#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 2.97 -0.05 -0.61 -0.00 -1.25 -4.02 121.20 118.23 2w9p s ILE 5 Ca 0.00 0.78 -0.02 0.00 -0.00 0.00 0.00 60.65 61.41 2w9p s ILE 5 Cb 0.00 -3.43 0.04 0.00 -0.00 0.00 0.00 42.46 39.07 2w9p s ILE 5 CO 0.00 0.05 0.10 -0.69 -0.00 0.00 0.00 174.94 174.39 2w9p s VAL 6 N -1.42 -0.15 0.03 8.37 1.01 -0.16 -4.94 120.40 123.14 2w9p s VAL 6 Ca 0.60 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 2w9p s VAL 6 Cb -0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2w9p s VAL 6 CO 0.40 0.15 0.97 0.21 0.00 0.00 0.00 175.10 176.83 2w9p s ASN 7 N 2.04 7.40 -0.50 3.32 3.84 -1.26 -0.97 114.94 128.81 2w9p s ASN 7 Ca 0.02 1.69 -0.26 0.00 0.21 0.00 0.00 52.86 54.51 2w9p s ASN 7 Cb -0.12 -2.57 0.03 0.00 -0.55 0.00 0.00 41.25 38.04 2w9p s ASN 7 CO -0.04 -0.19 1.01 -0.69 -2.79 0.00 0.00 177.10 174.40 2w9p s VAL 8 N 0.69 4.33 0.10 -5.21 1.01 -0.07 -4.95 120.40 116.30 2w9p s VAL 8 Ca 0.50 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.04 2w9p s VAL 8 Cb -0.22 -4.53 -0.11 0.00 0.00 0.00 0.00 36.38 31.52 2w9p s VAL 8 CO 0.28 -1.00 1.73 1.55 0.00 0.00 0.00 175.10 177.66 2w9p h PRO 9 N 9.22 -0.01 -2.54 2.72 0.13 -1.94 -3.29 132.00 136.30 2w9p h PRO 9 Ca -0.24 0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 64.08 2w9p h PRO 9 Cb 1.07 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.92 2w9p h PRO 9 CO 1.08 -0.01 0.88 0.27 -0.23 0.00 0.00 178.00 179.99 2w9p n ASN 10 N -5.13 6.87 0.29 1.44 0.23 -1.26 -4.89 115.26 112.81 2w9p n ASN 10 Ca -0.06 -3.57 0.17 0.00 -0.53 0.00 0.00 54.58 50.59 2w9p n ASN 10 Cb 0.07 -1.20 0.85 0.00 -2.08 0.00 0.00 39.78 37.42 2w9p n ASN 10 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2w9p h PRO 11 N 4.71 0.00 0.00 -0.53 0.13 -1.95 -0.67 132.00 133.69 2w9p h PRO 11 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 2w9p h PRO 11 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2w9p h PRO 11 CO 1.24 0.05 0.00 0.27 -0.23 0.00 0.00 178.00 179.33 2w9p n ASN 12 N -3.33 0.00 -4.74 1.44 6.94 -1.26 -4.42 115.26 109.88 2w9p n ASN 12 Ca -0.01 -1.00 -0.41 0.00 -0.02 0.00 0.00 54.58 53.13 2w9p n ASN 12 Cb 0.21 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 2w9p n ASN 12 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2w9p s ASN 13 N -1.53 6.95 0.60 0.53 3.84 -0.26 -4.82 114.94 120.25 2w9p s ASN 13 Ca 0.03 2.38 0.28 0.00 0.21 0.00 0.00 52.86 55.77 2w9p s ASN 13 Cb 0.01 -2.61 1.45 0.00 -0.55 0.00 0.00 41.25 39.55 2w9p s ASN 13 CO 0.02 -0.47 1.86 0.71 -2.79 0.00 0.00 177.10 176.43 2w9p h THR 14 N 3.65 0.29 -0.18 -5.21 1.35 -1.90 0.11 112.91 111.01 2w9p h THR 14 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2w9p h THR 14 Cb 1.22 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 2w9p h THR 14 CO 0.75 0.00 0.12 0.11 -0.25 0.00 0.00 175.52 176.25 2w9p h LYS 15 N 0.00 0.24 -0.16 4.72 1.79 -1.93 -0.51 116.57 120.73 2w9p h LYS 15 Ca 0.20 