#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 3.97 -0.10 -0.61 1.10 -1.26 -4.00 121.20 120.30 2w9p s ILE 5 Ca 0.00 1.17 -0.06 0.00 -0.51 0.00 0.00 60.65 61.24 2w9p s ILE 5 Cb 0.00 -3.78 0.04 0.00 0.15 0.00 0.00 42.46 38.87 2w9p s ILE 5 CO 0.00 -0.13 0.25 -0.69 -2.11 0.00 0.00 174.94 172.26 2w9p s VAL 6 N 3.86 -0.03 0.03 4.00 1.01 -0.14 -4.98 120.40 124.15 2w9p s VAL 6 Ca 0.63 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 62.48 2w9p s VAL 6 Cb -0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2w9p s VAL 6 CO 0.22 0.05 0.74 0.21 0.00 0.00 0.00 175.10 176.31 2w9p s ASN 7 N 1.00 7.17 -0.30 3.32 3.84 -1.26 -0.85 114.94 127.86 2w9p s ASN 7 Ca -0.07 1.40 -0.09 0.00 0.21 0.00 0.00 52.86 54.31 2w9p s ASN 7 Cb -0.08 -2.45 -0.01 0.00 -0.55 0.00 0.00 41.25 38.15 2w9p s ASN 7 CO -0.07 0.02 0.14 0.68 -2.79 0.00 0.00 177.10 175.09 2w9p s VAL 8 N -0.03 4.60 -0.20 -5.21 -7.23 -0.18 -4.97 120.40 107.18 2w9p s VAL 8 Ca 0.38 -0.38 0.29 0.00 -1.81 0.00 0.00 61.98 60.46 2w9p s VAL 8 Cb -0.20 -3.32 0.33 0.00 0.56 0.00 0.00 36.38 33.75 2w9p s VAL 8 CO 0.22 0.10 1.85 -0.65 -0.31 0.00 0.00 175.10 176.31 2w9p h PRO 9 N 8.34 0.00 -2.91 4.82 0.11 -1.97 -3.25 132.00 137.14 2w9p h PRO 9 Ca -0.33 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.05 2w9p h PRO 9 Cb 1.15 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.93 2w9p h PRO 9 CO 0.61 0.00 0.18 0.27 -0.21 0.00 0.00 178.00 178.85 2w9p n ASN 10 N -2.70 5.09 -0.26 -2.05 6.94 -1.26 -4.94 115.26 116.08 2w9p n ASN 10 Ca 0.02 -3.31 0.05 0.00 -0.02 0.00 0.00 54.58 51.32 2w9p n ASN 10 Cb 0.29 -1.07 0.19 0.00 -2.36 0.00 0.00 39.78 36.82 2w9p n ASN 10 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2w9p h PRO 11 N 5.39 0.45 -0.37 -0.53 0.13 -1.90 -0.66 132.00 134.51 2w9p h PRO 11 Ca 0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2w9p h PRO 11 Cb 0.70 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2w9p h PRO 11 CO 1.05 0.30 0.00 -1.71 -0.23 0.00 0.00 178.00 177.41 2w9p n ASN 12 N -4.98 0.86 -4.62 1.44 2.85 -1.26 -4.42 115.26 105.13 2w9p n ASN 12 Ca 0.14 -2.04 -0.37 0.00 -0.11 0.00 0.00 54.58 52.20 2w9p n ASN 12 Cb 0.41 -0.21 0.06 0.00 1.24 0.00 0.00 39.78 41.28 2w9p n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2w9p n ASN 13 N -0.12 0.83 -0.09 1.20 2.85 -0.26 -4.54 115.26 115.12 2w9p n ASN 13 Ca 0.03 0.79 -0.02 0.00 -0.11 0.00 0.00 54.58 55.27 2w9p n ASN 13 Cb 0.17 -1.40 -0.02 0.00 1.24 0.00 0.00 39.78 39.77 2w9p n ASN 13 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2w9p n THR 14 N -1.81 -0.14 -0.20 -0.44 -2.24 -1.26 -0.95 114.28 107.23 2w9p n THR 14 Ca 0.14 0.86 -0.02 0.00 -2.27 0.00 0.00 64.05 62.76 2w9p n THR 14 Cb 0.48 -1.09 0.09 0.00 -2.10 0.00 0.00 70.33 67.70 2w9p n THR 14 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2w9p