26 -1.07 119.66 130.85 3i9q s GLN 16 Ca -0.01 -0.28 -0.30 0.00 -2.00 0.00 0.00 55.36 52.78 3i9q s GLN 16 Cb -0.12 -3.54 -0.12 0.00 0.80 0.00 0.00 33.01 30.03 3i9q s GLN 16 CO -0.09 0.04 1.42 -0.85 -0.50 0.00 0.00 175.29 175.32 3i9q n GLU 17 N 4.34 2.30 -0.92 1.67 -0.00 -1.26 -4.91 120.64 121.87 3i9q n GLU 17 Ca -0.15 0.81 0.05 0.00 -0.00 0.00 0.00 57.16 57.87 3i9q n GLU 17 Cb 0.52 -2.48 0.10 0.00 -0.00 0.00 0.00 31.44 29.58 3i9q n GLU 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i9q n LYS 18 N 1.41 0.74 0.00 3.44 5.02 -1.26 -4.98 118.16 122.53 3i9q n LYS 18 Ca 0.07 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 3i9q n LYS 18 Cb 0.35 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3i9q n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9q n GLY 19 N -0.36 0.67 0.35 0.72 0.00 -1.26 -5.01 105.19 100.29 3i9q n GLY 19 Ca 0.11 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.64 3i9q n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3i9q h ASP 20 N 0.00 0.00 -0.04 1.61 3.58 -2.03 0.75 116.42 120.30 3i9q h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i9q h ASP 20 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3i9q h ASP 20 CO 0.00 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.16 3i9q n SER 21 N -4.18 2.21 -4.90 2.28 7.64 -1.26 -4.94 113.62 110.46 3i9q n SER 21 Ca 0.06 -1.74 -0.21 0.00 1.01 0.00 0.00 58.87 57.98 3i9q n SER 21 Cb 0.46 -0.01 0.06 0.00 -1.01 0.00 0.00 64.21 63.71 3i9q n SER 21 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3i9q s GLU 22 N -1.98 2.31 0.02 1.43 2.02 0.26 -0.61 118.70 122.15 3i9q s GLU 22 Ca 0.34 -0.96 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 3i9q s GLU 22 Cb 0.20 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 3i9q s GLU 22 CO 0.32 -0.89 0.03 0.54 0.02 0.00 0.00 175.26 175.27 3i9q s VAL 23 N -2.83 0.11 0.13 2.63 0.11 -0.94 -4.52 120.40 115.09 3i9q s VAL 23 Ca 0.60 -0.95 -0.21 0.00 -2.93 0.00 0.00 61.98 58.49 3i9q s VAL 23 Cb -0.09 -0.47 -0.07 0.00 -1.53 0.00 0.00 36.38 34.22 3i9q s VAL 23 CO 0.40 -0.52 0.65 -0.89 -3.33 0.00 0.00 175.10 171.41 3i9q s THR 24 N -1.76 4.61 0.03 5.04 2.01 -1.26 -3.99 115.64 120.31 3i9q s THR 24 Ca -0.13 1.35 -0.09 0.00 0.31 0.00 0.00 61.69 63.14 3i9q s THR 24 Cb -0.07 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.48 3i9q s THR 24 CO -0.01 0.48 0.17 0.00 -0.69 0.00 0.00 174.62 174.57 3i9q s MET 25 N -1.29 0.64 -0.11 4.92 0.23 -0.23 -4.96 119.30 118.50 3i9q s MET 25 Ca 0.33 -0.60 -0.05 0.00 -1.03 0.00 0.00 55.69 54.35 3i9q s MET 25 Cb -0.20 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.33 3i9q s MET 25 CO 0.22 -0.18 0.08 0.15 -2.03 0.00 0.00 175.02 173.26 3i9q s LYS 26 N -2.33 3.33 0.09 3.16 1.02 -1.26 -1.28 119.74 122.46 3i9q s LYS 26 Ca -0.07 -0.25 -0.36 0.00 0.02 0.00 0.00 55.97 55.31 3i9q s LYS 26 Cb -0.02 -3.05 -0.17 0.00 -0.52 0.00 0.00 37.83 34.06 3i9q s LYS 26 CO -0.03 0.71 1.19 1.17 -0.92 0.00 0.00 175.35 177.47 3i9q n LYS 27 N 2.18 0.82 0.00 1.68 4.81 -1.24 -1.18 118.16 125.22 3i9q n LYS 27 Ca -0.19 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3i9q n LYS 27 Cb 0.54 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3i9q