#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 5.04 0.14 -0.61 1.09 -1.26 -4.04 121.20 121.56 2w9p s ILE 5 Ca 0.00 -2.08 -0.30 0.00 -1.10 0.00 0.00 60.65 57.17 2w9p s ILE 5 Cb 0.00 -4.20 -0.07 0.00 -1.06 0.00 0.00 42.46 37.14 2w9p s ILE 5 CO 0.00 -0.92 0.96 -0.69 -0.10 0.00 0.00 174.94 174.20 2w9p s VAL 6 N 0.83 4.38 -0.21 2.92 1.01 -0.27 -4.86 120.40 124.20 2w9p s VAL 6 Ca 0.11 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.94 2w9p s VAL 6 Cb -0.21 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2w9p s VAL 6 CO -0.03 0.35 0.58 0.21 0.00 0.00 0.00 175.10 176.22 2w9p s ASN 7 N -0.25 6.61 -0.22 3.32 2.47 -1.26 -1.06 114.94 124.55 2w9p s ASN 7 Ca 0.46 0.74 -0.18 0.00 0.42 0.00 0.00 52.86 54.30 2w9p s ASN 7 Cb -0.24 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 2w9p s ASN 7 CO 0.31 -0.26 0.51 -0.69 -3.72 0.00 0.00 177.10 173.25 2w9p s VAL 8 N 1.92 5.11 -0.20 -5.21 1.01 -0.27 -4.99 120.40 117.76 2w9p s VAL 8 Ca 0.26 0.91 0.24 0.00 0.00 0.00 0.00 61.98 63.40 2w9p s VAL 8 Cb -0.16 -3.83 0.30 0.00 0.00 0.00 0.00 36.38 32.70 2w9p s VAL 8 CO 0.10 0.16 1.70 -0.65 0.00 0.00 0.00 175.10 176.41 2w9p h PRO 9 N 7.59 0.00 -2.22 2.72 0.11 -1.96 -3.38 132.00 134.86 2w9p h PRO 9 Ca -0.33 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.18 2w9p h PRO 9 Cb 1.15 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.85 2w9p h PRO 9 CO 0.73 0.10 -0.54 0.09 -0.21 0.00 0.00 178.00 178.17 2w9p n ASN 10 N -3.15 3.87 0.33 -2.05 3.02 -1.26 -4.95 115.26 111.07 2w9p n ASN 10 Ca 0.02 -3.45 0.21 0.00 -0.03 0.00 0.00 54.58 51.33 2w9p n ASN 10 Cb 0.49 -0.69 1.12 0.00 -0.61 0.00 0.00 39.78 40.10 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 4.22 0.00 -0.50 3.52 0.11 -1.88 -0.93 132.00 136.54 2w9p h PRO 11 Ca 0.20 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.13 2w9p h PRO 11 Cb 0.66 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.66 2w9p h PRO 11 CO 0.86 0.00 0.11 0.09 -0.21 0.00 0.00 178.00 178.86 2w9p n ASN 12 N -3.23 3.53 -4.72 -2.05 4.13 -1.26 -4.57 115.26 107.08 2w9p n ASN 12 Ca -0.03 -3.43 -0.36 0.00 1.68 0.00 0.00 54.58 52.44 2w9p n ASN 12 Cb 0.09 -0.66 0.08 0.00 -1.54 0.00 0.00 39.78 37.75 2w9p n ASN 12 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2w9p s ASN 13 N -1.90 4.35 0.49 6.41 -0.87 -0.36 -4.60 114.94 118.46 2w9p s ASN 13 Ca 0.48 2.52 0.33 0.00 -1.57 0.00 0.00 52.86 54.62 2w9p s ASN 13 Cb 0.41 -2.61 1.45 0.00 -0.02 0.00 0.00 41.25 40.48 2w9p s ASN 13 CO 0.07 -2.17 1.71 0.71 -2.57 0.00 0.00 177.10 174.85 2w9p h THR 14 N 0.13 0.30 -0.14 1.60 1.35 -1.94 0.00 112.91 114.21 2w9p h THR 14 Ca -0.49 -0.04 -0.20 0.00 -0.55 0.00 0.00 66.41 65.12 2w9p h THR 14 Cb 1.32 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2w9p h THR 14 CO 0.51 0.02 -0.73 0.07 -0.25 0.00 0.00 175.52 175.15 2w9p h LYS 15 N 0.11 0.65 -0.31 4.72 2.10 -1.97 -0.71 116.57 121.16 2w9p h LYS 15 Ca 0.70 -0.51 -0.09 0.00 -2.00 0.00 0.00 60.65 58.75 2w9p