#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w9q s ILE 5 N 0.00 5.42 0.09 -0.61 1.01 -1.26 -4.07 121.20 121.78 2w9q s ILE 5 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2w9q s ILE 5 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2w9q s ILE 5 CO 0.00 0.51 -0.12 0.68 0.00 0.00 0.00 174.94 176.01 2w9q s VAL 6 N -0.26 1.06 0.28 2.92 -7.23 -0.75 -4.88 120.40 111.55 2w9q s VAL 6 Ca 0.13 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 2w9q s VAL 6 Cb -0.12 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.45 2w9q s VAL 6 CO 0.02 -0.42 1.19 0.21 -0.31 0.00 0.00 175.10 175.79 2w9q s ASN 7 N -2.20 7.06 -0.24 4.85 3.84 -1.26 -0.76 114.94 126.22 2w9q s ASN 7 Ca 0.03 2.42 -0.15 0.00 0.21 0.00 0.00 52.86 55.38 2w9q s ASN 7 Cb -0.06 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 2w9q s ASN 7 CO 0.01 -0.32 0.37 -0.69 -2.79 0.00 0.00 177.10 173.68 2w9q s VAL 8 N -0.98 5.19 0.27 -5.21 1.01 0.11 -4.90 120.40 115.89 2w9q s VAL 8 Ca 0.47 0.60 0.23 0.00 0.00 0.00 0.00 61.98 63.28 2w9q s VAL 8 Cb -0.35 -3.70 0.22 0.00 0.00 0.00 0.00 36.38 32.55 2w9q s VAL 8 CO 0.45 0.21 1.89 1.55 0.00 0.00 0.00 175.10 179.19 2w9q h PRO 9 N 7.81 0.00 -2.14 2.72 0.13 -1.96 -3.37 132.00 135.20 2w9q h PRO 9 Ca -0.34 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.21 2w9q h PRO 9 Cb 1.16 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.88 2w9q h PRO 9 CO 0.67 0.24 -0.75 0.09 -0.23 0.00 0.00 178.00 178.02 2w9q n ASN 10 N -3.59 2.73 0.24 1.44 4.13 -1.26 -4.94 115.26 114.01 2w9q n ASN 10 Ca -0.01 -3.24 0.13 0.00 1.68 0.00 0.00 54.58 53.15 2w9q n ASN 10 Cb 0.38 -0.66 0.39 0.00 -1.54 0.00 0.00 39.78 38.35 2w9q n ASN 10 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2w9q h PRO 11 N 4.06 0.00 -0.97 3.52 0.13 -1.93 -2.77 132.00 134.04 2w9q h PRO 11 Ca 0.16 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.64 2w9q h PRO 11 Cb 0.72 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.55 2w9q h PRO 11 CO 0.73 0.05 0.67 -1.71 -0.23 0.00 0.00 178.00 177.51 2w9q n ASN 12 N -3.13 7.16 -3.94 1.44 5.15 -1.26 -4.56 115.26 116.11 2w9q n ASN 12 Ca 0.02 -3.78 -0.29 0.00 -0.60 0.00 0.00 54.58 49.93 2w9q n ASN 12 Cb 0.45 -0.90 0.20 0.00 -0.53 0.00 0.00 39.78 39.00 2w9q n ASN 12 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2w9q n ASN 13 N -0.91 0.15 -0.23 1.20 0.23 -1.05 -4.81 115.26 109.84 2w9q n ASN 13 Ca 0.60 -1.51 -0.11 0.00 -0.53 0.00 0.00 54.58 53.03 2w9q n ASN 13 Cb 0.75 -1.01 -0.08 0.00 -2.08 0.00 0.00 39.78 37.36 2w9q n ASN 13 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2w9q h THR 14 N -1.73 0.03 -0.63 5.53 1.35 -1.93 -1.92 112.91 113.59 2w9q h THR 14 Ca -0.43 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.35 2w9q h THR 14 Cb 1.20 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 2w9q h THR 14 CO 0.31 0.00 0.08 0.50 -0.25 0.00 0.00 175.52 176.16 2w9q h LYS 15 N -0.24 1.04 0.02 4.72 3.64 -1.96 -2.78 116.57 121.01 2w9q h LYS 15 Ca 0.13 -0.28 -0.23 0.00 -1.27 0.00 0.00 60.65 