#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w9p s ILE 5 N 0.00 5.19 -0.24 -0.61 1.01 -1.26 -4.81 121.20 120.48 2w9p s ILE 5 Ca 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 2w9p s ILE 5 Cb 0.00 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2w9p s ILE 5 CO 0.00 0.55 0.61 -0.69 0.00 0.00 0.00 174.94 175.41 2w9p s VAL 6 N -0.47 5.01 0.10 2.92 1.01 -0.19 -4.95 120.40 123.83 2w9p s VAL 6 Ca 0.11 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 2w9p s VAL 6 Cb -0.12 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2w9p s VAL 6 CO 0.02 0.06 1.01 0.21 0.00 0.00 0.00 175.10 176.40 2w9p s ASN 7 N 1.41 7.40 -0.28 3.32 3.84 -1.26 -0.91 114.94 128.47 2w9p s ASN 7 Ca 0.26 1.84 -0.24 0.00 0.21 0.00 0.00 52.86 54.93 2w9p s ASN 7 Cb -0.16 -2.59 -0.00 0.00 -0.55 0.00 0.00 41.25 37.95 2w9p s ASN 7 CO 0.09 -0.16 0.81 -0.69 -2.79 0.00 0.00 177.10 174.36 2w9p s VAL 8 N 0.21 4.81 -0.18 -5.21 1.01 -0.28 -4.91 120.40 115.85 2w9p s VAL 8 Ca 0.49 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.86 2w9p s VAL 8 Cb -0.25 -4.13 0.24 0.00 0.00 0.00 0.00 36.38 32.24 2w9p s VAL 8 CO 0.30 -0.17 1.42 -2.65 0.00 0.00 0.00 175.10 174.01 2w9p n PRO 9 N 6.12 1.49 -2.22 2.72 -0.02 -1.26 -4.34 135.00 137.49 2w9p n PRO 9 Ca 0.05 -1.14 -0.28 0.00 -2.02 0.00 0.00 63.50 60.10 2w9p n PRO 9 Cb 0.48 -1.45 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 2w9p n PRO 9 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2w9p n ASN 10 N -0.04 5.25 -0.27 2.55 3.02 -1.26 -5.02 115.26 119.50 2w9p n ASN 10 Ca 0.23 -3.75 0.03 0.00 -0.03 0.00 0.00 54.58 51.07 2w9p n ASN 10 Cb 0.90 -0.52 0.17 0.00 -0.61 0.00 0.00 39.78 39.72 2w9p n ASN 10 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2w9p h PRO 11 N 2.47 0.61 -1.15 3.52 0.11 -1.98 -0.55 132.00 135.03 2w9p h PRO 11 Ca 0.37 -0.04 -0.45 0.00 0.11 0.00 0.00 66.00 65.99 2w9p h PRO 11 Cb 1.00 -0.14 -0.41 0.00 0.11 0.00 0.00 31.00 31.56 2w9p h PRO 11 CO 0.93 0.40 -0.99 -1.71 -0.21 0.00 0.00 178.00 176.42 2w9p n ASN 12 N -4.86 2.89 -4.84 -2.05 4.05 -1.26 -4.46 115.26 104.74 2w9p n ASN 12 Ca 0.13 -3.11 -0.31 0.00 0.45 0.00 0.00 54.58 51.74 2w9p n ASN 12 Cb 0.33 -0.49 0.02 0.00 1.23 0.00 0.00 39.78 40.87 2w9p n ASN 12 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 2w9p s ASN 13 N -3.35 5.85 0.58 1.20 -0.87 -0.22 -4.76 114.94 113.37 2w9p s ASN 13 Ca 0.36 1.58 0.28 0.00 -1.57 0.00 0.00 52.86 53.52 2w9p s ASN 13 Cb 0.42 -2.49 1.51 0.00 -0.02 0.00 0.00 41.25 40.67 2w9p s ASN 13 CO -0.05 -1.12 1.96 0.71 -2.57 0.00 0.00 177.10 176.03 2w9p h THR 14 N -0.23 0.46 -0.46 1.60 1.35 -1.98 0.17 112.91 113.83 2w9p h THR 14 Ca -0.45 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.30 2w9p h THR 14 Cb 1.20 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2w9p h THR 14 CO 0.59 0.00 -0.16 0.11 -0.25 0.00 0.00 175.52 175.81 2w9p h LYS 15 N 0.00 0.92 -0.39 4.72 1.57 -1.96 -0.61 116.57 120.81 2w9p h LYS 15 Ca 0.20 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.46 2w9p h LYS 15 Cb 1.