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.47 2w9p h LYS 15 Cb 1.20 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2w9p h LYS 15 CO -0.00 0.16 -0.66 0.74 -1.08 0.00 0.00 179.45 178.61 2w9p h PHE 16 N 0.25 0.79 -0.50 -1.35 0.05 -1.32 -0.49 116.94 114.37 2w9p h PHE 16 Ca 0.07 -0.32 -0.06 0.00 3.82 0.00 0.00 57.97 61.48 2w9p h PHE 16 Cb -0.03 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.77 2w9p h PHE 16 CO -0.06 1.09 0.07 1.96 -0.18 0.00 0.00 178.31 181.18 2w9p h GLN 17 N 0.44 0.84 0.00 1.51 1.08 -0.98 -0.51 115.11 117.48 2w9p h GLN 17 Ca -0.02 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 2w9p h GLN 17 Cb 1.24 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2w9p h GLN 17 CO 0.13 0.84 -0.08 0.93 -0.95 0.00 0.00 178.83 179.70 2w9p h GLU 18 N 0.71 0.00 -0.04 1.46 3.07 -1.00 -0.06 114.58 118.71 2w9p h GLU 18 Ca 0.15 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 2w9p h GLU 18 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2w9p h GLU 18 CO 0.01 0.08 -0.05 1.25 -1.40 0.00 0.00 179.01 178.90 2w9p h LEU 19 N 0.00 0.11 -0.45 1.33 5.85 -0.87 -0.78 115.31 120.51 2w9p h LEU 19 Ca -0.00 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2w9p h LEU 19 Cb 0.67 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2w9p h LEU 19 CO 0.01 0.60 0.29 0.00 -0.34 0.00 0.00 178.44 179.00 2w9p h ALA 20 N 0.52 0.57 -0.69 1.25 0.00 -0.76 -0.79 119.26 119.36 2w9p h ALA 20 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2w9p h ALA 20 Cb 0.57 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2w9p h ALA 20 CO 0.01 0.01 0.45 -0.09 0.00 0.00 0.00 179.25 179.63 2w9p h ARG 21 N 0.59 0.88 -0.26 0.00 1.12 -1.02 -0.44 114.38 115.26 2w9p h ARG 21 Ca 0.17 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 59.03 2w9p h ARG 21 Cb -0.05 -0.20 -0.05 0.00 -0.01 0.00 0.00 29.97 29.66 2w9p h ARG 21 CO -0.04 0.58 -0.03 0.35 -3.11 0.00 0.00 179.97 177.72 2w9p h PHE 22 N 0.91 -0.08 -0.64 2.20 3.57 -0.49 -0.39 116.94 122.02 2w9p h PHE 22 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2w9p h PHE 22 Cb -0.07 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2w9p h PHE 22 CO -0.03 -0.08 0.40 0.00 -2.23 0.00 0.00 178.31 176.37 2w9p h ALA 23 N 1.25 0.81 0.51 2.41 0.00 -0.19 -0.28 119.26 123.76 2w9p h ALA 23 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2w9p h ALA 23 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2w9p h ALA 23 CO -0.24 0.27 -0.34 0.82 0.00 0.00 0.00 179.25 179.76 2w9p h ILE 24 N 0.86 0.00 -0.74 0.00 1.08 -0.85 -0.36 117.51 117.50 2w9p h ILE 24 Ca 0.23 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.87 2w9p h ILE 24 Cb -0.05 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.58 2w9p h ILE 24 CO -0.05 0.00 0.14 -0.61 -0.69 0.00 0.00 178.15 176.95 2w9p h GLN 25 N -0.80 0.22 0.12 2.37 -0.00 -0.80 0.37 115.11 116.59 2w9p h GLN 25 Ca -0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2w9p h GLN 25 