59.01 2w9q h LYS 15 Cb 0.54 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2w9q h LYS 15 CO -0.72 0.97 -0.97 0.74 -2.27 0.00 0.00 179.45 177.20 2w9q h PHE 16 N 0.97 0.52 -0.49 1.91 0.05 -1.82 -1.08 116.94 117.01 2w9q h PHE 16 Ca 0.19 -0.30 -0.10 0.00 3.82 0.00 0.00 57.97 61.59 2w9q h PHE 16 Cb 0.45 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 2w9q h PHE 16 CO 0.03 1.13 -0.08 1.96 -0.18 0.00 0.00 178.31 181.18 2w9q h GLN 17 N 0.18 0.88 -0.08 1.51 4.20 -1.34 -1.22 115.11 119.23 2w9q h GLN 17 Ca -0.08 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.21 2w9q h GLN 17 Cb 1.62 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 2w9q h GLN 17 CO 0.16 0.92 -0.53 0.93 -0.67 0.00 0.00 178.83 179.65 2w9q h GLU 18 N 0.79 0.24 -0.47 1.46 5.08 -1.48 -0.79 114.58 119.41 2w9q h GLU 18 Ca 0.14 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2w9q h GLU 18 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2w9q h GLU 18 CO 0.04 0.71 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.59 2w9q h LEU 19 N 0.18 0.89 -0.24 1.33 4.07 -0.99 -2.59 115.31 117.97 2w9q h LEU 19 Ca 0.00 -0.35 -0.11 0.00 0.08 0.00 0.00 57.88 57.50 2w9q h LEU 19 Cb 0.99 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 2w9q h LEU 19 CO 0.08 1.04 -0.27 0.00 -1.08 0.00 0.00 178.44 178.22 2w9q h ALA 20 N 0.89 0.36 -0.98 1.53 0.00 -1.24 -2.84 119.26 116.96 2w9q h ALA 20 Ca 0.12 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2w9q h ALA 20 Cb 0.64 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2w9q h ALA 20 CO 0.04 0.35 0.63 0.00 0.00 0.00 0.00 179.25 180.27 2w9q h ARG 21 N 0.31 1.08 -0.19 0.00 3.08 -1.21 -1.66 114.38 115.79 2w9q h ARG 21 Ca 0.04 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.04 2w9q h ARG 21 Cb 0.83 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2w9q h ARG 21 CO 0.06 0.71 0.06 0.35 -1.07 0.00 0.00 179.97 180.09 2w9q h PHE 22 N 1.11 0.11 -0.81 3.04 3.57 -1.48 -1.12 116.94 121.36 2w9q h PHE 22 Ca 0.44 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 2w9q h PHE 22 Cb 0.24 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2w9q h PHE 22 CO -0.01 0.05 0.48 0.00 -2.23 0.00 0.00 178.31 176.60 2w9q h ALA 23 N 1.12 1.31 -0.09 2.41 0.00 -1.20 0.79 119.26 123.60 2w9q h ALA 23 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2w9q h ALA 23 Cb 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2w9q h ALA 23 CO -0.09 0.58 -0.03 0.82 0.00 0.00 0.00 179.25 180.53 2w9q h ILE 24 N 1.12 1.30 -0.48 0.00 1.08 -1.28 0.13 117.51 119.39 2w9q h ILE 24 Ca 0.29 -0.98 0.02 0.00 -0.39 0.00 0.00 64.86 63.80 2w9q h ILE 24 Cb -0.03 1.