h LYS 15 Cb 2.42 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 33.84 2w9p h LYS 15 CO -0.17 1.13 -0.15 0.74 -2.00 0.00 0.00 179.45 179.00 2w9p h PHE 16 N 0.46 0.75 -0.54 0.07 0.05 -1.37 -0.85 116.94 115.51 2w9p h PHE 16 Ca -0.04 -0.19 -0.08 0.00 3.82 0.00 0.00 57.97 61.49 2w9p h PHE 16 Cb 1.33 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 39.09 2w9p h PHE 16 CO 0.07 0.87 0.02 1.96 -0.18 0.00 0.00 178.31 181.05 2w9p h GLN 17 N 0.41 0.94 0.00 1.51 4.20 -1.13 -0.57 115.11 120.47 2w9p h GLN 17 Ca 0.07 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 2w9p h GLN 17 Cb 0.67 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2w9p h GLN 17 CO 0.05 0.94 -0.12 0.93 -0.67 0.00 0.00 178.83 179.96 2w9p h GLU 18 N 0.82 0.00 -0.11 1.46 3.07 -0.95 -0.03 114.58 118.84 2w9p h GLU 18 Ca 0.16 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2w9p h GLU 18 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2w9p h GLU 18 CO 0.02 0.12 -0.29 -0.07 -1.40 0.00 0.00 179.01 177.40 2w9p h LEU 19 N 0.00 0.44 -0.66 1.33 4.07 -0.78 -0.74 115.31 118.97 2w9p h LEU 19 Ca -0.00 -0.59 0.03 0.00 0.08 0.00 0.00 57.88 57.40 2w9p h LEU 19 Cb 0.49 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 2w9p h LEU 19 CO 0.02 0.95 0.40 0.00 -1.08 0.00 0.00 178.44 178.73 2w9p h ALA 20 N 0.50 0.86 -0.14 1.53 0.00 -0.60 -0.55 119.26 120.86 2w9p h ALA 20 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2w9p h ALA 20 Cb 0.90 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2w9p h ALA 20 CO 0.06 0.15 -0.21 -0.09 0.00 0.00 0.00 179.25 179.16 2w9p h ARG 21 N 0.79 -0.26 -0.34 0.00 2.43 -1.05 -0.29 114.38 115.67 2w9p h ARG 21 Ca 0.27 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 2w9p h ARG 21 Cb 0.04 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2w9p h ARG 21 CO -0.11 -0.17 0.12 0.35 -1.51 0.00 0.00 179.97 178.65 2w9p h PHE 22 N -0.26 0.22 -0.55 2.20 3.57 -0.39 -0.17 116.94 121.55 2w9p h PHE 22 Ca 0.10 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.70 2w9p h PHE 22 Cb 0.42 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 2w9p h PHE 22 CO -0.32 0.09 0.20 0.00 -2.23 0.00 0.00 178.31 176.06 2w9p h ALA 23 N 1.21 0.68 -0.39 2.41 0.00 -0.11 -0.49 119.26 122.59 2w9p h ALA 23 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2w9p h ALA 23 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2w9p h ALA 23 CO -0.15 -0.20 0.14 0.82 0.00 0.00 0.00 179.25 179.87 2w9p h ILE 24 N 0.39 1.20 -0.59 0.00 2.04 -0.62 -0.83 117.51 119.09 2w9p h ILE 24 Ca 0.27 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2w9p h ILE 24 Cb 0.30 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2w9p h ILE 24 CO -0.27 0.22 0.25 1.56 0.00 0.00 0.00 178.15 179.92 2w9p h GLN 25 N 0.48 0.85 -0.07 2.37 4.20 -0.40 -0.23 115.11 122.31 2w9p h GLN 25 Ca 0.13 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2w9p h GLN 25 Cb 0.21 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2w9p