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2w9p h LYS 15 CO -0.00 1.03 -0.35 0.74 -0.57 0.00 0.00 179.45 180.30 2w9p h PHE 16 N 0.76 1.06 -0.44 -1.35 0.05 -1.42 -0.50 116.94 115.09 2w9p h PHE 16 Ca 0.11 -0.30 -0.13 0.00 3.82 0.00 0.00 57.97 61.48 2w9p h PHE 16 Cb 0.72 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 2w9p h PHE 16 CO 0.05 1.10 -0.22 1.96 -0.18 0.00 0.00 178.31 181.03 2w9p h GLN 17 N 0.74 0.93 -0.02 1.51 4.20 -0.94 -0.32 115.11 121.20 2w9p h GLN 17 Ca 0.07 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 2w9p h GLN 17 Cb 0.92 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2w9p h GLN 17 CO 0.09 1.07 -0.41 0.93 -0.67 0.00 0.00 178.83 179.83 2w9p h GLU 18 N 0.76 0.05 0.05 1.46 3.07 -1.06 -0.62 114.58 118.30 2w9p h GLU 18 Ca 0.10 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2w9p h GLU 18 Cb 0.79 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2w9p h GLU 18 CO 0.07 0.45 -0.03 -0.07 -1.40 0.00 0.00 179.01 178.03 2w9p h LEU 19 N 0.04 -0.06 -0.21 1.33 4.07 -0.51 -0.27 115.31 119.70 2w9p h LEU 19 Ca 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2w9p h LEU 19 Cb 0.74 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2w9p h LEU 19 CO 0.06 0.04 0.10 0.00 -1.08 0.00 0.00 178.44 177.55 2w9p h ALA 20 N 0.79 0.27 0.00 1.53 0.00 -1.02 -0.61 119.26 120.21 2w9p h ALA 20 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2w9p h ALA 20 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2w9p h ALA 20 CO 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.05 2w9p h ARG 21 N 0.20 0.00 0.08 0.00 3.08 -1.02 -0.47 114.38 116.26 2w9p h ARG 21 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2w9p h ARG 21 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2w9p h ARG 21 CO -0.01 0.05 -0.04 0.35 -1.07 0.00 0.00 179.97 179.25 2w9p h PHE 22 N 0.00 -0.10 0.26 3.04 3.57 -0.35 -0.51 116.94 122.85 2w9p h PHE 22 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2w9p h PHE 22 Cb 0.11 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2w9p h PHE 22 CO 0.00 0.20 -0.43 0.00 -2.23 0.00 0.00 178.31 175.84 2w9p h ALA 23 N 0.48 -1.01 -0.43 2.41 0.00 -0.19 -0.65 119.26 119.87 2w9p h ALA 23 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2w9p h ALA 23 Cb 0.34 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2w9p h ALA 23 CO 0.02 -1.08 -0.31 0.82 0.00 0.00 0.00 179.25 178.70 2w9p h ILE 24 N -0.74 0.24 -0.55 0.00 2.04 -1.16 0.12 117.51 117.47 2w9p h ILE 24 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2w9p h ILE 24 Cb 0.68 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 2w9p h ILE 24 CO -0.15 0.00 0.24 1.56 0.00 0.00 0.00 178.15 179.81 2w9p h GLN 25 N -0.23 0.45 -0.75 2.37 7.50 -0.85 0.35 115.11 123.96 2w9p h GLN 25 Ca 0.19 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.28 2w9p h GLN 25 Cb 0.53 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 2w9p h GLN 25 CO -0.56 0.30 0.34 0.22 -1.50 0.00 