h LYS 15 N 0.00 0.51 -0.35 -0.78 1.79 -1.96 -0.84 116.57 114.94 2w9p h LYS 15 Ca 0.03 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2w9p h LYS 15 Cb 0.09 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 2w9p h LYS 15 CO -0.20 0.33 -0.16 0.74 -1.08 0.00 0.00 179.45 179.08 2w9p h PHE 16 N 0.52 0.84 -0.21 -1.35 -1.00 -1.32 -0.49 116.94 113.93 2w9p h PHE 16 Ca 0.28 -0.21 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 2w9p h PHE 16 Cb 0.26 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 2w9p h PHE 16 CO -0.12 0.92 -0.09 1.96 -1.61 0.00 0.00 178.31 179.38 2w9p h GLN 17 N 0.51 0.42 0.00 1.51 1.08 -0.71 -0.57 115.11 117.35 2w9p h GLN 17 Ca 0.08 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2w9p h GLN 17 Cb 0.70 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2w9p h GLN 17 CO 0.05 0.70 0.00 1.05 -0.95 0.00 0.00 178.83 179.68 2w9p h GLU 18 N 0.13 0.00 0.55 1.46 -0.00 -0.87 0.20 114.58 116.05 2w9p h GLU 18 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.38 2w9p h GLU 18 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.33 2w9p h GLU 18 CO 0.03 0.00 -0.26 1.25 -0.00 0.00 0.00 179.01 180.02 2w9p h LEU 19 N 0.00 -0.63 -2.10 3.06 5.85 -0.85 -0.78 115.31 119.86 2w9p h LEU 19 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2w9p h LEU 19 Cb 0.28 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2w9p h LEU 19 CO 0.00 -0.30 -0.07 0.00 -0.34 0.00 0.00 178.44 177.73 2w9p h ALA 20 N -1.36 1.51 -0.09 1.25 0.00 -0.13 -0.64 119.26 119.80 2w9p h ALA 20 Ca -0.08 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 2w9p h ALA 20 Cb 0.57 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2w9p h ALA 20 CO 0.12 0.09 -0.87 0.00 0.00 0.00 0.00 179.25 178.60 2w9p h ARG 21 N 0.00 0.69 -0.68 0.00 3.08 -1.00 -0.26 114.38 116.22 2w9p h ARG 21 Ca -0.00 -0.63 -0.02 0.00 0.07 0.00 0.00 59.98 59.40 2w9p h ARG 21 Cb 0.17 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2w9p h ARG 21 CO 0.01 1.23 0.34 0.35 -1.07 0.00 0.00 179.97 180.84 2w9p h PHE 22 N 0.44 0.93 -0.30 3.04 3.57 -0.04 -0.70 116.94 123.88 2w9p h PHE 22 Ca -0.08 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 2w9p h PHE 22 Cb 1.50 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2w9p h PHE 22 CO 0.08 0.67 0.18 0.00 -2.23 0.00 0.00 178.31 177.01 2w9p h ALA 23 N 1.43 0.38 0.80 2.41 0.00 -0.79 -0.76 119.26 122.74 2w9p h ALA 23 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2w9p h ALA 23 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2w9p h ALA 23 CO -0.03 -0.11 -0.44 0.82 0.00 0.00 0.00 179.25 179.49 2w9p h ILE 24 N 0.38 0.11 -1.07 0.00 1.08 -0.84 -0.61 117.51 116.57 2w9p h ILE 24 Ca 0.11 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.90 2w9p h ILE 24 Cb 