h GLN 25 CO -0.01 0.68 -0.11 0.22 -0.67 0.00 0.00 178.83 178.94 2w9p h ASP 26 N 0.84 0.22 0.52 1.46 1.82 -0.60 -0.71 116.42 119.97 2w9p h ASP 26 Ca 0.20 -0.53 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 2w9p h ASP 26 Cb 0.14 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.09 2w9p h ASP 26 CO -0.02 0.71 -0.25 0.22 -1.61 0.00 0.00 179.24 178.29 2w9p h TYR 27 N -0.26 -0.65 -0.84 0.28 3.20 -1.10 -0.85 116.97 116.76 2w9p h TYR 27 Ca 0.01 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.05 2w9p h TYR 27 Cb 0.66 0.21 -0.15 0.00 1.54 0.00 0.00 36.73 38.99 2w9p h TYR 27 CO 0.10 -0.39 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.24 2w9p h ASN 28 N -0.72 -0.56 0.29 -2.11 2.35 -1.09 0.31 115.58 114.04 2w9p h ASN 28 Ca -0.07 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2w9p h ASN 28 Cb 0.55 0.45 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2w9p h ASN 28 CO 0.12 -0.25 -0.04 0.29 -1.65 0.00 0.00 177.43 175.89 2w9p n LYS 29 N -5.46 0.78 -0.10 0.81 5.02 -0.27 -1.00 118.16 117.92 2w9p n LYS 29 Ca 0.15 -0.15 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2w9p n LYS 29 Cb 0.51 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 2w9p n LYS 29 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2w9p n LYS 30 N -0.98 0.50 -0.14 1.97 0.00 -0.18 -4.62 118.16 114.71 2w9p n LYS 30 Ca 0.18 0.21 -0.01 0.00 0.00 0.00 0.00 58.31 58.69 2w9p n LYS 30 Cb 0.22 -1.36 0.04 0.00 0.00 0.00 0.00 35.03 33.94 2w9p n LYS 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2w9p n GLN 31 N -4.21 1.38 -3.18 1.64 1.13 -0.08 -4.87 117.38 109.20 2w9p n GLN 31 Ca -0.34 -0.42 -0.11 0.00 -1.94 0.00 0.00 57.00 54.19 2w9p n GLN 31 Cb 0.69 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.60 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 0.17 0.19 -4.84 1.08 5.15 -0.17 -4.91 115.26 111.92 2w9p n ASN 32 Ca 0.06 -0.44 -0.29 0.00 -0.60 0.00 0.00 54.58 53.31 2w9p n ASN 32 Cb 0.50 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 39.16 2w9p n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2w9p s ALA 33 N -3.55 3.75 -0.45 5.20 0.00 -0.18 -5.03 121.76 121.49 2w9p s ALA 33 Ca 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2w9p s ALA 33 Cb -0.01 -1.59 0.14 0.00 0.00 0.00 0.00 23.12 21.66 2w9p s ALA 33 CO 0.34 0.71 0.26 -1.01 0.00 0.00 0.00 175.76 176.05 2w9p s HIS 34 N -1.53 2.06 0.31 0.00 3.76 -1.26 -4.45 115.29 114.18 2w9p s HIS 34 Ca 0.32 -2.49 0.09 0.00 -0.15 0.00 0.00 55.06 52.83 2w9p s HIS 34 Cb -0.12 -1.92 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2w9p s HIS 34 CO 0.25 -0.77 0.03 -1.17 -0.85 0.00 0.00 174.74 172.23 2w9p s LEU 35 N 0.23 3.11 -0.27 0.89 0.20 -1.26 -3.01 118.68 118.58 2w9p s LEU 35 Ca 0.19 -0.82 -0.20 0.00 0.69 0.00 0.00 54.13 53.99 2w9p s LEU 35 Cb -0.22 -1.56 0.07 0.00 -0.43 0.00 0.00 46.19 44.05 2w9p s LEU 35 CO -0.01 -0.16 0.68 -0.70 -0.29 0.00 0.00 176.35 175.87 2w9p s GLU 36 N -3.73 0.75 0.47 