0.00 178.83 177.63 2w9p h ASP 26 N 0.46 0.98 -0.09 1.46 -0.00 0.76 -0.42 116.42 119.57 2w9p h ASP 26 Ca 0.26 -0.12 0.03 0.00 -0.00 0.00 0.00 57.03 57.20 2w9p h ASP 26 Cb 0.24 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.29 2w9p h ASP 26 CO -0.22 0.84 -0.10 0.22 -0.00 0.00 0.00 179.24 179.98 2w9p h TYR 27 N 1.06 -0.24 -0.75 0.28 3.20 0.72 -0.85 116.97 120.39 2w9p h TYR 27 Ca 0.26 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2w9p h TYR 27 Cb 0.14 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2w9p h TYR 27 CO 0.01 -0.15 0.45 -0.91 -1.64 0.00 0.00 178.16 175.92 2w9p h ASN 28 N -0.12 0.90 -0.63 -2.11 2.35 -0.40 -0.06 115.58 115.51 2w9p h ASN 28 Ca 0.07 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2w9p h ASN 28 Cb 0.22 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2w9p h ASN 28 CO -0.17 0.70 0.14 0.50 -1.65 0.00 0.00 177.43 176.96 2w9p h LYS 29 N 1.02 1.03 0.10 0.81 3.64 -0.60 0.07 116.57 122.64 2w9p h LYS 29 Ca 0.27 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 2w9p h LYS 29 Cb -0.03 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2w9p h LYS 29 CO -0.05 0.92 -0.79 0.87 -2.27 0.00 0.00 179.45 178.13 2w9p h LYS 30 N 0.98 0.36 -0.02 1.90 1.79 -0.73 -3.34 116.57 117.52 2w9p h LYS 30 Ca 0.20 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2w9p h LYS 30 Cb 0.37 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2w9p h LYS 30 CO 0.00 1.21 0.00 1.04 -1.08 0.00 0.00 179.45 180.63 2w9p n GLN 31 N -4.12 1.59 -3.80 3.15 1.13 -0.07 -4.93 117.38 110.32 2w9p n GLN 31 Ca -0.13 -0.86 -0.34 0.00 -1.94 0.00 0.00 57.00 53.73 2w9p n GLN 31 Cb 0.79 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.70 2w9p n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2w9p n ASN 32 N 0.05 -4.50 -4.97 1.08 2.85 -0.15 -5.00 115.26 104.61 2w9p n ASN 32 Ca 0.19 -1.08 -0.21 0.00 -0.11 0.00 0.00 54.58 53.37 2w9p n ASN 32 Cb 0.33 -2.95 0.02 0.00 1.24 0.00 0.00 39.78 38.42 2w9p n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2w9p s ALA 33 N -3.54 3.93 -0.24 5.20 0.00 -0.26 -5.03 121.76 121.82 2w9p s ALA 33 Ca 0.43 -1.25 0.15 0.00 0.00 0.00 0.00 51.96 51.30 2w9p s ALA 33 Cb -0.17 -2.02 0.47 0.00 0.00 0.00 0.00 23.12 21.40 2w9p s ALA 33 CO 0.89 -0.45 1.16 0.72 0.00 0.00 0.00 175.76 178.08 2w9p n HIS 34 N -2.09 1.62 -3.07 0.00 -0.00 -1.26 -4.80 115.22 105.62 2w9p n HIS 34 Ca 0.04 -1.95 -0.40 0.00 -0.00 0.00 0.00 57.72 55.42 2w9p n HIS 34 Cb 0.58 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.26 2w9p n HIS 34 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2w9p s LEU 35 N -3.29 4.30 -0.06 2.41 2.96 -1.26 -4.14 118.68 119.59 2w9p s LEU 35 Ca 0.39 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.39 2w9p s LEU 35 Cb 0.37 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 44.06 2w9p s LEU 35 CO -0.02 -0.12 0.14 -1.61 -1.32 0.00 0.00 176.35 173.42 2w9p s GLU 36 N 0.89 0.11 0.31 1.98 2.02 -0.20 -4.83 118.70 118.97 2w9p s GLU 36 Ca 0.36 0.33 -0.25 0.00 0.02 