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 2w9q h ILE 24 CO -0.05 0.28 0.32 -0.61 -0.69 0.00 0.00 178.15 177.39 2w9q h GLN 25 N -0.15 0.56 -0.25 2.37 5.75 -1.09 0.83 115.11 123.14 2w9q h GLN 25 Ca 0.02 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2w9q h GLN 25 Cb 0.45 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2w9q h GLN 25 CO 0.01 0.37 0.12 0.22 -2.65 0.00 0.00 178.83 176.91 2w9q h ASP 26 N 0.58 0.33 -0.03 -0.69 1.82 -0.15 -2.56 116.42 115.72 2w9q h ASP 26 Ca 0.18 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2w9q h ASP 26 Cb 0.03 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 2w9q h ASP 26 CO -0.04 0.36 0.02 0.22 -1.61 0.00 0.00 179.24 178.18 2w9q h TYR 27 N 0.28 0.04 -0.61 0.28 3.20 -0.29 -1.72 116.97 118.16 2w9q h TYR 27 Ca 0.09 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2w9q h TYR 27 Cb 0.11 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2w9q h TYR 27 CO -0.02 0.08 0.26 -0.91 -1.64 0.00 0.00 178.16 175.93 2w9q h ASN 28 N -0.01 0.82 -0.37 -2.11 2.35 -0.84 0.38 115.58 115.79 2w9q h ASN 28 Ca 0.01 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2w9q h ASN 28 Cb 0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2w9q h ASN 28 CO -0.00 0.75 0.20 0.50 -1.65 0.00 0.00 177.43 177.23 2w9q h LYS 29 N 0.84 0.52 0.00 0.81 3.64 -1.39 0.15 116.57 121.14 2w9q h LYS 29 Ca 0.20 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2w9q h LYS 29 Cb 0.17 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2w9q h LYS 29 CO -0.02 0.44 -0.38 0.87 -2.27 0.00 0.00 179.45 178.08 2w9q h LYS 30 N 0.47 0.00 0.00 1.90 6.56 -1.18 -3.30 116.57 121.02 2w9q h LYS 30 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2w9q h LYS 30 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2w9q h LYS 30 CO -0.02 0.38 -0.81 1.04 -2.06 0.00 0.00 179.45 177.98 2w9q n GLN 31 N -3.28 1.66 -3.61 3.15 1.13 0.11 -4.99 117.38 111.56 2w9q n GLN 31 Ca 0.02 -0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.86 2w9q n GLN 31 Cb 0.63 -1.26 0.06 0.00 0.11 0.00 0.00 30.24 29.77 2w9q n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2w9q n ASN 32 N -1.42 -2.37 -4.72 1.08 5.15 0.46 -5.01 115.26 108.44 2w9q n ASN 32 Ca 0.03 -0.71 -0.25 0.00 -0.60 0.00 0.00 54.58 53.05 2w9q n ASN 32 Cb 0.26 -4.54 -0.08 0.00 -0.53 0.00 0.00 39.78 34.89 2w9q n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2w9q s ALA 33 N -3.48 3.52 -0.25 5.20 0.00 -0.78 -5.05 121.76 120.92 2w9q s ALA 33 Ca 0.12 -2.10 0.13 0.00 0.00 0.00 0.00 51.96 50.11 2w9q s ALA 33 Cb -0.06 -0.35 0.46 0.00 0.00 0.00 0.00 23.12 23.17 2w9q s ALA 33 CO 0.77 -0.14 1.17 0.72 0.00 0.00 0.00 175.76 178.29 2w9q n HIS 34 N -1.19 1.73 -2.08 0.00 8.25 -1.26 -4.59 115.22 116.08 2w9q n HIS 34 Ca -0.02 -1.95 -0.38 0.00 -0.26 0.00 0.00 57.72 55.11 2w9q n HIS 34 Cb 0.64 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2w9q n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2w9q s LEU 35 N -3.32 4.06 -0.19 2.41 1.02 -1.26 -4.25 118.68 117.15 2w9q s LEU 35 Ca 0.42 2.54 0.01 0.00 0.02 0.00 0.00 54.13 57.12 2w9q s LEU 35 Cb 0.38 -4.11 0.04 0.00 0.02 0.00 0.00 46.19 42.52 2w9q s LEU 35 CO -0.01 -1.03 -0.10 -1.61 0.02 0.00 0.00 176.35 173.62 2w9q s GLU 36 N -2.55 1.99 0.35 1.70 2.02 0.14 -4.93 118.70 117.42 2w9q s GLU 36 Ca 0.62 -0.77 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 2w9q s GLU 