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.08 2w9p h GLN 25 CO 0.05 0.15 -0.06 0.22 0.00 0.00 0.00 178.83 179.19 2w9p h ASP 26 N 0.23 -0.13 0.01 -0.69 1.82 -1.02 -0.65 116.42 115.99 2w9p h ASP 26 Ca 0.42 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.06 2w9p h ASP 26 Cb 0.73 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.78 2w9p h ASP 26 CO -0.55 -0.09 -0.01 0.22 -1.61 0.00 0.00 179.24 177.21 2w9p h TYR 27 N -0.17 -0.02 0.00 0.28 3.20 0.15 -0.84 116.97 119.57 2w9p h TYR 27 Ca -0.02 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 2w9p h TYR 27 Cb 0.13 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2w9p h TYR 27 CO -0.07 0.03 -0.34 -2.95 -1.64 0.00 0.00 178.16 173.19 2w9p h ASN 28 N -0.06 0.00 -0.06 -2.11 -1.07 -1.02 -0.43 115.58 110.84 2w9p h ASN 28 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.34 2w9p h ASN 28 Cb 0.06 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.31 2w9p h ASN 28 CO 0.00 0.34 -0.09 0.50 0.07 0.00 0.00 177.43 178.26 2w9p h LYS 29 N 0.00 0.16 0.00 4.14 3.64 -1.03 0.01 116.57 123.49 2w9p h LYS 29 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2w9p h LYS 29 Cb 0.86 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2w9p h LYS 29 CO 0.04 0.65 0.00 1.63 -2.27 0.00 0.00 179.45 179.50 2w9p n LYS 30 N -4.69 0.18 0.00 1.90 5.02 -0.33 -1.91 118.16 118.33 2w9p n LYS 30 Ca -0.08 0.39 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 2w9p n LYS 30 Cb 0.33 -1.83 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 2w9p n LYS 30 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2w9p n GLN 31 N -2.16 2.27 -1.57 1.97 -0.06 -0.20 -4.97 117.38 112.66 2w9p n GLN 31 Ca 0.03 -0.49 -0.10 0.00 -2.00 0.00 0.00 57.00 54.44 2w9p n GLN 31 Cb 0.24 -1.12 -0.03 0.00 -4.06 0.00 0.00 30.24 25.26 2w9p n GLN 31 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2w9p n ASN 32 N -0.50 -2.72 -4.91 1.69 0.23 -0.18 -4.96 115.26 103.91 2w9p n ASN 32 Ca 0.04 0.24 -0.27 0.00 -0.53 0.00 0.00 54.58 54.06 2w9p n ASN 32 Cb 0.24 -2.58 0.05 0.00 -2.08 0.00 0.00 39.78 35.41 2w9p n ASN 32 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2w9p s ALA 33 N -1.98 3.09 -0.79 -2.53 0.00 -0.23 -4.97 121.76 114.34 2w9p s ALA 33 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2w9p s ALA 33 Cb 0.00 -2.73 0.35 0.00 0.00 0.00 0.00 23.12 20.74 2w9p s ALA 33 CO 0.00 -1.16 1.61 0.72 0.00 0.00 0.00 175.76 176.93 2w9p n HIS 34 N -2.88 3.18 -2.68 0.00 8.25 -1.26 -4.60 115.22 115.23 2w9p n HIS 34 Ca 0.07 -2.84 -0.43 0.00 -0.26 0.00 0.00 57.72 54.25 2w9p n HIS 34 Cb 0.59 -0.88 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 2w9p n HIS 34 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2w9p s LEU 35 N -3.97 3.96 -0.08 2.41 1.98 -1.26 -3.65 118.68 118.06 2w9p s LEU 35 Ca 0.46 1.01 0.01 0.00 -2.89 0.00 0.00 54.13 52.72 2w9p s LEU 35 Cb 0.32 -3.48 -0.03 0.00 0.66 0.00 0.00 46.19 43.66 2w9p s LEU 35 CO -0.23 -0.84 -0.09 -1.61 -1.89 0.00 0.00 176.35 171.68 2w9p s GLU 36 N 3.55 2.86 0.63 1.98 2.02 -0.20 -4.80 118.70 124.75 2w9p s GLU 36 Ca 0.44 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.65 2w9p s GLU 36 Cb -0.12 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2w9p s GLU 36 CO 0.15 0.55 1.17 0.12 0.02 0.00 0.00 175.26 177.26 2w9p s PHE 37 N -0.51 2.43 0.04 1.61 2.19 -1.26 -1.06 117.98 121.42 2w9p s PHE 37 Ca 0.07 1.55 0.00 0.00 0.33 0.00 0.00 56.93 58.88 2w9p s PHE 37 Cb -0.12 -3.36 0.00 0.00 -1.31 0.00 0.00 43.02 38.23 2w9p s PHE 37 CO 0.02 -2.04 0.00 0.28 1.83 0.00 0.00 175.22 175.31 2w9p n VAL 38 N -2.00 0.21 -3.44 3.12 0.31 -0.30 -4.63 118.33 111.60 2w9p n VAL 38 Ca 0.12 0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.51 2w9p n VAL 38 Cb 0.51 -0.86 -0.00 0.00 -0.91 0.00 0.00 33.84 32.58 2w9p n VAL 38 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2w9p n GLU 39 N -2.74 0.09 -4.31 5.55 2.13 -0.14 -5.00 120.64 116.22 2w9p n GLU 39 Ca 0.00 -0.29 -0.23 0.00 0.66 0.00 0.00 57.16 57.30 2w9p n GLU 39 Cb 0.00 0.30 -0.13 0.00 0.27 0.00 0.00 31.44 31.88 2w9p n GLU 39 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2w9p s ASN 40 N -1.23 2.41 -0.22 4.31 0.02 -1.26 -0.99 114.94 117.97 2w9p s ASN 40 Ca 0.03 -0.65 -0.03 0.00 -1.02 0.00 0.00 52.86 51.18 2w9p s ASN 40 Cb -0.00 -0.13 -0.13 0.00 0.02 0.00 0.00 41.25 41.01 2w9p s ASN 40 CO 0.02 0.05 -0.23 0.18 0.02 0.00 0.00 177.10 177.14 2w9p n LEU 41 N 1.21 2.51 -3.52 0.60 4.77 -0.03 -4.81 117.00 117.73 2w9p n LEU 41 Ca -0.19 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 2w9p n LEU 41 Cb 0.54 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2w9p n LEU 41 CO 0.22 0.73 0.60 0.54 -1.33 0.00 0.00 177.39 178.16 2w9p s ASN 42 N -6.45 -0.48 0.01 -1.43 2.20 -0.40 -5.00 114.94 103.39 2w9p s ASN 42 Ca -0.30 0.35 0.06 0.00 -0.94 0.00 0.00 52.86 52.03 2w9p s ASN 42 Cb 0.09 0.43 -0.02 0.00 -2.00 0.00 0.00 41.25 39.76 2w9p s ASN 42 CO 0.47 -0.57 -0.18 -0.69 -2.94 0.00 0.00 177.10 173.19 2w9p s VAL 43 N -1.94 1.44 0.11 3.54 1.01 -1.26 -1.00 120.40 122.31 2w9p s VAL 43 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2w9p s VAL 43 Cb -0.01 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2w9p s VAL 43 CO -0.00 0.27 -0.07 -0.54 0.00 0.00 0.00 175.10 174.76 2w9p s LYS 44 N -0.78 0.91 -0.09 2.72 1.02 -0.17 -0.90 119.74 122.45 2w9p s LYS 44 Ca 0.06 -1.38 -0.05 0.00 0.02 0.00 0.00 55.97 54.63 2w9p s LYS 44 Cb -0.08 -0.31 0.04 0.00 -0.52 0.00 0.00 37.83 36.97 2w9p s LYS 44 CO 0.00 -0.00 0.21 -2.00 -0.92 0.00 0.00 175.35 172.64 2w9p s GLU 45 N -3.82 0.18 -0.03 1.68 2.12 -0.14 -1.05 118.70 117.63 2w9p s GLU 45 Ca 0.14 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.91 2w9p s GLU 45 Cb 0.05 -0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.37 2w9p s GLU 45 CO -0.03 -0.14 0.01 -1.14 -0.54 0.00 0.00 175.26 173.42 2w9p s GLN 46 N 1.02 0.25 -0.90 4.30 0.74 -0.16 -0.99 