n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9q n GLY 28 N 2.13 2.48 3.74 3.14 0.00 -0.23 -4.95 105.19 111.50 3i9q n GLY 28 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3i9q n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i9q s ASP 29 N -1.45 4.73 -0.32 1.61 1.01 -0.33 -4.71 116.67 117.20 3i9q s ASP 29 Ca 0.00 2.39 -0.06 0.00 0.71 0.00 0.00 52.55 55.60 3i9q s ASP 29 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.37 3i9q s ASP 29 CO 0.00 -1.91 0.08 -0.63 0.21 0.00 0.00 175.17 172.92 3i9q s ILE 30 N -1.75 3.66 0.03 0.77 -1.09 -1.26 -0.71 121.20 120.85 3i9q s ILE 30 Ca 0.77 -1.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3i9q s ILE 30 Cb -0.31 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 3i9q s ILE 30 CO 0.39 -0.10 0.00 -0.76 -1.23 0.00 0.00 174.94 173.24 3i9q s LEU 31 N 1.40 3.50 -0.02 2.97 1.43 0.28 -4.93 118.68 123.30 3i9q s LEU 31 Ca -0.01 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 3i9q s LEU 31 Cb -0.19 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3i9q s LEU 31 CO 0.02 0.24 0.92 -0.89 0.23 0.00 0.00 176.35 176.87 3i9q s THR 32 N -1.16 4.90 -0.16 5.49 2.01 -1.05 -0.57 115.64 125.10 3i9q s THR 32 Ca 0.22 1.92 -0.23 0.00 0.31 0.00 0.00 61.69 63.91 3i9q s THR 32 Cb -0.12 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 3i9q s THR 32 CO 0.13 0.17 0.73 -0.22 -0.69 0.00 0.00 174.62 174.74 3i9q s LEU 33 N 1.04 4.20 -0.20 4.42 2.96 0.61 -0.57 118.68 131.13 3i9q s LEU 33 Ca 0.49 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 3i9q s LEU 33 Cb -0.20 -3.08 -0.21 0.00 0.50 0.00 0.00 46.19 43.20 3i9q s LEU 33 CO 0.25 -0.29 0.01 0.18 -1.32 0.00 0.00 176.35 175.18 3i9q n LEU 34 N 4.84 2.43 -3.63 -0.68 4.77 0.58 -4.22 117.00 121.09 3i9q n LEU 34 Ca 0.01 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 3i9q n LEU 34 Cb 0.50 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3i9q n LEU 34 CO 0.46 0.84 0.31 0.21 -1.33 0.00 0.00 177.39 177.88 3i9q s ASN 35 N -6.52 -1.05 -0.14 -1.43 3.84 -0.82 -4.97 114.94 103.85 3i9q s ASN 35 Ca -0.27 1.50 0.17 0.00 0.21 0.00 0.00 52.86 54.46 3i9q s ASN 35 Cb 0.08 2.03 0.31 0.00 -0.55 0.00 0.00 41.25 43.12 3i9q s ASN 35 CO 0.68 -0.22 1.16 -1.54 -2.79 0.00 0.00 177.10 174.40 3i9q n SER 36 N 5.12 2.11 0.23 -4.21 3.41 -1.26 -0.63 113.62 118.39 3i9q n SER 36 Ca -0.14 -3.20 0.08 0.00 -0.26 0.00 0.00 58.87 55.35 3i9q n SER 36 Cb 0.52 -0.44 0.56 0.00 -0.26 0.00 0.00 64.21 64.58 3i9q n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3i9q h THR 37 N 0.56 0.92 -3.16 6.66 1.35 -1.96 -3.43 112.91 113.86 3i9q h THR 37 Ca -0.00 -0.75 -0.59 0.00 -0.55 0.00 0.00 66.41 64.52 3i9q h THR 37 Cb 1.03 1.43 -0.05 0.00 -1.73 0.00 0.00 68.15 68.83 3i9q h THR 37 CO 0.00 0.20 -0.10 0.21 -0.25 0.00 0.00 175.52 175.58 3i9q s ASN 38 N -6.63 6.95 0.52 5.36 3.84 -1.26 -4.99 114.94 118.71 3i9q s ASN 38 Ca -0.03 1.13 0.31 0.00 0.21 0.00 0.00 52.86 54.48 3i9q s ASN 38 Cb 0.14 -2.31 1.16 0.00 -0.55 0.00 0.00 41.25 39.69 3i9q s ASN 38 CO 0.66 0.28 1.91 0.07 -2.79 0.00 0.00 177.10 177.22 3i9q h LYS 39 N 4.49 0.00 0.00 0.43 2.10 -2.01 -3.35 116.57 118.23 3i9q h LYS 39 Ca -0.50 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 