1.98 2.12 -0.16 -4.86 118.70 115.27 2w9p s GLU 36 Ca 0.34 1.08 -0.24 0.00 0.36 0.00 0.00 54.97 56.51 2w9p s GLU 36 Cb -0.03 0.26 -0.08 0.00 0.26 0.00 0.00 34.13 34.55 2w9p s GLU 36 CO 0.20 -0.12 1.35 0.34 -0.54 0.00 0.00 175.26 176.49 2w9p n PHE 37 N 3.49 2.37 0.00 5.30 -0.00 -1.26 -1.05 117.46 126.30 2w9p n PHE 37 Ca -0.17 0.45 0.00 0.00 -0.00 0.00 0.00 57.45 57.73 2w9p n PHE 37 Cb 0.57 -2.40 0.00 0.00 -0.00 0.00 0.00 39.48 37.65 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 -0.48 0.00 -4.15 -2.13 0.31 -0.06 -4.79 118.33 107.02 2w9p n VAL 38 Ca 0.07 0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 2w9p n VAL 38 Cb 0.42 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.43 2w9p n VAL 38 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2w9p s GLU 39 N -0.57 0.79 -0.61 5.55 2.12 -0.26 -5.00 118.70 120.72 2w9p s GLU 39 Ca 0.00 -1.29 -0.10 0.00 0.36 0.00 0.00 54.97 53.95 2w9p s GLU 39 Cb 0.00 -0.16 0.16 0.00 0.26 0.00 0.00 34.13 34.38 2w9p s GLU 39 CO 0.00 -0.02 0.50 -0.80 -0.54 0.00 0.00 175.26 174.40 2w9p s ASN 40 N -2.94 5.96 0.17 -1.70 0.01 -1.26 -0.73 114.94 114.44 2w9p s ASN 40 Ca 0.10 -2.32 -0.16 0.00 -0.71 0.00 0.00 52.86 49.76 2w9p s ASN 40 Cb 0.05 -2.06 0.11 0.00 0.41 0.00 0.00 41.25 39.76 2w9p s ASN 40 CO -0.05 -0.61 1.68 -0.07 -1.51 0.00 0.00 177.10 176.54 2w9p h LEU 41 N 8.01 -0.31 -8.03 0.60 -0.00 -1.36 -3.43 115.31 110.79 2w9p h LEU 41 Ca -0.09 0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.85 2w9p h LEU 41 Cb 1.04 0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 41.83 2w9p h LEU 41 CO 0.82 -0.11 -0.11 0.21 -0.00 0.00 0.00 178.44 179.25 2w9p s ASN 42 N -5.23 -0.11 -0.14 -0.43 3.04 -0.23 -4.98 114.94 106.86 2w9p s ASN 42 Ca -0.14 -0.77 -0.07 0.00 0.04 0.00 0.00 52.86 51.92 2w9p s ASN 42 Cb 0.14 0.55 0.05 0.00 -1.54 0.00 0.00 41.25 40.46 2w9p s ASN 42 CO 0.71 -1.06 0.33 0.54 -3.04 0.00 0.00 177.10 174.58 2w9p s VAL 43 N -3.96 -0.03 0.06 -5.21 0.11 -1.26 -0.93 120.40 109.17 2w9p s VAL 43 Ca 0.17 0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.41 2w9p s VAL 43 Cb 0.00 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2w9p s VAL 43 CO 0.03 0.05 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.11 2w9p s LYS 44 N 1.31 1.28 -0.07 1.54 1.02 -0.18 -1.11 119.74 123.52 2w9p s LYS 44 Ca -0.09 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 54.94 2w9p s LYS 44 Cb -0.09 -1.41 0.02 0.00 -0.52 0.00 0.00 37.83 35.83 2w9p s LYS 44 CO -0.10 0.35 -0.08 -2.00 -0.92 0.00 0.00 175.35 172.60 2w9p s GLU 45 N -1.33 1.27 0.00 1.68 2.12 -0.22 -0.92 118.70 121.30 2w9p s GLU 45 Ca 0.06 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.18 2w9p s GLU 45 Cb -0.09 -1.21 -0.01 0.00 0.26 0.00 0.00 34.13 33.09 2w9p s GLU 45 CO 0.02 -0.10 -0.05 -1.14 -0.54 0.00 0.00 175.26 173.45 2w9p s GLN 46 N 1.07 0.42 -0.99 4.30 0.74 -0.32 -1.11 119.66 123.76 2w9p s GLN 46 Ca -0.08 -0.27 -0.18 0.00 0.05 0.00 0.00 55.36 54.89 2w9p