119.66 123.93 2w9p s GLN 46 Ca -0.08 0.10 -0.23 0.00 0.05 0.00 0.00 55.36 55.20 2w9p s GLN 46 Cb -0.09 -0.46 0.06 0.00 1.10 0.00 0.00 33.01 33.62 2w9p s GLN 46 CO -0.06 -0.15 1.31 0.14 -0.55 0.00 0.00 175.29 175.99 2w9p s VAL 47 N 1.06 4.02 0.00 1.34 -7.23 -1.26 -1.03 120.40 117.30 2w9p s VAL 47 Ca -0.09 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 2w9p s VAL 47 Cb -0.13 -4.95 0.00 0.00 0.56 0.00 0.00 36.38 31.86 2w9p s VAL 47 CO -0.02 -1.81 0.00 0.55 -0.31 0.00 0.00 175.10 173.51 2w9p n VAL 48 N 6.46 0.00 0.03 1.32 3.14 -1.26 -4.39 118.33 123.63 2w9p n VAL 48 Ca 0.20 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 2w9p n VAL 48 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 2w9p n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2w9p n ALA 49 N -3.00 2.47 -2.71 1.55 0.00 -1.26 -4.96 120.51 112.60 2w9p n ALA 49 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2w9p n ALA 49 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 0.11 4.80 2.76 0.00 0.00 -1.26 -5.02 105.19 106.59 2w9p n GLY 50 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 3.67 0.33 -0.24 -0.61 1.09 -0.23 -4.68 121.20 120.53 2w9p s ILE 51 Ca 0.00 0.15 -0.10 0.00 -1.10 0.00 0.00 60.65 59.59 2w9p s ILE 51 Cb 0.00 -0.49 -0.05 0.00 -1.06 0.00 0.00 42.46 40.86 2w9p s ILE 51 CO 0.00 0.25 0.16 -0.32 -0.10 0.00 0.00 174.94 174.93 2w9p s MET 52 N 1.95 4.06 -0.10 2.79 1.75 -0.19 -0.94 119.30 128.60 2w9p s MET 52 Ca 0.04 -0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.18 2w9p s MET 52 Cb -0.12 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 33.99 2w9p s MET 52 CO -0.05 0.06 -0.00 0.71 -0.65 0.00 0.00 175.02 175.09 2w9p s TYR 53 N 1.05 3.14 -0.28 4.11 2.02 -0.04 -0.98 117.35 126.37 2w9p s TYR 53 Ca 0.07 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 2w9p s TYR 53 Cb -0.13 -1.83 0.07 0.00 -0.40 0.00 0.00 41.96 39.66 2w9p s TYR 53 CO 0.04 0.37 -0.07 0.71 -1.57 0.00 0.00 175.55 175.03 2w9p s TYR 54 N -0.60 3.36 -0.15 2.71 1.51 -0.22 -0.97 117.35 122.99 2w9p s TYR 54 Ca 0.10 -2.39 -0.02 0.00 -1.01 0.00 0.00 57.07 53.75 2w9p s TYR 54 Cb -0.12 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2w9p s TYR 54 CO 0.02 -0.88 -0.08 0.42 -1.11 0.00 0.00 175.55 173.91 2w9p s ILE 55 N 1.08 3.41 -0.58 2.71 1.01 -0.07 -1.00 121.20 127.76 2w9p s ILE 55 Ca -0.05 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 2w9p s ILE 55 Cb -0.20 -2.47 0.15 0.00 0.01 0.00 0.00 42.46 39.95 2w9p s ILE 55 CO -0.05 0.50 0.45 -0.89 0.00 0.00 0.00 174.94 174.95 2w9p s THR 56 N 0.48 4.38 0.41 2.92 2.01 -0.17 -0.88 115.64 124.79 2w9p s THR 56 Ca -0.06 -2.20 0.08 0.00 0.31 0.00 0.00 61.69 59.82 2w9p s THR 56 Cb -0.15 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2w9p s THR 56 CO 0.04 -0.85 0.54 -1.48 -0.69 0.00 0.00 174.62 172.18 2w9p s LEU 57 N 0.79 3.69 -0.10 4.42 0.05 -0.05 -0.85 118.68 126.62 2w9p s LEU 57 Ca 0.11 -0.41 0.02 0.00 0.05 0.00 0.00 54.13 