0.02 0.11 -0.13 0.00 -3.07 0.00 0.00 36.82 33.76 2w9p h ILE 24 CO -0.02 0.00 0.65 1.56 -0.69 0.00 0.00 178.15 179.65 2w9p h GLN 25 N -1.15 0.33 0.14 2.37 4.20 -1.08 0.82 115.11 120.74 2w9p h GLN 25 Ca -0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2w9p h GLN 25 Cb 0.90 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2w9p h GLN 25 CO 0.14 0.22 -0.07 0.22 -0.67 0.00 0.00 178.83 178.67 2w9p h ASP 26 N 0.34 -0.16 0.76 1.46 3.58 -0.50 -0.70 116.42 121.20 2w9p h ASP 26 Ca 0.71 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.81 2w9p h ASP 26 Cb 1.73 0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.83 2w9p h ASP 26 CO -0.48 0.25 -0.37 0.22 -2.88 0.00 0.00 179.24 175.98 2w9p h TYR 27 N -0.59 -0.95 -0.39 0.28 3.20 0.63 -0.64 116.97 118.50 2w9p h TYR 27 Ca -0.02 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.94 2w9p h TYR 27 Cb 0.46 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2w9p h TYR 27 CO 0.05 -0.59 0.30 -0.97 -1.64 0.00 0.00 178.16 175.32 2w9p h ASN 28 N -1.05 0.00 0.03 -2.11 -0.73 -1.10 0.23 115.58 110.85 2w9p h ASN 28 Ca -0.10 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.07 2w9p h ASN 28 Cb 0.79 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.38 2w9p h ASN 28 CO 0.17 0.00 -0.61 0.29 -0.37 0.00 0.00 177.43 176.91 2w9p n LYS 29 N -4.25 0.77 0.00 6.67 4.76 -0.27 -0.98 118.16 124.87 2w9p n LYS 29 Ca 0.06 -0.62 0.14 0.00 -2.87 0.00 0.00 58.31 55.02 2w9p n LYS 29 Cb 0.49 -1.49 0.52 0.00 -1.84 0.00 0.00 35.03 32.71 2w9p n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2w9p n LYS 30 N -0.57 0.79 0.00 1.97 5.02 -0.11 -3.99 118.16 121.27 2w9p n LYS 30 Ca 0.08 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 2w9p n LYS 30 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2w9p n LYS 30 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2w9p n GLN 31 N -0.79 0.33 -3.58 1.97 3.00 -0.18 -5.04 117.38 113.10 2w9p n GLN 31 Ca 0.14 -0.57 -0.24 0.00 -0.01 0.00 0.00 57.00 56.31 2w9p n GLN 31 Cb 0.31 -0.56 -0.06 0.00 0.00 0.00 0.00 30.24 29.93 2w9p n GLN 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2w9p n ASN 32 N -0.06 -0.33 0.27 1.08 3.02 -0.15 -4.91 115.26 114.18 2w9p n ASN 32 Ca 0.00 -0.82 0.18 0.00 -0.03 0.00 0.00 54.58 53.90 2w9p n ASN 32 Cb 0.44 -1.04 0.83 0.00 -0.61 0.00 0.00 39.78 39.40 2w9p n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w9p h ALA 33 N 1.24 1.00 -5.40 5.41 0.00 -1.39 -3.49 119.26 116.63 2w9p h ALA 33 Ca -0.41 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 2w9p h ALA 33 Cb 0.91 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.88 2w9p h ALA 33 CO 0.53 0.00 -0.80 1.58 0.00 0.00 0.00 179.25 180.56 2w9p n HIS 34 N -2.90 -2.29 -3.61 0.00 -0.00 -1.26 -4.43 115.22 100.73 2w9p n HIS 34 Ca -0.01 0.85 -0.19 0.00 0.46 0.00 0.00 57.72 58.84 2w9p n HIS 34 Cb 0.19 -4.35 -0.15 0.00 -0.12 0.00 0.00 29.99 25.57 2w9p n HIS 34 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2w9p s LEU 35 N -5.57 -0.02 0.11 0.27 2.96 -1.26 -2.10 118.68 113.06 2w9p s LEU 35 Ca 0.30 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.36 2w9p s LEU 35 Cb -0.04 0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.83 2w9p s LEU 35 CO 0.71 -0.28 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.61 2w9p s GLU 36 N 2.28 1.62 -0.25 1.98 0.41 -0.24 -4.91 118.70 119.59 2w9p s GLU 36 Ca 0.04 -1.24 -0.39 0.00 -0.41 0.00 0.00 54.97 52.97 2w9p s GLU 36 Cb -0.14 -1.99 -0.15 0.00 -1.78 0.00 0.00 34.13 30.08 2w9p s GLU 36 CO -0.08 0.48 1.81 1.97 -0.49 0.00 0.00 175.26 178.95 2w9p n PHE 37 N 1.08 2.08 -0.01 1.61 -1.74 -1.26 -1.14 117.46 118.08 2w9p n PHE 37 Ca -0.17 0.41 -0.02 0.00 -0.56 0.00 0.00 57.45 57.11 2w9p n PHE 37 Cb 0.53 -2.51 -0.01 0.00 1.52 0.00 0.00 39.48 39.01 2w9p n PHE 37 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2w9p n VAL 38 N 4.91 0.40 -3.62 1.97 0.31 -0.37 -4.87 118.33 117.05 2w9p n VAL 38 Ca 0.27 0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 64.81 2w9p n VAL 38 Cb 0.17 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 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 -1.46 0.70 0.08 5.55 -1.05 -0.16 -5.02 118.70 117.33 2w9p s GLU 39 Ca -0.06 0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 55.19 2w9p s GLU 39 Cb 0.01 0.34 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 2w9p s GLU 39 CO 0.09 -0.10 1.18 -0.80 0.95 0.00 0.00 175.26 176.58 2w9p s ASN 40 N 0.14 7.10 -0.06 0.83 -0.87 -1.26 -0.95 114.94 119.87 2w9p s ASN 40 Ca 0.01 2.02 0.20 0.00 -1.57 0.00 0.00 52.86 53.52 2w9p s ASN 40 Cb -0.04 -2.58 -0.25 0.00 -0.02 0.00 0.00 41.25 38.35 2w9p s ASN 40 CO -0.01 -0.44 0.43 0.18 -2.57 0.00 0.00 177.10 174.69 2w9p n LEU 41 N 3.71 0.21 -3.60 0.60 4.77 -0.14 -4.28 117.00 118.27 2w9p n LEU 41 Ca 0.08 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 2w9p n LEU 41 Cb 0.46 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2w9p n LEU 41 CO 0.55 0.19 0.68 0.21 -1.33 0.00 0.00 177.39 177.69 2w9p s ASN 42 N -5.14 -0.48 -0.08 -1.43 2.47 -0.14 -4.93 114.94 105.22 2w9p s ASN 42 Ca -0.07 0.75 -0.08 0.00 0.42 0.00 0.00 52.86 53.88 2w9p s ASN 42 Cb 0.10 0.70 0.02 0.00 -1.45 0.00 0.00 41.25 40.62 2w9p s ASN 42 CO 0.86 -0.29 0.22 0.68 -3.72 0.00 0.00 177.10 174.84 2w9p s VAL 43 N -0.41 0.01 0.23 -5.21 -7.23 -1.26 -1.05 120.40 105.47 2w9p s VAL 43 Ca -0.01 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2w9p s VAL 43 Cb -0.03 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 2w9p s VAL 43 CO -0.01 -0.03 0.05 -0.54 -0.31 0.00 0.00 175.10 174.27 2w9p s LYS 44 N 0.00 1.32 -0.14 4.82 1.02 -0.17 -1.01 119.74 125.59 2w9p s LYS 44 Ca -0.01 -1.68 -0.12 0.00 0.02 0.00 0.00 55.97 54.17 2w9p s LYS 44 Cb -0.02 -0.35 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 2w9p s LYS 44 CO 0.00 -0.21 0.36 -1.83 -0.92 0.00 0.00 175.35 172.76 2w9p s GLU 45 N -3.96 0.42 -0.04 1.68 -1.05 -0.03 -1.01 118.70 114.71 2w9p s GLU 45 Ca 0.32 0.52 0.03 0.00 -0.15 0.00 0.00 54.97 55.69 2w9p s GLU 45 Cb 0.07 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2w9p s GLU 45 CO 0.10 -0.06 -0.11 -1.14 0.95 0.00 0.00 175.26 175.00 2w9p s GLN 46 N 0.27 1.27 -0.70 -4.83 0.74 -0.23 -0.97 119.66 115.21 2w9p s GLN 46 Ca -0.01 -0.39 -0.25 0.00 0.05 0.00 0.00 55.36 54.76 2w9p s GLN 46 Cb -0.03 -1.14 0.05 0.00 1.10 0.00 0.00 33.01 32.99 2w9p s GLN 46 CO -0.00 0.13 1.15 0.08 -0.55 0.00 0.00 175.29 176.10 2w9p s VAL 47 N 0.23 3.97 0.00 1.34 1.01 -1.26 -0.94 120.40 124.76 2w9p s VAL 47 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2w9p s VAL 47 Cb -0.10 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.46 2w9p s VAL 47 CO 0.01 -1.69 0.00 0.55 0.00 0.00 0.00 175.10 173.98 2w9p n VAL 48 N 6.20 0.00 -2.42 2.92 3.14 -1.26 -4.37 118.33 122.54 2w9p n VAL 48 Ca 0.00 0.03 0.01 0.00 -2.96 0.00 0.00 64.34 61.42 2w9p n VAL 48 Cb 0.48 -0.65 0.01 0.00 -1.06 0.00 0.00 33.84 32.61 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 -1.17 2.73 0.00 1.55 0.00 -1.26 -4.99 120.51 117.37 2w9p n ALA 49 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.49 2w9p n ALA 49 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.21 -0.53 3.04 0.00 0.00 -1.26 -4.97 105.19 101.68 2w9p n GLY 50 Ca -0.03 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.37 -0.08 -0.61 1.09 -0.23 -4.50 121.20 117.24 2w9p s ILE 51 Ca 0.00 -1.12 0.02 0.00 -1.10 0.00 0.00 60.65 58.45 2w9p s ILE 51 Cb 0.00 -0.61 0.01 0.00 -1.06 0.00 0.00 42.46 40.80 2w9p s ILE 51 CO 0.00 -0.50 -0.15 -0.04 -0.10 0.00 0.00 174.94 174.15 2w9p s MET 52 N -1.84 2.03 -0.18 2.79 -1.94 -0.11 -0.94 119.30 119.11 2w9p s MET 52 Ca -0.10 -0.52 -0.05 0.00 -1.71 0.00 0.00 55.69 53.32 2w9p s MET 52 Cb -0.08 -1.67 -0.03 0.00 2.01 0.00 0.00 34.83 35.07 2w9p s MET 52 CO -0.01 0.02 0.00 0.71 -0.01 0.00 0.00 175.02 175.73 2w9p s TYR 53 N 0.73 3.07 -0.52 -0.03 2.02 -0.12 -1.07 117.35 121.44 2w9p s TYR 53 Ca -0.13 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.14 2w9p s TYR 53 Cb -0.16 -2.05 0.13 0.00 -0.40 0.00 0.00 41.96 39.48 2w9p s TYR 53 CO 0.03 -0.10 0.45 0.71 -1.57 0.00 0.00 175.55 175.06 2w9p s TYR 54 N 0.70 3.33 -0.24 2.71 2.02 -0.18 -1.04 117.35 124.65 2w9p s TYR 54 Ca 0.00 -1.55 -0.01 0.00 -0.37 0.00 0.00 57.07 55.14 2w9p s TYR 54 Cb -0.14 -3.68 0.03 0.00 -0.40 0.00 0.00 41.96 37.77 2w9p s TYR 54 CO 0.02 -1.01 -0.08 0.42 -1.57 0.00 0.00 175.55 173.33 