s GLN 46 Cb -0.14 -0.37 0.14 0.00 1.10 0.00 0.00 33.01 33.74 2w9p s GLN 46 CO -0.01 0.10 1.19 0.08 -0.55 0.00 0.00 175.29 176.10 2w9p s VAL 47 N -0.31 4.81 0.00 1.34 1.01 -1.26 -0.83 120.40 125.15 2w9p s VAL 47 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.16 2w9p s VAL 47 Cb -0.03 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.54 2w9p s VAL 47 CO -0.00 -1.53 0.00 0.55 0.00 0.00 0.00 175.10 174.12 2w9p n VAL 48 N 5.28 0.00 0.12 2.92 3.14 -1.26 -4.88 118.33 123.65 2w9p n VAL 48 Ca 0.27 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.40 2w9p n VAL 48 Cb 0.48 -0.01 -0.16 0.00 -1.06 0.00 0.00 33.84 33.09 2w9p n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2w9p h ALA 49 N -2.00 -0.08 -3.00 1.55 0.00 -1.93 -3.45 119.26 110.35 2w9p h ALA 49 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2w9p h ALA 49 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2w9p h ALA 49 CO 0.00 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2w9p n GLY 50 N 1.76 0.54 2.88 0.00 0.00 -1.26 -5.07 105.19 104.03 2w9p n GLY 50 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 1.12 -0.01 -0.14 -0.61 -1.09 -0.29 -4.44 121.20 115.74 2w9p s ILE 51 Ca 0.00 0.03 -0.02 0.00 -2.23 0.00 0.00 60.65 58.44 2w9p s ILE 51 Cb 0.00 -0.05 -0.02 0.00 -1.58 0.00 0.00 42.46 40.81 2w9p s ILE 51 CO 0.00 0.01 -0.09 -0.32 -1.23 0.00 0.00 174.94 173.31 2w9p s MET 52 N 0.17 3.50 -0.22 2.79 -2.45 -0.01 -0.71 119.30 122.37 2w9p s MET 52 Ca -0.01 -0.62 -0.04 0.00 -1.25 0.00 0.00 55.69 53.77 2w9p s MET 52 Cb -0.02 -2.76 -0.00 0.00 1.25 0.00 0.00 34.83 33.30 2w9p s MET 52 CO -0.00 0.21 -0.05 0.71 1.05 0.00 0.00 175.02 176.93 2w9p s TYR 53 N 0.40 2.96 -0.47 4.11 2.02 -0.10 -1.18 117.35 125.09 2w9p s TYR 53 Ca -0.08 -1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 55.44 2w9p s TYR 53 Cb -0.15 -2.10 0.06 0.00 -0.40 0.00 0.00 41.96 39.37 2w9p s TYR 53 CO 0.04 -0.58 0.42 0.71 -1.57 0.00 0.00 175.55 174.58 2w9p s TYR 54 N 1.46 3.21 -0.04 2.71 1.51 -0.10 -0.97 117.35 125.13 2w9p s TYR 54 Ca 0.05 -0.81 0.06 0.00 -1.01 0.00 0.00 57.07 55.36 2w9p s TYR 54 Cb -0.14 -3.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.53 2w9p s TYR 54 CO -0.04 -0.81 -0.21 0.96 -1.11 0.00 0.00 175.55 174.34 2w9p s ILE 55 N 1.83 2.47 -0.20 2.71 -4.36 -0.18 -1.01 121.20 122.45 2w9p s ILE 55 Ca 0.06 -0.94 -0.07 0.00 -0.26 0.00 0.00 60.65 59.44 2w9p s ILE 55 Cb -0.23 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 2w9p s ILE 55 CO 0.08 0.58 0.07 -0.89 0.24 0.00 0.00 174.94 175.02 2w9p s THR 56 N -0.55 4.67 -0.10 8.37 2.01 -0.11 -1.06 115.64 128.88 2w9p s THR 56 Ca 0.08 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 2w9p s THR 56 Cb -0.11 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.30 2w9p s THR 56 CO 0.01 0.42 0.28 -1.48 -0.69 0.00 0.00 174.62 173.16 2w9p s LEU 57 N 0.70 0.94 -0.17 4.42 -0.00 -0.23 -0.90 118.68 123.45 2w9p s LEU 57 Ca 0.03 0.52 -0.29 0.00 -0.00 0.00 0.00 