0.00 0.00 54.97 55.43 2w9p s GLU 36 Cb -0.17 -0.12 -0.16 0.00 0.10 0.00 0.00 34.13 33.78 2w9p s GLU 36 CO 0.17 -0.13 0.43 0.34 0.02 0.00 0.00 175.26 176.09 2w9p n PHE 37 N 3.95 -0.84 0.01 1.61 -0.00 -1.26 -1.01 117.46 119.93 2w9p n PHE 37 Ca -0.23 0.78 -0.01 0.00 -0.00 0.00 0.00 57.45 57.98 2w9p n PHE 37 Cb 0.53 -1.93 -0.00 0.00 -0.00 0.00 0.00 39.48 38.07 2w9p n PHE 37 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2w9p n VAL 38 N -0.44 0.75 -3.79 -2.13 0.31 -0.23 -4.68 118.33 108.11 2w9p n VAL 38 Ca 0.14 0.25 -0.06 0.00 -0.01 0.00 0.00 64.34 64.66 2w9p n VAL 38 Cb 0.33 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 2w9p n VAL 38 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2w9p s GLU 39 N -1.68 1.49 -0.27 5.55 -1.05 -0.27 -5.00 118.70 117.47 2w9p s GLU 39 Ca -0.03 -0.82 -0.16 0.00 -0.15 0.00 0.00 54.97 53.81 2w9p s GLU 39 Cb 0.00 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 2w9p s GLU 39 CO 0.05 -0.68 0.44 -0.80 0.95 0.00 0.00 175.26 175.21 2w9p s ASN 40 N -2.92 6.33 0.16 0.83 0.02 -1.26 -0.79 114.94 117.31 2w9p s ASN 40 Ca 0.11 0.37 -0.12 0.00 -1.02 0.00 0.00 52.86 52.20 2w9p s ASN 40 Cb -0.04 -2.24 0.04 0.00 0.02 0.00 0.00 41.25 39.03 2w9p s ASN 40 CO 0.04 -0.24 1.65 0.25 0.02 0.00 0.00 177.10 178.82 2w9p h LEU 41 N 8.69 0.84 -7.00 0.60 5.85 -1.19 -3.44 115.31 119.66 2w9p h LEU 41 Ca -0.30 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.23 2w9p h LEU 41 Cb 1.15 -0.22 -0.26 0.00 0.37 0.00 0.00 40.66 41.70 2w9p h LEU 41 CO 0.68 0.88 0.51 0.21 -0.34 0.00 0.00 178.44 180.38 2w9p s ASN 42 N -6.26 -0.40 -0.03 1.25 3.84 -0.30 -4.99 114.94 108.04 2w9p s ASN 42 Ca -0.13 0.73 0.05 0.00 0.21 0.00 0.00 52.86 53.72 2w9p s ASN 42 Cb 0.12 0.72 -0.01 0.00 -0.55 0.00 0.00 41.25 41.53 2w9p s ASN 42 CO 0.81 -0.17 -0.17 -0.69 -2.79 0.00 0.00 177.10 174.08 2w9p s VAL 43 N -0.02 1.42 0.01 -5.21 1.01 -1.26 -1.06 120.40 115.27 2w9p s VAL 43 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2w9p s VAL 43 Cb -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2w9p s VAL 43 CO -0.06 0.40 -0.11 -0.54 0.00 0.00 0.00 175.10 174.80 2w9p s LYS 44 N -0.19 0.81 0.02 2.72 1.02 -0.15 -1.12 119.74 122.84 2w9p s LYS 44 Ca 0.02 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.59 2w9p s LYS 44 Cb -0.09 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.43 2w9p s LYS 44 CO 0.01 0.20 -0.19 -2.00 -0.92 0.00 0.00 175.35 172.45 2w9p s GLU 45 N -0.54 1.43 -0.15 1.68 -6.30 -0.08 -0.98 118.70 113.75 2w9p s GLU 45 Ca 0.02 -0.81 -0.07 0.00 -2.50 0.00 0.00 54.97 51.61 2w9p s GLU 45 Cb -0.05 -1.46 0.06 0.00 0.00 0.00 0.00 34.13 32.68 2w9p s GLU 45 CO 0.00 0.38 0.36 -1.14 0.02 0.00 0.00 175.26 174.88 2w9p s GLN 46 N -0.84 0.31 -0.75 4.30 0.74 -0.32 -1.02 119.66 122.09 2w9p s GLN 46 Ca 0.07 0.75 -0.26 0.00 0.05 0.00 0.00 55.36 55.97 2w9p s GLN 46 Cb -0.08 -0.00 0.01 0.00 1.10 0.00 0.00 33.01 34.03 2w9p s GLN 46 CO 0.01 -0.18 1.55 0.08 -0.55 0.00 0.00 175.29 176.19 2w9p s VAL 47 N 1.62 