36 Cb -0.35 -2.33 -0.11 0.00 0.10 0.00 0.00 34.13 31.45 2w9q s GLU 36 CO 0.43 -0.40 1.39 0.12 0.02 0.00 0.00 175.26 176.82 2w9q s PHE 37 N 1.43 2.84 -0.00 1.61 2.19 -1.26 -0.37 117.98 124.42 2w9q s PHE 37 Ca -0.00 1.30 -0.02 0.00 0.33 0.00 0.00 56.93 58.54 2w9q s PHE 37 Cb -0.16 -3.84 -0.01 0.00 -1.31 0.00 0.00 43.02 37.71 2w9q s PHE 37 CO -0.08 -2.37 -0.05 0.28 1.83 0.00 0.00 175.22 174.82 2w9q n VAL 38 N 0.65 0.46 -3.57 3.12 0.31 -0.56 -4.88 118.33 113.86 2w9q n VAL 38 Ca 0.00 0.23 -0.16 0.00 -0.01 0.00 0.00 64.34 64.41 2w9q n VAL 38 Cb 0.41 -1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 2w9q n VAL 38 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2w9q s GLU 39 N -1.46 0.94 0.44 5.55 -1.05 -1.17 -5.00 118.70 116.94 2w9q s GLU 39 Ca -0.04 0.59 -0.19 0.00 -0.15 0.00 0.00 54.97 55.18 2w9q s GLU 39 Cb 0.01 0.45 -0.10 0.00 -0.44 0.00 0.00 34.13 34.04 2w9q s GLU 39 CO 0.06 -0.22 0.94 -0.80 0.95 0.00 0.00 175.26 176.18 2w9q s ASN 40 N -0.46 6.86 -0.05 0.83 0.02 -1.26 -0.38 114.94 120.49 2w9q s ASN 40 Ca -0.06 1.62 0.07 0.00 -1.02 0.00 0.00 52.86 53.47 2w9q s ASN 40 Cb -0.02 -2.52 -0.10 0.00 0.02 0.00 0.00 41.25 38.64 2w9q s ASN 40 CO 0.06 -0.39 0.07 0.18 0.02 0.00 0.00 177.10 177.03 2w9q n LEU 41 N -0.81 0.00 -3.64 0.60 4.32 0.28 -4.63 117.00 113.12 2w9q n LEU 41 Ca 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.97 2w9q n LEU 41 Cb 0.54 0.12 -0.07 0.00 -1.62 0.00 0.00 43.42 42.39 2w9q n LEU 41 CO 0.39 0.12 0.79 0.21 -1.22 0.00 0.00 177.39 177.68 2w9q s ASN 42 N -3.54 -0.40 -0.02 -1.43 2.47 -0.89 -4.96 114.94 106.16 2w9q s ASN 42 Ca -0.03 0.78 0.03 0.00 0.42 0.00 0.00 52.86 54.05 2w9q s ASN 42 Cb 0.03 0.79 0.00 0.00 -1.45 0.00 0.00 41.25 40.62 2w9q s ASN 42 CO 0.29 -0.13 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.75 2w9q s VAL 43 N 0.21 0.81 0.14 -5.21 1.01 -1.26 -0.73 120.40 115.37 2w9q s VAL 43 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2w9q s VAL 43 Cb -0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2w9q s VAL 43 CO -0.07 0.25 -0.11 -0.54 0.00 0.00 0.00 175.10 174.62 2w9q s LYS 44 N 0.12 1.03 -0.07 2.72 1.02 -0.88 0.04 119.74 123.72 2w9q s LYS 44 Ca -0.02 -1.36 -0.14 0.00 0.02 0.00 0.00 55.97 54.47 2w9q s LYS 44 Cb -0.08 -0.71 0.03 0.00 -0.52 0.00 0.00 37.83 36.56 2w9q s LYS 44 CO 0.00 0.11 0.33 -1.83 -0.92 0.00 0.00 175.35 173.04 2w9q s GLU 45 N -3.31 0.56 0.03 1.68 -1.05 0.06 -1.48 118.70 115.18 2w9q s GLU 45 Ca 0.13 0.11 0.04 0.00 -0.15 0.00 0.00 54.97 55.11 2w9q s GLU 45 Cb -0.00 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2w9q s GLU 45 CO 0.01 -0.13 -0.13 -0.65 0.95 0.00 0.00 175.26 175.32 2w9q s GLN 46 N -0.66 0.89 -0.16 -4.83 -0.21 -0.23 -1.80 119.66 112.66 2w9q s GLN 46 Ca -0.08 -0.70 -0.20 0.00 0.02 0.00 0.00 55.36 54.41 2w9q s GLN 46 Cb -0.04 -0.88 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 2w9q s GLN 46 CO 0.03 0.22 0.57 0.08 -2.12 0.00 0.00 175.29 174.07 2w9q s VAL 47 N -0.80 5.09 0.00 1.09 1.01 -1.26 0.20 120.40 125.73 