54.13 54.39 2w9p s LEU 57 Cb -0.13 0.97 -0.03 0.00 -0.00 0.00 0.00 46.19 47.00 2w9p s LEU 57 CO 0.02 -0.12 1.45 0.00 -0.00 0.00 0.00 176.35 177.70 2w9p s ALA 58 N 0.04 3.52 -0.04 1.48 0.00 0.09 -0.99 121.76 125.86 2w9p s ALA 58 Ca -0.01 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 2w9p s ALA 58 Cb -0.02 -3.73 0.03 0.00 0.00 0.00 0.00 23.12 19.40 2w9p s ALA 58 CO 0.01 -1.50 0.06 0.00 0.00 0.00 0.00 175.76 174.33 2w9p s ALA 59 N 4.16 0.13 -0.42 0.00 0.00 -0.29 -0.88 121.76 124.46 2w9p s ALA 59 Ca 0.64 0.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 2w9p s ALA 59 Cb -0.25 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.38 2w9p s ALA 59 CO 0.23 -0.36 0.61 0.99 0.00 0.00 0.00 175.76 177.23 2w9p s THR 60 N 1.79 4.88 -0.80 0.00 2.01 -0.22 -1.10 115.64 122.20 2w9p s THR 60 Ca -0.00 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.88 2w9p s THR 60 Cb -0.12 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 2w9p s THR 60 CO -0.03 -0.51 1.99 -0.62 -0.69 0.00 0.00 174.62 174.75 2w9p s ASP 61 N 1.94 5.02 0.24 3.53 -1.08 -0.19 -0.99 116.67 125.14 2w9p s ASP 61 Ca 0.21 -0.28 -0.11 0.00 -0.52 0.00 0.00 52.55 51.85 2w9p s ASP 61 Cb -0.15 -2.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.10 2w9p s ASP 61 CO 0.17 -2.77 1.60 0.44 0.52 0.00 0.00 175.17 175.13 2w9p h ASP 62 N 12.68 -0.71 0.00 -0.34 3.32 -1.80 0.43 116.42 130.00 2w9p h ASP 62 Ca -0.01 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2w9p h ASP 62 Cb 1.05 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.08 2w9p h ASP 62 CO 1.19 -0.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.46 2w9p n ALA 63 N -3.27 2.31 -2.00 3.45 0.00 -1.25 -4.59 120.51 115.15 2w9p n ALA 63 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2w9p n ALA 63 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.38 0.94 0.00 0.00 0.00 0.14 -5.18 105.19 101.47 2w9p n GLY 64 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 1.61 5.02 -0.20 -4.86 118.16 119.73 2w9p n LYS 65 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2w9p n LYS 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2w9p n LYS 65 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2w9p n LYS 66 N 0.00 0.00 -2.84 1.97 2.85 -1.26 -1.02 118.16 117.85 2w9p n LYS 66 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2w9p n LYS 66 Cb 0.00 -0.88 -0.04 0.00 -0.65 0.00 0.00 35.03 33.47 2w9p n LYS 66 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2w9p s LYS 67 N 1.12 4.38 -0.04 -1.58 1.02 -0.26 -4.90 119.74 119.47 2w9p s LYS 67 Ca 0.00 1.14 -0.12 0.00 0.02 0.00 0.00 55.97 57.01 2w9p s LYS 67 Cb 0.00 -3.53 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 2w9p s LYS 67 CO 0.00 -0.23 0.32 0.42 -0.92 0.00 0.00 175.35 174.93 2w9p s ILE 68 N 1.78 5.20 0.32 2.17 -1.09 -1.26 -1.14 121.20 127.18 2w9p s ILE 68 Ca 0.42 0.62 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 2w9p s ILE 68 Cb -0.18 