3.60 0.00 1.34 1.01 -1.26 -0.84 120.40 125.87 2w9p s VAL 47 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2w9p s VAL 47 Cb -0.10 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2w9p s VAL 47 CO -0.11 -1.48 0.00 0.52 0.00 0.00 0.00 175.10 174.03 2w9p n VAL 48 N 6.84 0.00 -1.09 2.92 0.31 -1.26 -4.86 118.33 121.19 2w9p n VAL 48 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2w9p n VAL 48 Cb 0.50 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.71 2w9p n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2w9p n ALA 49 N -3.00 3.95 -2.00 3.52 0.00 -1.26 -4.79 120.51 116.93 2w9p n ALA 49 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 50.99 2w9p n ALA 49 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2w9p n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w9p n GLY 50 N -0.41 -0.78 3.06 0.00 0.00 -1.26 -4.96 105.19 100.84 2w9p n GLY 50 Ca 0.32 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 2w9p n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w9p s ILE 51 N 2.41 -0.43 -0.18 -0.61 1.01 -0.38 -4.61 121.20 118.41 2w9p s ILE 51 Ca 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.68 2w9p s ILE 51 Cb 0.00 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 2w9p s ILE 51 CO 0.00 0.10 0.70 -0.32 0.00 0.00 0.00 174.94 175.43 2w9p s MET 52 N 2.37 4.25 0.02 2.79 -2.45 -0.02 -0.92 119.30 125.34 2w9p s MET 52 Ca -0.00 0.77 -0.00 0.00 -1.25 0.00 0.00 55.69 55.20 2w9p s MET 52 Cb -0.12 -3.57 -0.04 0.00 1.25 0.00 0.00 34.83 32.36 2w9p s MET 52 CO -0.09 -0.25 0.11 0.71 1.05 0.00 0.00 175.02 176.55 2w9p s TYR 53 N 1.92 3.34 -0.18 4.11 2.02 -0.17 -1.18 117.35 127.20 2w9p s TYR 53 Ca 0.32 0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 57.23 2w9p s TYR 53 Cb -0.16 -1.74 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2w9p s TYR 53 CO 0.11 0.57 -0.05 0.71 -1.57 0.00 0.00 175.55 175.32 2w9p s TYR 54 N -1.28 1.81 0.06 2.71 1.51 -0.15 -1.20 117.35 120.81 2w9p s TYR 54 Ca 0.26 -1.20 0.06 0.00 -1.01 0.00 0.00 57.07 55.18 2w9p s TYR 54 Cb -0.12 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2w9p s TYR 54 CO 0.17 -0.65 -0.16 0.42 -1.11 0.00 0.00 175.55 174.23 2w9p s ILE 55 N 1.60 1.29 -0.11 2.71 1.01 -0.12 -0.98 121.20 126.59 2w9p s ILE 55 Ca -0.00 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.42 2w9p s ILE 55 Cb -0.16 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2w9p s ILE 55 CO -0.08 -0.08 -0.17 -0.89 0.00 0.00 0.00 174.94 173.73 2w9p s THR 56 N -1.07 1.63 0.30 2.92 2.01 -0.23 -0.83 115.64 120.37 2w9p s THR 56 Ca 0.02 -0.72 0.10 0.00 0.31 0.00 0.00 61.69 61.40 2w9p s THR 56 Cb -0.09 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 2w9p s THR 56 CO 0.02 0.47 -0.14 -1.48 -0.69 0.00 0.00 174.62 172.80 2w9p s LEU 57 N 0.92 2.63 -0.22 4.42 -0.00 -0.25 -0.67 118.68 125.52 2w9p s LEU 57 Ca -0.07 -1.11 -0.08 0.00 -0.00 0.00 0.00 54.13 52.87 2w9p s LEU 57 Cb -0.15 -0.99 -0.04 0.00 -0.00 0.00 0.00 46.19 45.01 2w9p s LEU 57 CO -0.01 -0.10 0.08 0.00 -0.00 0.00 0.00 176.35 176.32 2w9p s ALA 58 N -2.63 3.36 0.08 1.48 0.00 0.03 -1.10 121.76 122.98 2w9p s ALA 58 Ca 0.30 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2w9p s ALA 58 Cb -0.01 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2w9p s ALA 58 CO 0.15 -0.11 -0.14 0.00 0.00 0.00 0.00 175.76 175.66 2w9p s ALA 59 N 0.92 1.19 -0.12 0.00 0.00 -0.26 -1.07 121.76 122.42 2w9p s ALA 59 Ca 0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2w9p s ALA 59 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2w9p s ALA 59 CO 0.03 0.13 -0.07 0.99 0.00 0.00 0.00 175.76 176.84 2w9p s THR 60 N -1.51 3.66 -0.02 0.00 2.01 -0.18 -1.06 115.64 118.54 2w9p s THR 60 Ca -0.00 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2w9p s THR 60 Cb -0.09 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 2w9p s THR 60 CO 0.02 0.53 0.42 -0.62 -0.69 0.00 0.00 174.62 174.29 2w9p s ASP 61 N -0.02 6.80 -0.05 3.53 2.15 -0.18 -1.03 116.67 127.87 2w9p s ASP 61 Ca -0.00 0.94 -0.21 0.00 0.43 0.00 0.00 52.55 53.71 2w9p s ASP 61 Cb -0.14 -2.26 -0.16 0.00 -0.30 0.00 0.00 42.92 40.07 2w9p s ASP 61 CO 0.03 0.26 0.90 -0.78 -0.17 0.00 0.00 175.17 175.41 2w9p h ASP 62 N 5.07 -0.18 -0.03 -0.34 1.82 -1.87 -0.80 116.42 120.09 2w9p h ASP 62 Ca -0.49 -0.35 -0.07 0.00 -0.39 0.00 0.00 57.03 55.73 2w9p h ASP 62 Cb 1.21 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.24 2w9p h ASP 62 CO 0.64 0.36 -0.09 0.00 -1.61 0.00 0.00 179.24 178.55 2w9p n ALA 63 N -2.56 4.70 0.00 -0.78 0.00 -1.26 -4.55 120.51 116.07 2w9p n ALA 63 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2w9p n ALA 63 Cb 0.26 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2w9p n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w9p n GLY 64 N 1.72 -0.68 0.00 0.00 0.00 -1.20 -5.17 105.19 99.87 2w9p n GLY 64 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2w9p n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2w9p n LYS 65 N 0.00 0.00 -1.73 1.61 5.02 -0.31 -4.63 118.16 118.12 2w9p n LYS 65 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2w9p n LYS 65 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2w9p n LYS 65 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2w9p n LYS 66 N 0.00 2.77 -3.83 1.97 4.81 -1.26 -1.01 118.16 121.61 2w9p n LYS 66 Ca 0.00 1.00 -0.12 0.00 -0.87 0.00 0.00 58.31 58.31 2w9p n LYS 66 Cb 0.00 -2.83 -0.13 0.00 0.02 0.00 0.00 35.03 32.10 2w9p n LYS 66 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2w9p s LYS 67 N 0.72 0.17 -0.24 1.64 1.02 -0.23 -4.94 119.74 117.88 2w9p s LYS 67 Ca 0.72 0.13 -0.12 0.00 0.02 0.00 0.00 55.97 56.72 2w9p s LYS 67 Cb -0.50 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 36.84 2w9p s LYS 67 CO 0.37 -0.02 0.22 0.42 -0.92 0.00 0.00 175.35 175.41 2w9p s ILE 68 N -0.03 5.31 0.31 2.17 1.01 -1.26 -1.10 121.20 127.61 2w9p s ILE 68 Ca -0.01 0.30 0.09 0.00 0.00 0.00 0.00 60.65 61.03 2w9p s ILE 68 Cb -0.01 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2w9p