2w9p s ILE 55 N 1.46 2.73 -0.32 2.71 1.01 -0.29 -1.00 121.20 127.50 2w9p s ILE 55 Ca 0.05 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 2w9p s ILE 55 Cb -0.28 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 2w9p s ILE 55 CO 0.01 0.24 0.18 -0.89 0.00 0.00 0.00 174.94 174.49 2w9p s THR 56 N 1.31 4.83 0.24 2.92 2.01 -0.22 -0.92 115.64 125.81 2w9p s THR 56 Ca 0.00 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.73 2w9p s THR 56 Cb -0.16 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2w9p s THR 56 CO -0.06 0.04 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.32 2w9p s LEU 57 N 1.65 2.53 -0.08 4.42 -0.00 0.00 -0.96 118.68 126.24 2w9p s LEU 57 Ca 0.05 -1.09 0.03 0.00 -0.00 0.00 0.00 54.13 53.13 2w9p s LEU 57 Cb -0.17 -0.71 -0.01 0.00 -0.00 0.00 0.00 46.19 45.30 2w9p s LEU 57 CO 0.08 -0.21 -0.19 0.00 -0.00 0.00 0.00 176.35 176.02 2w9p s ALA 58 N -2.94 2.39 -0.21 1.48 0.00 -0.12 -1.04 121.76 121.33 2w9p s ALA 58 Ca 0.26 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 2w9p s ALA 58 Cb 0.01 -0.91 0.07 0.00 0.00 0.00 0.00 23.12 22.28 2w9p s ALA 58 CO 0.10 0.37 0.67 0.00 0.00 0.00 0.00 175.76 176.90 2w9p s ALA 59 N -0.04 -1.66 -0.08 0.00 0.00 -0.23 -0.99 121.76 118.75 2w9p s ALA 59 Ca -0.05 1.75 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 2w9p s ALA 59 Cb -0.14 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2w9p s ALA 59 CO 0.05 -0.33 0.43 -0.08 0.00 0.00 0.00 175.76 175.83 2w9p s THR 60 N 0.01 5.14 0.08 0.00 -1.32 -0.29 -1.07 115.64 118.18 2w9p s THR 60 Ca -0.03 0.87 0.01 0.00 -1.21 0.00 0.00 61.69 61.34 2w9p s THR 60 Cb -0.04 -3.76 -0.04 0.00 -1.51 0.00 0.00 72.50 67.16 2w9p s THR 60 CO 0.03 0.43 0.18 -0.62 -2.21 0.00 0.00 174.62 172.43 2w9p s ASP 61 N -0.03 6.08 -0.87 8.08 2.15 -0.15 -1.08 116.67 130.85 2w9p s ASP 61 Ca 0.24 0.16 -0.24 0.00 0.43 0.00 0.00 52.55 53.14 2w9p s ASP 61 Cb -0.15 -1.79 -0.21 0.00 -0.30 0.00 0.00 42.92 40.46 2w9p s ASP 61 CO 0.11 0.15 2.46 -0.67 -0.17 0.00 0.00 175.17 177.05 2w9p n ASP 62 N 0.18 0.44 0.00 -0.34 2.03 -0.89 -0.46 116.55 117.50 2w9p n ASP 62 Ca -0.06 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.87 2w9p n ASP 62 Cb 0.52 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 2w9p n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2w9p n ALA 63 N 11.41 0.00 -1.16 -1.67 0.00 -1.26 -4.84 120.51 122.99 2w9p n ALA 63 Ca 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 2w9p n ALA 63 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 0.74 3.51 0.00 0.00 0.39 -4.98 105.19 104.84 2w9p n GLY 64 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2w9p n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w9p s LYS 65 N -1.97 3.78 -0.92 1.61 -0.14 -0.30 -4.88 119.74 116.92 2w9p s LYS 65 Ca 0.00 -0.41 -0.24 0.00 -1.36 0.00 0.00 55.97 53.95 2w9p s LYS 65 Cb 0.00 -3.43 -0.06 0.00 -1.68 0.00 0.00 37.83 32.66 2w9p s LYS 65 CO 0.00 -0.15 1.97 0.15 -0.76 0.00 0.00 175.35 176.56 2w9p s LYS 66 N 1.57 2.49 0.34 1.68 3.01 -1.26 -0.98 119.74 126.59 2w9p s LYS 66 Ca 0.06 -0.32 -0.16 0.00 -1.01 0.00 0.00 55.97 54.55 2w9p s LYS 66 Cb -0.15 -5.06 -0.09 0.00 -1.01 0.00 0.00 37.83 31.51 2w9p s LYS 66 CO 0.06 -3.49 0.77 0.15 0.51 0.00 0.00 175.35 173.35 2w9p s LYS 67 N 7.07 4.03 -0.13 1.68 1.02 -0.24 -4.82 119.74 128.35 2w9p s LYS 67 Ca 0.71 0.73 -0.03 0.00 0.02 0.00 0.00 55.97 57.40 2w9p s LYS 67 Cb -0.07 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2w9p s LYS 67 CO 0.01 0.12 -0.04 0.42 -0.92 0.00 0.00 175.35 174.94 2w9p s ILE 68 N -2.02 3.91 0.17 2.17 1.09 -1.26 -1.07 121.20 124.19 2w9p s ILE 68 Ca 0.55 -0.36 0.07 0.00 -1.10 0.00 0.00 60.65 59.81 2w9p s ILE 68 Cb -0.10 -2.69 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 2w9p s ILE 68 CO 0.17 0.52 -0.15 -0.31 -0.10 0.00 0.00 174.94 175.07 2w9p s TYR 69 N 0.06 1.66 -0.18 3.97 2.02 -0.20 -1.08 117.35 123.59 2w9p s TYR 69 Ca -0.00 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 2w9p s TYR 69 Cb -0.13 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.65 2w9p s TYR 69 CO 0.03 0.30 -0.15 0.21 -1.57 0.00 0.00 175.55 174.36 2w9p s LYS 70 N -3.22 2.52 0.21 -0.62 2.47 -0.16 -0.82 119.74 120.13 2w9p s LYS 70 Ca 0.18 -0.79 0.10 0.00 -1.56 0.00 0.00 55.97 53.89 2w9p s LYS 70 Cb -0.03 -2.42 -0.04 0.00 -1.46 0.00 0.00 37.83 33.87 2w9p s LYS 70 CO 0.06 -0.29 -0.10 0.00 0.16 0.00 0.00 175.35 175.18 2w9p s ALA 71 N 1.35 2.94 -0.17 3.13 0.00 -0.10 -0.90 121.76 128.02 2w9p s ALA 71 Ca 0.03 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.40 2w9p s ALA 71 Cb -0.14 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.36 2w9p s ALA 71 CO -0.11 0.40 0.00 0.15 0.00 0.00 0.00 175.76 176.20 2w9p s LYS 72 N -3.08 0.92 -0.21 0.00 1.02 -0.13 -1.14 119.74 117.11 2w9p s LYS 72 Ca 0.27 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2w9p s LYS 72 Cb -0.08 -1.92 0.04 0.00 -0.52 0.00 0.00 37.83 35.35 2w9p s LYS 72 CO 0.16 -0.53 -0.16 0.42 -0.92 0.00 0.00 175.35 174.32 2w9p s ILE 73 N 1.79 2.08 -0.08 2.17 1.01 -0.21 -1.04 121.20 126.92 2w9p s ILE 73 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.15 2w9p s ILE 73 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2w9p s ILE 73 CO -0.07 0.31 1.04 0.86 0.00 0.00 0.00 174.94 177.07 2w9p s TRP 74 N 1.22 3.49 -0.03 3.97 -0.00 -0.15 -0.94 118.94 126.50 2w9p s TRP 74 Ca -0.01 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 2w9p s TRP 74 Cb -0.16 -3.22 0.02 0.00 -0.00 0.00 0.00 33.47 30.12 2w9p s TRP 74 CO -0.10 -0.37 -0.00 0.08 -0.00 0.00 0.00 176.95 176.56 2w9p s VAL 75 N 1.87 0.17 -0.55 