57.92 3i9q h LYS 39 Cb 1.21 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 3i9q h LYS 39 CO 0.63 0.05 -1.86 -0.25 -2.00 0.00 0.00 179.45 176.01 3i9q n ASP 40 N -3.15 2.35 -3.87 7.07 8.00 -1.26 -4.71 116.55 120.98 3i9q n ASP 40 Ca 0.01 -0.04 -0.24 0.00 0.71 0.00 0.00 54.79 55.23 3i9q n ASP 40 Cb 0.36 0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 41.61 3i9q n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i9q s TRP 41 N -2.30 1.05 -0.08 1.24 0.52 -1.26 -1.22 118.94 116.88 3i9q s TRP 41 Ca -0.13 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.58 3i9q s TRP 41 Cb 0.04 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 3i9q s TRP 41 CO 0.44 -0.36 -0.08 -1.58 0.02 0.00 0.00 176.95 175.39 3i9q s TRP 42 N 1.55 2.91 -0.12 -1.98 0.52 -0.17 -4.32 118.94 117.33 3i9q s TRP 42 Ca 0.00 -0.09 -0.26 0.00 0.02 0.00 0.00 56.10 55.77 3i9q s TRP 42 Cb -0.13 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 3i9q s TRP 42 CO -0.04 0.23 0.84 0.21 0.02 0.00 0.00 176.95 178.20 3i9q s LYS 43 N -0.56 4.37 0.06 4.98 2.20 0.19 -1.20 119.74 129.78 3i9q s LYS 43 Ca 0.08 1.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.77 3i9q s LYS 43 Cb -0.12 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 3i9q s LYS 43 CO 0.02 -0.21 -0.05 0.14 -0.36 0.00 0.00 175.35 174.88 3i9q s VAL 44 N 1.73 0.40 -0.16 4.02 -7.23 0.01 -0.31 120.40 118.86 3i9q s VAL 44 Ca 0.41 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.02 3i9q s VAL 44 Cb -0.17 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 3i9q s VAL 44 CO 0.16 -0.73 0.04 -0.70 -0.31 0.00 0.00 175.10 173.57 3i9q s GLU 45 N -2.87 3.76 -0.46 4.82 2.12 0.26 -1.07 118.70 125.26 3i9q s GLU 45 Ca -0.00 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.00 3i9q s GLU 45 Cb -0.00 -3.11 0.12 0.00 0.26 0.00 0.00 34.13 31.40 3i9q s GLU 45 CO -0.04 0.37 0.21 0.08 -0.54 0.00 0.00 175.26 175.33 3i9q s VAL 46 N 0.09 2.17 0.00 3.70 1.01 0.56 -2.53 120.40 125.40 3i9q s VAL 46 Ca 0.04 -2.88 0.00 0.00 0.00 0.00 0.00 61.98 59.14 3i9q s VAL 46 Cb -0.12 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3i9q s VAL 46 CO 0.01 -0.78 0.00 0.59 0.00 0.00 0.00 175.10 174.92 3i9q n ASN 47 N 3.50 0.00 -0.44 3.32 4.13 -1.26 -2.00 115.26 122.50 3i9q n ASN 47 Ca 0.05 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.45 3i9q n ASN 47 Cb 0.35 0.00 0.53 0.00 -1.54 0.00 0.00 39.78 39.12 3i9q n ASN 47 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3i9q n ASP 48 N 9.45 1.40 -4.56 6.41 8.00 -1.26 -4.87 116.55 131.12 3i9q n ASP 48 Ca 0.00 -1.43 -0.30 0.00 0.71 0.00 0.00 54.79 53.77 3i9q n ASP 48 Cb 0.00 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3i9q n ASP 48 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i9q s ARG 49 N -2.04 2.17 0.07 -1.24 0.52 -0.85 -5.13 118.95 112.45 3i9q s ARG 49 Ca 0.37 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 3i9q s ARG 49 Cb 0.21 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3i9q s ARG 49 CO 0.35 0.53 -0.06 -0.65 0.02 0.00 0.00 175.30 175.48 3i9q s GLN 50 N -1.96 0.69 0.00 3.54 -0.21 -1.26 -0.32 119.66 120.14 3i9q s GLN 50 Ca 0.19 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3i9q s GLN 