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2w9p s ILE 68 CO 0.16 0.59 0.15 -0.31 -1.23 0.00 0.00 174.94 174.30 2w9p s TYR 69 N -1.03 1.66 -0.21 3.97 2.02 -0.16 -1.12 117.35 122.47 2w9p s TYR 69 Ca 0.21 -1.33 -0.04 0.00 -0.37 0.00 0.00 57.07 55.54 2w9p s TYR 69 Cb -0.15 -0.94 0.11 0.00 -0.40 0.00 0.00 41.96 40.58 2w9p s TYR 69 CO 0.10 -0.45 0.36 -1.59 -1.57 0.00 0.00 175.55 172.40 2w9p s LYS 70 N -3.80 0.30 -0.04 -0.62 -2.85 -0.01 -1.06 119.74 111.65 2w9p s LYS 70 Ca 0.34 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 2w9p s LYS 70 Cb 0.05 -0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.52 2w9p s LYS 70 CO 0.17 -0.49 -0.02 0.00 0.10 0.00 0.00 175.35 175.11 2w9p s ALA 71 N 2.53 3.20 -0.24 0.59 0.00 -0.22 -0.91 121.76 126.71 2w9p s ALA 71 Ca 0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2w9p s ALA 71 Cb -0.14 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2w9p s ALA 71 CO -0.14 0.61 -0.06 0.15 0.00 0.00 0.00 175.76 176.32 2w9p s LYS 72 N -1.17 2.97 -0.13 0.00 1.02 -0.15 -1.01 119.74 121.27 2w9p s LYS 72 Ca 0.16 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2w9p s LYS 72 Cb -0.11 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2w9p s LYS 72 CO 0.06 -0.34 -0.12 -1.50 -0.92 0.00 0.00 175.35 172.52 2w9p s ILE 73 N 1.36 1.37 -0.15 2.17 1.10 -0.15 -1.00 121.20 125.90 2w9p s ILE 73 Ca 0.02 -0.50 -0.24 0.00 -0.51 0.00 0.00 60.65 59.42 2w9p s ILE 73 Cb -0.16 -1.31 -0.02 0.00 0.15 0.00 0.00 42.46 41.12 2w9p s ILE 73 CO -0.05 0.42 0.75 0.86 -2.11 0.00 0.00 174.94 174.82 2w9p s TRP 74 N 1.54 3.45 -0.07 3.50 -0.00 -0.27 -0.93 118.94 126.16 2w9p s TRP 74 Ca 0.04 1.18 0.02 0.00 -0.00 0.00 0.00 56.10 57.34 2w9p s TRP 74 Cb -0.13 -2.92 0.02 0.00 -0.00 0.00 0.00 33.47 30.44 2w9p s TRP 74 CO -0.09 -0.15 -0.10 0.08 -0.00 0.00 0.00 176.95 176.69 2w9p s VAL 75 N 1.76 1.01 -0.63 5.86 1.01 0.11 -1.02 120.40 128.50 2w9p s VAL 75 Ca 0.36 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2w9p s VAL 75 Cb -0.17 -0.95 0.17 0.00 0.00 0.00 0.00 36.38 35.43 2w9p s VAL 75 CO 0.13 0.33 0.45 -0.54 0.00 0.00 0.00 175.10 175.48 2w9p s LYS 76 N 0.88 2.05 0.29 2.72 1.02 -0.18 -1.13 119.74 125.39 2w9p s LYS 76 Ca -0.11 -3.02 0.03 0.00 0.02 0.00 0.00 55.97 52.89 2w9p s LYS 76 Cb -0.15 -2.88 0.45 0.00 -0.52 0.00 0.00 37.83 34.73 2w9p s LYS 76 CO 0.01 -1.31 1.75 0.93 -0.92 0.00 0.00 175.35 175.80 2w9p h GLU 77 N 5.46 0.46 -0.31 1.68 5.08 -1.95 0.30 114.58 125.30 2w9p h GLU 77 Ca 0.18 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2w9p h GLU 77 Cb 0.79 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2w9p h GLU 77 CO 0.62 0.66 0.00 -2.67 -1.00 0.00 0.00 179.01 176.62 2w9p n TRP 78 N -4.14 0.00 -0.74 4.33 4.27 -1.26 -2.33 117.44 117.57 2w9p n TRP 78 Ca -0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2w9p n TRP 78 Cb 0.38 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.24 0.00 -3.26 -2.67 2.13 -0.22 -5.04 120.64 111.33 2w9p n GLU 79 