s ILE 68 CO 0.00 0.30 0.07 -0.31 0.00 0.00 0.00 174.94 175.01 2w9p s TYR 69 N 1.25 2.69 -0.05 3.97 2.02 -0.26 -1.09 117.35 125.89 2w9p s TYR 69 Ca 0.10 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2w9p s TYR 69 Cb -0.14 -1.45 0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2w9p s TYR 69 CO 0.06 0.47 -0.02 -1.59 -1.57 0.00 0.00 175.55 172.90 2w9p s LYS 70 N -3.76 0.58 0.12 -0.62 0.00 -0.07 -1.09 119.74 114.90 2w9p s LYS 70 Ca 0.35 0.02 0.11 0.00 0.00 0.00 0.00 55.97 56.45 2w9p s LYS 70 Cb -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 37.83 37.00 2w9p s LYS 70 CO 0.21 -0.16 -0.27 0.00 0.00 0.00 0.00 175.35 175.13 2w9p s ALA 71 N 1.27 2.38 -0.13 0.59 0.00 -0.01 -1.07 121.76 124.78 2w9p s ALA 71 Ca -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2w9p s ALA 71 Cb -0.13 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2w9p s ALA 71 CO -0.02 0.54 -0.13 0.15 0.00 0.00 0.00 175.76 176.30 2w9p s LYS 72 N -1.98 2.10 -0.04 0.00 1.02 -0.14 -0.94 119.74 119.76 2w9p s LYS 72 Ca 0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 2w9p s LYS 72 Cb -0.10 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2w9p s LYS 72 CO 0.06 -0.22 0.05 -1.50 -0.92 0.00 0.00 175.35 172.82 2w9p s ILE 73 N 1.47 -0.08 -0.08 2.17 2.07 -0.34 -0.91 121.20 125.49 2w9p s ILE 73 Ca 0.03 0.36 -0.25 0.00 -1.41 0.00 0.00 60.65 59.38 2w9p s ILE 73 Cb -0.13 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 2w9p s ILE 73 CO -0.09 0.16 0.80 0.86 -1.91 0.00 0.00 174.94 174.76 2w9p s TRP 74 N 1.86 3.55 -0.25 3.50 -0.00 -0.09 -1.00 118.94 126.51 2w9p s TRP 74 Ca 0.01 1.34 0.02 0.00 -0.00 0.00 0.00 56.10 57.47 2w9p s TRP 74 Cb -0.12 -2.93 0.06 0.00 -0.00 0.00 0.00 33.47 30.47 2w9p s TRP 74 CO -0.03 -0.03 -0.07 0.08 -0.00 0.00 0.00 176.95 176.90 2w9p s VAL 75 N 1.26 1.77 -1.08 5.86 1.01 -0.10 -1.04 120.40 128.08 2w9p s VAL 75 Ca 0.41 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 2w9p s VAL 75 Cb -0.18 -2.00 0.26 0.00 0.00 0.00 0.00 36.38 34.47 2w9p s VAL 75 CO 0.18 -0.11 1.09 -0.54 0.00 0.00 0.00 175.10 175.72 2w9p s LYS 76 N 1.28 4.11 0.43 2.72 1.02 -0.19 -1.25 119.74 127.85 2w9p s LYS 76 Ca -0.06 -3.06 0.28 0.00 0.02 0.00 0.00 55.97 53.14 2w9p s LYS 76 Cb -0.19 -4.58 1.36 0.00 -0.52 0.00 0.00 37.83 33.90 2w9p s LYS 76 CO -0.06 -1.29 1.65 1.05 -0.92 0.00 0.00 175.35 175.78 2w9p h GLU 77 N 6.87 0.14 -0.91 1.68 4.11 -1.96 -0.20 114.58 124.31 2w9p h GLU 77 Ca 0.18 -0.01 -0.31 0.00 0.07 0.00 0.00 59.36 59.29 2w9p h GLU 77 Cb 0.90 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.93 2w9p h GLU 77 CO 0.99 0.09 0.39 -2.67 0.07 0.00 0.00 179.01 177.89 2w9p n TRP 78 N -4.69 2.30 -1.38 2.06 4.27 -1.26 -3.44 117.44 115.30 2w9p n TRP 78 Ca 0.35 -1.33 0.00 0.00 -3.89 0.00 0.00 57.50 52.63 2w9p n TRP 78 Cb 1.32 -0.72 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 2w9p n TRP 78 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 2w9p n GLU 79 N -0.48 0.00 -4.16 -2.67 2.13 -0.25 -4.97 120.64 