2w9q s VAL 47 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2w9q s VAL 47 Cb -0.07 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2w9q s VAL 47 CO 0.01 0.20 0.00 0.52 0.00 0.00 0.00 175.10 175.83 2w9q n VAL 48 N 4.30 0.00 -2.68 2.92 0.31 -1.26 -4.88 118.33 117.03 2w9q n VAL 48 Ca -0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 2w9q n VAL 48 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2w9q n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2w9q n ALA 49 N -3.00 4.99 0.00 3.52 0.00 -1.26 -4.80 120.51 119.95 2w9q n ALA 49 Ca 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 48.98 2w9q n ALA 49 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 2w9q n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w9q n GLY 50 N 2.63 -0.12 3.46 0.00 0.00 -1.26 -4.78 105.19 105.12 2w9q n GLY 50 Ca 0.35 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 2w9q n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w9q s ILE 51 N 0.00 2.85 -0.32 -0.61 -1.09 -0.43 -4.41 121.20 117.19 2w9q s ILE 51 Ca 0.00 -1.11 -0.06 0.00 -2.23 0.00 0.00 60.65 57.24 2w9q s ILE 51 Cb 0.00 -2.19 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 2w9q s ILE 51 CO 0.00 0.37 0.09 -0.04 -1.23 0.00 0.00 174.94 174.13 2w9q s MET 52 N -1.35 2.76 -0.27 2.79 -1.94 0.13 -1.74 119.30 119.67 2w9q s MET 52 Ca 0.14 -1.08 -0.10 0.00 -1.71 0.00 0.00 55.69 52.94 2w9q s MET 52 Cb -0.11 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 2w9q s MET 52 CO 0.05 -0.59 0.16 0.71 -0.01 0.00 0.00 175.02 175.34 2w9q s TYR 53 N 1.42 3.19 -0.75 -0.03 2.02 -0.41 -1.06 117.35 121.73 2w9q s TYR 53 Ca -0.00 -0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 2w9q s TYR 53 Cb -0.19 -2.35 0.19 0.00 -0.40 0.00 0.00 41.96 39.22 2w9q s TYR 53 CO 0.02 -0.21 0.68 0.71 -1.57 0.00 0.00 175.55 175.18 2w9q s TYR 54 N 1.72 3.63 -0.18 2.71 1.51 -0.55 -0.20 117.35 126.00 2w9q s TYR 54 Ca 0.07 -1.93 -0.08 0.00 -1.01 0.00 0.00 57.07 54.11 2w9q s TYR 54 Cb -0.16 -3.75 -0.04 0.00 -0.11 0.00 0.00 41.96 37.90 2w9q s TYR 54 CO 0.09 -0.98 0.10 0.42 -1.11 0.00 0.00 175.55 174.07 2w9q s ILE 55 N 0.44 5.16 -0.17 2.71 1.01 -0.34 -2.08 121.20 127.93 2w9q s ILE 55 Ca 0.15 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 2w9q s ILE 55 Cb -0.15 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2w9q s ILE 55 CO -0.06 0.48 -0.07 -0.89 0.00 0.00 0.00 174.94 174.40 2w9q s THR 56 N 0.15 3.41 0.15 2.92 2.01 0.09 -1.95 115.64 122.43 2w9q s THR 56 Ca 0.07 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 2w9q s THR 56 Cb -0.12 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 2w9q s THR 56 CO -0.00 0.48 0.19 -1.48 -0.69 0.00 0.00 174.62 173.12 2w9q s LEU 57 N 0.80 1.27 -0.16 4.42 -0.00 -0.50 0.10 118.68 124.60 2w9q s LEU 57 Ca -0.03 -1.02 -0.06 0.00 -0.00 0.00 0.00 54.13 53.03 2w9q s LEU 57 Cb -0.15 0.83 -0.04 0.00 -0.00 0.00 0.00 46.19 46.84 2w9q s LEU 57 CO 0.01 -0.83 0.04 0.00 -0.00 0.00 0.00 176.35 175.57 2w9q s ALA 58 N -4.01 3.35 0.08 1.48 