53.90 2w9p s LEU 57 Cb -0.22 -2.63 -0.01 0.00 -2.05 0.00 0.00 46.19 41.28 2w9p s LEU 57 CO -0.03 -0.71 -0.18 0.00 -0.55 0.00 0.00 176.35 174.88 2w9p s ALA 58 N -2.33 2.41 -0.15 1.48 0.00 -0.16 -1.06 121.76 121.94 2w9p s ALA 58 Ca 0.53 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 2w9p s ALA 58 Cb -0.10 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.08 2w9p s ALA 58 CO 0.32 0.31 0.39 0.00 0.00 0.00 0.00 175.76 176.79 2w9p s ALA 59 N 0.19 -0.98 -0.23 0.00 0.00 -0.15 -0.97 121.76 119.62 2w9p s ALA 59 Ca -0.11 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.77 2w9p s ALA 59 Cb -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2w9p s ALA 59 CO 0.06 -0.20 0.94 0.99 0.00 0.00 0.00 175.76 177.55 2w9p s THR 60 N 0.45 4.76 -0.14 0.00 2.01 -0.22 -1.09 115.64 121.42 2w9p s THR 60 Ca -0.02 1.81 -0.15 0.00 0.31 0.00 0.00 61.69 63.64 2w9p s THR 60 Cb -0.04 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2w9p s THR 60 CO -0.02 -0.12 0.36 -0.62 -0.69 0.00 0.00 174.62 173.53 2w9p s ASP 61 N 1.26 6.54 -0.76 3.53 2.15 -0.24 -1.04 116.67 128.11 2w9p s ASP 61 Ca 0.40 0.64 -0.25 0.00 0.43 0.00 0.00 52.55 53.77 2w9p s ASP 61 Cb -0.15 -2.22 -0.16 0.00 -0.30 0.00 0.00 42.92 40.08 2w9p s ASP 61 CO 0.07 0.09 2.45 0.47 -0.17 0.00 0.00 175.17 178.07 2w9p n ASP 62 N 3.47 1.13 0.00 -0.34 10.43 -1.24 -1.14 116.55 128.85 2w9p n ASP 62 Ca -0.11 -0.59 0.00 0.00 2.57 0.00 0.00 54.79 56.67 2w9p n ASP 62 Cb 0.52 -1.28 0.00 0.00 1.84 0.00 0.00 41.12 42.20 2w9p n ASP 62 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w9p n ALA 63 N 13.72 0.00 -0.33 2.24 0.00 -1.26 -4.91 120.51 129.97 2w9p n ALA 63 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2w9p n ALA 63 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 1.44 3.67 0.00 0.00 -0.64 -4.95 105.19 104.70 2w9p n GLY 64 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 1.72 -1.60 1.61 4.01 -0.29 -4.68 118.16 116.93 2w9p n LYS 65 Ca 0.00 0.63 -0.40 0.00 -0.51 0.00 0.00 58.31 58.03 2w9p n LYS 65 Cb 0.00 -2.37 -0.02 0.00 -0.51 0.00 0.00 35.03 32.13 2w9p n LYS 65 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2w9p n LYS 66 N 4.65 3.73 -2.37 1.97 5.02 -1.26 -1.08 118.16 128.81 2w9p n LYS 66 Ca 0.21 -2.63 -0.43 0.00 -2.02 0.00 0.00 58.31 53.45 2w9p n LYS 66 Cb 0.23 -2.86 -0.02 0.00 -0.02 0.00 0.00 35.03 32.36 2w9p n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2w9p s LYS 67 N 1.55 3.95 0.06 1.97 1.02 -0.25 -4.75 119.74 123.29 2w9p s LYS 67 Ca 0.60 1.39 -0.28 0.00 0.02 0.00 0.00 55.97 57.70 2w9p s LYS 67 Cb 0.17 -3.89 -0.05 0.00 -0.52 0.00 0.00 37.83 33.54 2w9p s LYS 67 CO -0.07 -1.08 0.90 0.42 -0.92 0.00 0.00 175.35 174.60 2w9p s ILE 68 N 4.35 4.67 0.10 2.17 -1.09 -1.26 -0.98 121.20 129.16 2w9p s ILE 68 Ca 0.58 1.92 0.02 0.00 -2.23 0.00 0.00 60.65 60.94 2w9p s ILE 68 Cb -0.19 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2w9p s ILE 68 CO 0.23 0.29 