110.24 2w9p n GLU 79 Ca 0.42 -0.17 -0.35 0.00 0.66 0.00 0.00 57.16 57.72 2w9p n GLU 79 Cb 1.35 -0.31 -0.02 0.00 0.27 0.00 0.00 31.44 32.73 2w9p n GLU 79 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2w9p n ASP 80 N 0.00 -3.47 -4.77 4.31 8.00 -1.08 -4.93 116.55 114.62 2w9p n ASP 80 Ca 0.00 -0.97 -0.35 0.00 0.71 0.00 0.00 54.79 54.17 2w9p n ASP 80 Cb 0.39 -2.96 -0.08 0.00 -0.02 0.00 0.00 41.12 38.45 2w9p n ASP 80 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2w9p s PHE 81 N -3.31 3.33 -0.02 1.24 5.36 -0.29 -5.01 117.98 119.28 2w9p s PHE 81 Ca 0.70 0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.95 2w9p s PHE 81 Cb -0.38 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2w9p s PHE 81 CO 0.91 0.58 0.09 0.15 -1.46 0.00 0.00 175.22 175.49 2w9p s LYS 82 N -1.05 0.20 -0.20 10.12 3.01 -1.26 -1.03 119.74 129.54 2w9p s LYS 82 Ca 0.15 -0.04 -0.09 0.00 -1.01 0.00 0.00 55.97 54.98 2w9p s LYS 82 Cb -0.12 0.09 0.08 0.00 -1.01 0.00 0.00 37.83 36.87 2w9p s LYS 82 CO 0.04 -0.04 0.44 0.21 0.51 0.00 0.00 175.35 176.52 2w9p s LYS 83 N -0.37 0.39 -0.40 1.68 2.47 -0.21 -4.99 119.74 118.31 2w9p s LYS 83 Ca -0.04 0.96 -0.23 0.00 -1.56 0.00 0.00 55.97 55.09 2w9p s LYS 83 Cb -0.03 0.18 0.02 0.00 -1.46 0.00 0.00 37.83 36.53 2w9p s LYS 83 CO 0.00 -0.20 0.79 0.08 0.16 0.00 0.00 175.35 176.19 2w9p s VAL 84 N 2.00 4.69 -0.12 4.02 1.01 -1.26 -0.92 120.40 129.82 2w9p s VAL 84 Ca -0.06 0.72 0.16 0.00 0.00 0.00 0.00 61.98 62.80 2w9p s VAL 84 Cb -0.10 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 2w9p s VAL 84 CO -0.14 -0.56 0.88 0.58 0.00 0.00 0.00 175.10 175.86 2w9p h VAL 85 N 5.85 0.56 -2.64 2.92 2.07 -1.40 -3.48 116.25 120.13 2w9p h VAL 85 Ca -0.25 -2.06 -0.10 0.00 0.82 0.00 0.00 66.70 65.12 2w9p h VAL 85 Cb 1.09 2.09 -0.21 0.00 -1.52 0.00 0.00 31.29 32.74 2w9p h VAL 85 CO 0.94 0.32 -0.13 -0.70 0.02 0.00 0.00 177.57 178.01 2w9p s GLU 86 N -2.91 0.71 -0.19 1.57 2.12 -0.42 -4.94 118.70 114.65 2w9p s GLU 86 Ca -0.02 0.22 -0.09 0.00 0.36 0.00 0.00 54.97 55.44 2w9p s GLU 86 Cb 0.09 0.33 0.08 0.00 0.26 0.00 0.00 34.13 34.88 2w9p s GLU 86 CO 0.81 -0.17 0.44 0.12 -0.54 0.00 0.00 175.26 175.91 2w9p s PHE 87 N -0.73 -0.75 -0.27 5.30 2.19 -1.26 -0.96 117.98 121.50 2w9p s PHE 87 Ca -0.08 1.48 -0.25 0.00 0.33 0.00 0.00 56.93 58.42 2w9p s PHE 87 Cb -0.03 0.33 0.08 0.00 -1.31 0.00 0.00 43.02 42.09 2w9p s PHE 87 CO 0.04 -0.43 0.80 -1.59 1.83 0.00 0.00 175.22 175.87 2w9p s LYS 88 N 2.01 0.74 0.61 10.12 -2.85 -0.24 -4.99 119.74 125.14 2w9p s LYS 88 Ca -0.06 0.90 -0.17 0.00 -1.00 0.00 0.00 55.97 55.65 2w9p s LYS 88 Cb -0.10 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 2w9p s LYS 88 CO -0.13 -0.09 1.13 -1.17 0.10 0.00 0.00 175.35 175.18 2w9p s LEU 89 N 0.41 3.54 0.00 2.77 2.96 -1.26 -0.90 118.68 126.20 2w9p s LEU 89 Ca 0.00 2.10 0.24 0.00 -0.22 0.00 0.00 54.13 56.26 2w9p s LEU 89 Cb -0.05 -4.57 0.20 0.00 0.50 0.00 0.00 46.19 42.28 2w9p s LEU 89 CO -0.02 -1.49 1.27 0.55 -1.32 0.00 0.00 176.35 175.34