50 Cb -0.11 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.72 3i9q s GLN 50 CO 0.11 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 3i9q n GLY 51 N 0.53 -1.32 3.86 3.09 0.00 -0.23 -4.73 105.19 106.38 3i9q n GLY 51 Ca -0.16 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 3i9q n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i9q s PHE 52 N -3.00 3.64 0.16 1.61 0.40 0.22 -0.81 117.98 120.20 3i9q s PHE 52 Ca 0.00 0.83 0.04 0.00 -0.60 0.00 0.00 56.93 57.20 3i9q s PHE 52 Cb 0.00 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 3i9q s PHE 52 CO 0.00 0.59 -0.07 0.14 0.70 0.00 0.00 175.22 176.59 3i9q s VAL 53 N -1.24 1.04 0.19 -0.44 -7.23 -0.34 -2.22 120.40 110.16 3i9q s VAL 53 Ca 0.28 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 3i9q s VAL 53 Cb -0.15 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 3i9q s VAL 53 CO 0.15 -0.64 1.50 -2.84 -0.31 0.00 0.00 175.10 172.95 3i9q s PRO 54 N -3.80 4.25 0.46 4.82 0.02 -1.26 -1.00 135.00 138.49 3i9q s PRO 54 Ca 0.19 2.30 0.12 0.00 0.02 0.00 0.00 61.00 63.64 3i9q s PRO 54 Cb 0.04 -3.15 1.06 0.00 0.02 0.00 0.00 34.50 32.47 3i9q s PRO 54 CO 0.02 -0.51 2.07 0.00 -0.33 0.00 0.00 177.00 178.25 3i9q h ALA 55 N 6.15 1.91 0.00 -1.55 0.00 -1.45 -0.50 119.26 123.82 3i9q h ALA 55 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i9q h ALA 55 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i9q h ALA 55 CO 0.86 0.05 0.00 0.00 0.00 0.00 0.00 179.25 180.16 3i9q h ALA 56 N 1.82 1.00 -0.65 0.00 0.00 -1.88 -2.92 119.26 116.62 3i9q h ALA 56 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i9q h ALA 56 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i9q h ALA 56 CO -0.03 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.88 3i9q n TYR 57 N -2.89 0.86 -4.02 0.00 4.01 -0.19 -4.88 117.16 110.05 3i9q n TYR 57 Ca -0.01 -0.43 -0.13 0.00 -0.16 0.00 0.00 57.90 57.17 3i9q n TYR 57 Cb 0.18 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.08 3i9q n TYR 57 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3i9q s VAL 58 N -1.14 0.25 -0.11 -0.72 -7.23 -1.11 -0.50 120.40 109.85 3i9q s VAL 58 Ca 0.45 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 3i9q s VAL 58 Cb 0.24 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.89 3i9q s VAL 58 CO 0.31 -0.13 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.06 3i9q s LYS 59 N -0.61 3.17 0.24 4.82 2.20 0.25 -4.90 119.74 124.91 3i9q s LYS 59 Ca -0.04 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 3i9q s LYS 59 Cb -0.04 -2.50 -0.10 0.00 -1.51 0.00 0.00 37.83 33.67 3i9q s LYS 59 CO -0.00 0.26 1.50 0.15 -0.36 0.00 0.00 175.35 176.89 3i9q s LYS 60 N 0.21 4.22 -0.09 4.03 1.02 -1.26 -0.41 119.74 127.47 3i9q s LYS 60 Ca -0.10 2.38 -0.16 0.00 0.02 0.00 0.00 55.97 58.10 3i9q s LYS 60 Cb -0.16 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3i9q s LYS 60 CO 0.06 -0.50 0.42 -0.51 -0.92 0.00 0.00 175.35 173.89 3i9q s LEU 61 N -0.13 4.33 0.00 3.17 1.43 0.03 -4.87 118.68 122.64 3i9q s LEU 61 Ca 0.62 0.80 0.30 0.00 -1.03 0.00 0.00 54.13 54.82 3i9q s LEU 61 Cb -0.44 -2.59 1.54 0.00 0.03 0.00 0.00 46.19 44.73 3i9q s LEU 61 CO 0.42 0.13 2.02 0.47 0.23 0.00 0.00 176.35 179.62