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.85 2w9p s TYR 69 N 0.25 0.87 -0.11 3.97 2.02 -0.23 -1.01 117.35 123.12 2w9p s TYR 69 Ca 0.45 -0.92 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2w9p s TYR 69 Cb -0.22 -0.51 0.02 0.00 -0.40 0.00 0.00 41.96 40.85 2w9p s TYR 69 CO 0.27 -0.16 -0.11 0.15 -1.57 0.00 0.00 175.55 174.13 2w9p s LYS 70 N -3.81 1.82 0.08 -0.62 1.02 -0.21 -0.87 119.74 117.15 2w9p s LYS 70 Ca 0.11 -0.39 0.07 0.00 0.02 0.00 0.00 55.97 55.78 2w9p s LYS 70 Cb 0.05 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2w9p s LYS 70 CO -0.05 -0.16 -0.14 0.00 -0.92 0.00 0.00 175.35 174.08 2w9p s ALA 71 N 1.30 2.79 -0.19 5.17 0.00 -0.06 -1.04 121.76 129.73 2w9p s ALA 71 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2w9p s ALA 71 Cb -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.22 2w9p s ALA 71 CO -0.05 0.61 -0.08 0.15 0.00 0.00 0.00 175.76 176.39 2w9p s LYS 72 N -1.92 1.82 -0.18 0.00 3.01 -0.17 -0.90 119.74 121.41 2w9p s LYS 72 Ca 0.18 -0.76 0.01 0.00 -1.01 0.00 0.00 55.97 54.39 2w9p s LYS 72 Cb -0.11 -2.32 0.02 0.00 -1.01 0.00 0.00 37.83 34.42 2w9p s LYS 72 CO 0.10 -0.44 -0.17 0.42 0.51 0.00 0.00 175.35 175.77 2w9p s ILE 73 N 1.46 1.87 -0.34 2.17 1.01 -0.15 -0.94 121.20 126.29 2w9p s ILE 73 Ca -0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 2w9p s ILE 73 Cb -0.16 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 2w9p s ILE 73 CO -0.08 0.45 0.30 0.86 0.00 0.00 0.00 174.94 176.47 2w9p s TRP 74 N 1.35 3.22 -0.18 3.97 -0.00 -0.21 -0.86 118.94 126.23 2w9p s TRP 74 Ca 0.04 -0.10 -0.00 0.00 -0.00 0.00 0.00 56.10 56.03 2w9p s TRP 74 Cb -0.14 -2.57 0.01 0.00 -0.00 0.00 0.00 33.47 30.77 2w9p s TRP 74 CO -0.11 -0.39 -0.16 0.08 -0.00 0.00 0.00 176.95 176.37 2w9p s VAL 75 N 1.87 2.47 -0.81 5.86 1.01 -0.12 -1.06 120.40 129.62 2w9p s VAL 75 Ca 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2w9p s VAL 75 Cb -0.17 -2.06 0.22 0.00 0.00 0.00 0.00 36.38 34.37 2w9p s VAL 75 CO 0.11 0.51 0.75 0.29 0.00 0.00 0.00 175.10 176.75 2w9p n LYS 76 N 4.55 2.52 -0.28 2.72 4.76 -0.22 -1.06 118.16 131.15 2w9p n LYS 76 Ca -0.20 -4.53 0.20 0.00 -2.87 0.00 0.00 58.31 50.91 2w9p n LYS 76 Cb 0.51 -2.35 0.51 0.00 -1.84 0.00 0.00 35.03 31.85 2w9p n LYS 76 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2w9p h GLU 77 N 5.41 0.40 0.00 1.97 4.11 -1.94 0.13 114.58 124.65 2w9p h GLU 77 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2w9p h GLU 77 Cb 0.75 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2w9p h GLU 77 CO 0.85 0.27 -0.23 -2.67 0.07 0.00 0.00 179.01 177.30 2w9p n TRP 78 N -4.55 0.26 -1.92 2.06 4.27 -1.26 -2.87 117.44 113.43 2w9p n TRP 78 Ca 0.22 0.08 -0.08 0.00 -3.89 0.00 0.00 57.50 53.83 2w9p n TRP 78 Cb 0.76 -0.55 0.10 0.00 -1.36 0.00 0.00 31.31 30.27 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 -1.74 2.37 -3.53 -2.67 0.00 -0.18 -5.02 120.64 109.88 2w9p n GLU 79 Ca 0.06 -3.61 -0.24 0.00 0.00 0.00 0.00 57.16 