0.00 0.49 -0.81 121.76 122.33 2w9q s ALA 58 Ca 0.21 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.45 2w9q s ALA 58 Cb 0.05 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2w9q s ALA 58 CO 0.01 0.28 -0.13 0.00 0.00 0.00 0.00 175.76 175.92 2w9q s ALA 59 N 0.09 1.11 -0.09 0.00 0.00 -0.30 -1.49 121.76 121.09 2w9q s ALA 59 Ca 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 2w9q s ALA 59 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2w9q s ALA 59 CO 0.01 0.10 0.08 0.95 0.00 0.00 0.00 175.76 176.90 2w9q s THR 60 N -1.60 4.96 -0.28 0.00 -4.23 0.50 -1.04 115.64 113.95 2w9q s THR 60 Ca -0.01 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2w9q s THR 60 Cb -0.08 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.64 2w9q s THR 60 CO 0.02 0.56 -0.01 -0.62 -0.54 0.00 0.00 174.62 174.04 2w9q s ASP 61 N -1.12 4.73 -0.23 3.99 3.68 -0.11 -0.68 116.67 126.94 2w9q s ASP 61 Ca 0.16 -1.03 -0.05 0.00 2.13 0.00 0.00 52.55 53.75 2w9q s ASP 61 Cb -0.12 -1.73 -0.05 0.00 -1.45 0.00 0.00 42.92 39.57 2w9q s ASP 61 CO 0.05 -0.21 1.24 0.47 0.13 0.00 0.00 175.17 176.86 2w9q n ASP 62 N 4.69 -1.38 0.00 -0.34 9.92 -1.26 -1.11 116.55 127.07 2w9q n ASP 62 Ca -0.15 -1.58 0.00 0.00 -0.53 0.00 0.00 54.79 52.54 2w9q n ASP 62 Cb 0.45 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 2w9q n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2w9q n ALA 63 N 7.38 0.00 -2.27 2.24 0.00 -1.26 -5.00 120.51 121.60 2w9q n ALA 63 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 2w9q n ALA 63 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 2w9q n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w9q n GLY 64 N 0.00 -0.17 3.70 0.00 0.00 -0.60 -4.98 105.19 103.14 2w9q n GLY 64 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2w9q n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w9q s LYS 65 N -4.78 4.43 0.16 1.61 -0.14 -0.27 -4.72 119.74 116.03 2w9q s LYS 65 Ca 0.00 1.06 -0.27 0.00 -1.36 0.00 0.00 55.97 55.40 2w9q s LYS 65 Cb 0.00 -3.49 -0.08 0.00 -1.68 0.00 0.00 37.83 32.58 2w9q s LYS 65 CO 0.00 -0.08 0.82 0.15 -0.76 0.00 0.00 175.35 175.48 2w9q s LYS 66 N 1.26 4.63 0.03 1.68 1.02 -1.26 -0.93 119.74 126.16 2w9q s LYS 66 Ca 0.41 1.24 0.01 0.00 0.02 0.00 0.00 55.97 57.65 2w9q s LYS 66 Cb -0.18 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2w9q s LYS 66 CO 0.19 0.50 -0.05 0.15 -0.92 0.00 0.00 175.35 175.21 2w9q s LYS 67 N -0.92 0.40 -0.18 1.68 1.02 -0.20 -4.96 119.74 116.57 2w9q s LYS 67 Ca 0.38 -0.65 -0.15 0.00 0.02 0.00 0.00 55.97 55.57 2w9q s LYS 67 Cb -0.23 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 2w9q s LYS 67 CO 0.27 -0.00 0.35 0.42 -0.92 0.00 0.00 175.35 175.47 2w9q s ILE 68 N -1.36 5.25 0.27 2.17 -1.09 -1.26 -1.15 121.20 124.03 2w9q s ILE 68 Ca -0.13 0.63 0.07 0.00 -2.23 0.00 0.00 60.65 58.99 2w9q s ILE 68 Cb -0.10 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 2w9q s ILE 68 CO -0.00 0.31 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.63 2w9q s TYR 69 N 