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2w9p n GLU 79 Cb 0.08 -0.12 0.08 0.00 0.27 0.00 0.00 31.44 31.75 2w9p n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2w9p n ASP 80 N 0.00 -3.46 -4.19 4.31 2.03 0.90 -5.02 116.55 111.12 2w9p n ASP 80 Ca 0.00 -0.60 -0.29 0.00 0.52 0.00 0.00 54.79 54.42 2w9p n ASP 80 Cb 0.09 -4.83 -0.16 0.00 -0.72 0.00 0.00 41.12 35.50 2w9p n ASP 80 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2w9p s PHE 81 N -3.34 2.07 -0.04 -0.67 2.19 -0.21 -5.00 117.98 112.98 2w9p s PHE 81 Ca 0.14 -0.65 0.00 0.00 0.33 0.00 0.00 56.93 56.75 2w9p s PHE 81 Cb -0.02 -1.38 0.03 0.00 -1.31 0.00 0.00 43.02 40.33 2w9p s PHE 81 CO 0.68 -0.22 -0.01 0.15 1.83 0.00 0.00 175.22 177.65 2w9p s LYS 82 N 0.04 0.45 -0.04 10.12 3.01 -1.26 -1.01 119.74 131.06 2w9p s LYS 82 Ca -0.06 0.05 0.01 0.00 -1.01 0.00 0.00 55.97 54.96 2w9p s LYS 82 Cb -0.13 -0.62 0.02 0.00 -1.01 0.00 0.00 37.83 36.08 2w9p s LYS 82 CO 0.04 -0.15 -0.06 0.21 0.51 0.00 0.00 175.35 175.90 2w9p s LYS 83 N 1.14 0.89 -0.34 1.68 2.47 -0.19 -5.00 119.74 120.39 2w9p s LYS 83 Ca -0.08 -0.17 -0.29 0.00 -1.56 0.00 0.00 55.97 53.87 2w9p s LYS 83 Cb -0.14 -0.85 0.02 0.00 -1.46 0.00 0.00 37.83 35.40 2w9p s LYS 83 CO -0.02 -0.02 1.12 0.54 0.16 0.00 0.00 175.35 177.14 2w9p s VAL 84 N 0.66 4.41 -0.17 4.02 0.11 -1.26 -1.12 120.40 127.05 2w9p s VAL 84 Ca -0.09 1.60 -0.21 0.00 -2.93 0.00 0.00 61.98 60.34 2w9p s VAL 84 Cb -0.13 -4.40 -0.22 0.00 -1.53 0.00 0.00 36.38 30.11 2w9p s VAL 84 CO 0.01 -0.55 0.38 0.58 -3.33 0.00 0.00 175.10 172.18 2w9p h VAL 85 N 5.84 1.07 -1.60 2.04 2.07 -1.45 -3.48 116.25 120.74 2w9p h VAL 85 Ca -0.22 -2.25 -0.08 0.00 0.82 0.00 0.00 66.70 64.97 2w9p h VAL 85 Cb 1.07 2.52 -0.27 0.00 -1.52 0.00 0.00 31.29 33.09 2w9p h VAL 85 CO 1.05 0.46 -0.43 -0.70 0.02 0.00 0.00 177.57 177.97 2w9p s GLU 86 N -2.37 0.42 -0.40 1.57 2.12 -0.93 -4.93 118.70 114.18 2w9p s GLU 86 Ca -0.25 0.62 -0.09 0.00 0.36 0.00 0.00 54.97 55.60 2w9p s GLU 86 Cb 0.04 -0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.35 2w9p s GLU 86 CO 0.65 -0.70 0.24 0.12 -0.54 0.00 0.00 175.26 175.03 2w9p s PHE 87 N 2.64 3.32 0.28 5.30 2.19 -1.26 -0.98 117.98 129.47 2w9p s PHE 87 Ca 0.14 -1.43 0.11 0.00 0.33 0.00 0.00 56.93 56.09 2w9p s PHE 87 Cb -0.15 -2.81 -0.05 0.00 -1.31 0.00 0.00 43.02 38.70 2w9p s PHE 87 CO -0.19 -0.81 -0.14 0.15 1.83 0.00 0.00 175.22 176.06 2w9p s LYS 88 N 1.44 1.86 0.00 10.12 1.02 -0.09 -5.01 119.74 129.08 2w9p s LYS 88 Ca 0.02 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.34 2w9p s LYS 88 Cb -0.22 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2w9p s LYS 88 CO 0.03 0.34 0.00 1.28 -0.92 0.00 0.00 175.35 176.07 2w9p n LEU 89 N -0.70 0.00 0.00 3.17 7.99 -1.26 -0.83 117.00 125.37 2w9p n LEU 89 Ca -0.05 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.02 2w9p n LEU 89 Cb 0.60 0.00 0.43 0.00 -0.11 0.00 0.00 43.42 44.33 2w9p n LEU 89 CO 0.39 -0.04 0.64 0.52 -1.51 0.00 0.00 177.39 177.38