53.37 2w9p n GLU 79 Cb 0.37 -1.80 0.01 0.00 0.00 0.00 0.00 31.44 30.02 2w9p n GLU 79 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2w9p n ASP 80 N -0.80 -4.18 -3.70 4.31 5.68 -0.54 -4.91 116.55 112.41 2w9p n ASP 80 Ca 0.28 -0.71 -0.13 0.00 -0.50 0.00 0.00 54.79 53.73 2w9p n ASP 80 Cb 0.85 -1.35 -0.09 0.00 -1.14 0.00 0.00 41.12 39.38 2w9p n ASP 80 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2w9p s PHE 81 N -2.54 -0.56 -0.10 2.11 5.36 -0.15 -4.98 117.98 117.12 2w9p s PHE 81 Ca 0.06 1.33 -0.05 0.00 -0.96 0.00 0.00 56.93 57.31 2w9p s PHE 81 Cb -0.01 0.20 0.04 0.00 -0.34 0.00 0.00 43.02 42.92 2w9p s PHE 81 CO 0.76 -0.27 0.24 0.15 -1.46 0.00 0.00 175.22 174.64 2w9p s LYS 82 N 0.41 0.21 -0.11 10.12 1.02 -1.26 -1.05 119.74 129.07 2w9p s LYS 82 Ca -0.01 0.51 -0.04 0.00 0.02 0.00 0.00 55.97 56.45 2w9p s LYS 82 Cb -0.04 -0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.23 2w9p s LYS 82 CO -0.01 -0.15 0.18 0.21 -0.92 0.00 0.00 175.35 174.65 2w9p s LYS 83 N 1.17 0.07 -0.40 1.68 2.20 -0.22 -5.00 119.74 119.24 2w9p s LYS 83 Ca -0.09 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.73 2w9p s LYS 83 Cb -0.10 -0.48 0.02 0.00 -1.51 0.00 0.00 37.83 35.76 2w9p s LYS 83 CO -0.08 -0.38 1.22 0.08 -0.36 0.00 0.00 175.35 175.83 2w9p s VAL 84 N 2.31 4.18 -0.67 4.02 1.01 -1.26 -1.04 120.40 128.94 2w9p s VAL 84 Ca 0.03 1.26 0.22 0.00 0.00 0.00 0.00 61.98 63.50 2w9p s VAL 84 Cb -0.13 -4.40 -0.18 0.00 0.00 0.00 0.00 36.38 31.68 2w9p s VAL 84 CO -0.07 -0.76 0.92 1.33 0.00 0.00 0.00 175.10 176.52 2w9p n VAL 85 N 6.60 0.08 -3.49 2.92 0.24 -0.12 -4.98 118.33 119.58 2w9p n VAL 85 Ca 0.14 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 2w9p n VAL 85 Cb 0.48 0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 33.24 2w9p n VAL 85 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2w9p s GLU 86 N -3.17 1.04 -0.30 7.34 2.12 -1.01 -4.93 118.70 119.79 2w9p s GLU 86 Ca 0.04 -0.05 -0.10 0.00 0.36 0.00 0.00 54.97 55.21 2w9p s GLU 86 Cb 0.15 0.49 0.15 0.00 0.26 0.00 0.00 34.13 35.18 2w9p s GLU 86 CO 0.83 -0.39 0.77 0.12 -0.54 0.00 0.00 175.26 176.05 2w9p s PHE 87 N -2.22 -1.14 0.02 5.30 2.19 -1.24 -1.00 117.98 119.89 2w9p s PHE 87 Ca -0.04 1.80 -0.15 0.00 0.33 0.00 0.00 56.93 58.87 2w9p s PHE 87 Cb -0.00 0.62 0.02 0.00 -1.31 0.00 0.00 43.02 42.35 2w9p s PHE 87 CO -0.01 -0.58 0.32 -1.59 1.83 0.00 0.00 175.22 175.20 2w9p s LYS 88 N 2.76 0.76 0.13 10.12 0.00 -0.21 -4.95 119.74 128.35 2w9p s LYS 88 Ca -0.01 -0.34 -0.31 0.00 0.00 0.00 0.00 55.97 55.31 2w9p s LYS 88 Cb -0.11 0.34 -0.08 0.00 0.00 0.00 0.00 37.83 37.98 2w9p s LYS 88 CO -0.18 -0.23 1.45 -1.17 0.00 0.00 0.00 175.35 175.21 2w9p s LEU 89 N -1.72 4.37 0.00 2.77 0.20 -1.26 -1.04 118.68 121.99 2w9p s LEU 89 Ca -0.09 2.41 0.20 0.00 0.69 0.00 0.00 54.13 57.34 2w9p s LEU 89 Cb -0.03 -3.59 0.16 0.00 -0.43 0.00 0.00 46.19 42.31 2w9p s LEU 89 CO 0.00 -0.71 1.14 0.52 -0.29 0.00 0.00 176.35 177.01