0.93 1.96 -0.03 3.97 2.02 0.01 -2.75 117.35 123.46 2w9q s TYR 69 Ca 0.18 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2w9q s TYR 69 Cb -0.14 -1.08 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2w9q s TYR 69 CO 0.06 0.33 0.04 0.21 -1.57 0.00 0.00 175.55 174.62 2w9q s LYS 70 N -3.70 0.02 -0.05 -0.62 2.20 0.14 -1.42 119.74 116.31 2w9q s LYS 70 Ca 0.29 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.19 2w9q s LYS 70 Cb 0.03 -0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 2w9q s LYS 70 CO 0.12 -0.26 -0.10 0.00 -0.36 0.00 0.00 175.35 174.75 2w9q s ALA 71 N 1.68 2.86 -0.26 3.13 0.00 -0.82 -1.26 121.76 127.09 2w9q s ALA 71 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2w9q s ALA 71 Cb -0.13 -1.11 0.05 0.00 0.00 0.00 0.00 23.12 21.94 2w9q s ALA 71 CO -0.03 0.57 -0.08 0.15 0.00 0.00 0.00 175.76 176.37 2w9q s LYS 72 N -0.87 2.46 -0.08 0.00 1.02 0.02 -1.19 119.74 121.10 2w9q s LYS 72 Ca 0.13 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 54.94 2w9q s LYS 72 Cb -0.11 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 2w9q s LYS 72 CO 0.02 -0.52 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.24 2w9q s ILE 73 N 1.19 1.65 -0.24 2.17 2.07 0.72 0.38 121.20 129.15 2w9q s ILE 73 Ca -0.05 -0.79 -0.16 0.00 -1.41 0.00 0.00 60.65 58.24 2w9q s ILE 73 Cb -0.19 -1.44 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 2w9q s ILE 73 CO -0.05 0.47 0.43 0.86 -1.91 0.00 0.00 174.94 174.74 2w9q s TRP 74 N 0.40 3.31 -0.01 3.50 -0.00 0.92 -1.29 118.94 125.76 2w9q s TRP 74 Ca -0.15 0.57 -0.00 0.00 -0.00 0.00 0.00 56.10 56.52 2w9q s TRP 74 Cb -0.16 -2.60 0.02 0.00 -0.00 0.00 0.00 33.47 30.73 2w9q s TRP 74 CO 0.06 -0.15 0.02 0.54 -0.00 0.00 0.00 176.95 177.42 2w9q s VAL 75 N 1.81 -0.03 -0.40 5.86 0.11 -0.71 0.40 120.40 127.44 2w9q s VAL 75 Ca 0.19 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.37 2w9q s VAL 75 Cb -0.15 -0.05 0.12 0.00 -1.53 0.00 0.00 36.38 34.77 2w9q s VAL 75 CO 0.09 0.05 0.16 -0.54 -3.33 0.00 0.00 175.10 171.52 2w9q s LYS 76 N 0.54 1.36 0.19 1.54 1.02 -0.56 -1.31 119.74 122.52 2w9q s LYS 76 Ca -0.05 -1.89 -0.21 0.00 0.02 0.00 0.00 55.97 53.84 2w9q s LYS 76 Cb -0.07 -2.72 0.11 0.00 -0.52 0.00 0.00 37.83 34.64 2w9q s LYS 76 CO -0.02 -1.05 1.58 0.93 -0.92 0.00 0.00 175.35 175.88 2w9q h GLU 77 N 7.24 -0.16 -0.10 1.68 3.07 -1.96 0.82 114.58 125.17 2w9q h GLU 77 Ca -0.06 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2w9q h GLU 77 Cb 0.97 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 2w9q h GLU 77 CO 0.54 -0.11 -0.04 0.11 -1.40 0.00 0.00 179.01 178.10 2w9q h TRP 78 N -0.17 0.14 -0.29 4.33 5.08 -1.95 -2.45 115.95 120.64 2w9q h TRP 78 Ca 0.23 -0.01 -0.04 0.00 1.08 0.00 0.00 58.89 60.15 2w9q h TRP 78 Cb 0.55 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.65 2w9q h TRP 78 CO -0.65 0.20 0.00 -0.85 -1.28 0.00 0.00 178.44 175.86 2w9q n GLU 79 N -4.40 2.75 -3.42 0.12 0.28 -1.01 -4.98 120.64 109.98 2w9q n GLU 79 Ca -0.01 -2.90 -0.16 0.00 -0.16 0.00 0.00 57.16 53.93 2w9q n GLU 79 Cb 0.17 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.20 2w9q n GLU 79 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2w9q n ASP 80 N -0.62 -2.13 -4.30 -1.84 3.85 -0.92 -4.95 116.55 105.63 2w9q n ASP 80 Ca 0.24 -0.53 -0.35 0.00 -0.71 0.00 0.00 54.79 53.44 2w9q n ASP 80 Cb 0.93 -0.75 -0.14 0.00 -1.35 0.00 0.00 41.12 39.81 2w9q n ASP 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2w9q s PHE 81 N -3.17 2.97 -0.09 2.11 5.36 0.24 -5.02 117.98 120.38 2w9q s PHE 81 Ca 0.09 -0.98 0.03 0.00 -0.96 0.00 0.00 56.93 55.10 2w9q s PHE 81 Cb -0.05 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.53 2w9q s PHE 81 CO 0.44 -0.56 -0.17 0.15 -1.46 0.00 0.00 175.22 173.61 2w9q s LYS 82 N 1.47 2.35 -0.07 10.12 1.02 -1.26 -1.50 119.74 131.87 2w9q s LYS 82 Ca 0.05 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.39 2w9q s LYS 82 Cb -0.14 -1.89 0.04 0.00 -0.52 0.00 0.00 37.83 35.32 2w9q s LYS 82 CO -0.03 0.04 0.13 0.21 -0.92 0.00 0.00 175.35 174.78 2w9q s LYS 83 N 0.68 0.00 -0.29 1.68 2.20 0.16 -4.99 119.74 119.19 2w9q s LYS 83 Ca -0.13 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 55.70 2w9q s LYS 83 Cb -0.16 -0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 35.82 2w9q s LYS 83 CO 0.03 -0.31 1.43 0.08 -0.36 0.00 0.00 175.35 176.22 2w9q s VAL 84 N 2.23 3.95 -0.08 4.02 1.01 -1.26 -0.05 120.40 130.21 2w9q s VAL 84 Ca 0.03 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 2w9q s VAL 84 Cb -0.12 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 31.99 2w9q s VAL 84 CO -0.05 -0.45 0.51 -0.37 0.00 0.00 0.00 175.10 174.74 2w9q h VAL 85 N 6.11 0.75 -3.69 2.92 -1.51 -0.44 -3.48 116.25 116.91 2w9q h VAL 85 Ca -0.29 -2.49 -0.08 0.00 -1.23 0.00 0.00 66.70 62.61 2w9q h VAL 85 Cb 1.12 2.52 -0.14 0.00 -2.13 0.00 0.00 31.29 32.66 2w9q h VAL 85 CO 1.03 0.77 -0.28 -0.70 -1.23 0.00 0.00 177.57 177.16 2w9q s GLU 86 N -2.58 0.91 -0.28 5.19 2.12 -0.94 -4.97 118.70 118.16 2w9q s GLU 86 Ca -0.16 -0.89 -0.09 0.00 0.36 0.00 0.00 54.97 54.19 2w9q s GLU 86 Cb 0.07 0.38 0.13 0.00 0.26 0.00 0.00 34.13 34.97 2w9q s GLU 86 CO 0.80 -0.31 0.60 0.12 -0.54 0.00 0.00 175.26 175.93 2w9q s PHE 87 N -3.85 -1.26 0.32 5.30 2.19 -1.25 -0.80 117.98 118.64 2w9q s PHE 87 Ca 0.04 2.16 -0.17 0.00 0.33 0.00 0.00 56.93 59.29 2w9q s PHE 87 Cb 0.04 0.70 0.03 0.00 -1.31 0.00 0.00 43.02 42.48 2w9q s PHE 87 CO -0.11 -0.65 0.72 -1.59 1.83 0.00 0.00 175.22 175.42 2w9q s LYS 88 N 2.84 1.96 0.43 10.12 -2.85 -0.39 -4.99 119.74 126.88 2w9q s LYS 88 Ca -0.04 -1.24 -0.19 0.00 -1.00 0.00 0.00 55.97 53.49 2w9q s LYS 88 Cb -0.12 0.60 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 2w9q s LYS 88 CO -0.18 -0.90 0.93 -0.51 0.10 0.00 0.00 175.35 174.79 2w9q s LEU 89 N -3.01 3.89 0.00 2.77 1.43 -1.26 0.24 118.68 122.75 2w9q s LEU 89 Ca 0.15 1.61 0.29 0.00 -1.03 0.00 0.00 54.13 55.15 2w9q s LEU 89 Cb -0.05 -4.47 1.31 0.00 0.03 0.00 0.00 46.19 43.01 2w9q s LEU 89 CO 0.10 -0.38 1.89 0.52 0.23 0.00 0.00 176.35 178.71