5.86 1.01 -0.11 -0.98 120.40 127.66 2w9p s VAL 75 Ca 0.50 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2w9p s VAL 75 Cb -0.20 -0.25 0.14 0.00 0.00 0.00 0.00 36.38 36.07 2w9p s VAL 75 CO 0.20 0.13 0.31 -0.54 0.00 0.00 0.00 175.10 175.20 2w9p s LYS 76 N 0.90 2.10 0.49 2.72 1.02 -0.15 -1.07 119.74 125.75 2w9p s LYS 76 Ca -0.09 -2.71 0.19 0.00 0.02 0.00 0.00 55.97 53.38 2w9p s LYS 76 Cb -0.12 -3.38 1.22 0.00 -0.52 0.00 0.00 37.83 35.03 2w9p s LYS 76 CO -0.02 -1.14 2.01 0.93 -0.92 0.00 0.00 175.35 176.22 2w9p h GLU 77 N 6.41 0.17 0.00 1.68 4.39 -1.94 -0.09 114.58 125.21 2w9p h GLU 77 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2w9p h GLU 77 Cb 0.88 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2w9p h GLU 77 CO 0.70 0.11 0.00 -2.67 -1.16 0.00 0.00 179.01 175.99 2w9p n TRP 78 N -4.45 0.00 -0.72 4.33 4.27 -1.26 -2.89 117.44 116.72 2w9p n TRP 78 Ca 0.08 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.73 2w9p n TRP 78 Cb 0.42 -0.46 0.06 0.00 -1.36 0.00 0.00 31.31 29.98 2w9p n TRP 78 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 2w9p n GLU 79 N -1.46 1.77 -1.51 -2.67 1.02 -0.22 -4.96 120.64 112.62 2w9p n GLU 79 Ca 0.05 -1.90 -0.18 0.00 -0.02 0.00 0.00 57.16 55.12 2w9p n GLU 79 Cb 0.19 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 2w9p n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2w9p n ASP 80 N -0.86 -5.52 -4.66 1.62 9.92 -1.14 -4.90 116.55 111.01 2w9p n ASP 80 Ca 0.07 0.44 -0.43 0.00 -0.53 0.00 0.00 54.79 54.34 2w9p n ASP 80 Cb 0.48 -4.63 -0.02 0.00 -0.64 0.00 0.00 41.12 36.31 2w9p n ASP 80 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2w9p s PHE 81 N -2.51 3.24 -0.30 1.24 2.19 -0.23 -4.93 117.98 116.69 2w9p s PHE 81 Ca 0.00 1.36 0.02 0.00 0.33 0.00 0.00 56.93 58.64 2w9p s PHE 81 Cb 0.00 -3.37 0.09 0.00 -1.31 0.00 0.00 43.02 38.42 2w9p s PHE 81 CO 0.00 -0.69 0.02 -1.59 1.83 0.00 0.00 175.22 174.79 2w9p s LYS 82 N 3.32 1.36 -0.07 10.12 -2.85 -1.26 -0.98 119.74 129.37 2w9p s LYS 82 Ca 0.46 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.05 2w9p s LYS 82 Cb -0.15 -2.69 0.02 0.00 -2.06 0.00 0.00 37.83 32.95 2w9p s LYS 82 CO 0.09 -0.83 -0.05 0.21 0.10 0.00 0.00 175.35 174.87 2w9p s LYS 83 N 1.25 1.05 -0.51 1.78 2.20 -0.15 -5.04 119.74 120.32 2w9p s LYS 83 Ca 0.05 -0.11 -0.21 0.00 -0.36 0.00 0.00 55.97 55.33 2w9p s LYS 83 Cb -0.19 -1.15 0.05 0.00 -1.51 0.00 0.00 37.83 35.03 2w9p s LYS 83 CO -0.12 -0.19 0.72 0.08 -0.36 0.00 0.00 175.35 175.48 2w9p s VAL 84 N 1.44 4.72 -0.61 4.02 1.01 -1.26 -0.98 120.40 128.74 2w9p s VAL 84 Ca -0.02 -0.15 0.25 0.00 0.00 0.00 0.00 61.98 62.06 2w9p s VAL 84 Cb -0.13 -4.35 0.24 0.00 0.00 0.00 0.00 36.38 32.13 2w9p s VAL 84 CO -0.03 -0.86 1.60 -0.37 0.00 0.00 0.00 175.10 175.44 2w9p h VAL 85 N 5.91 0.00 -2.15 2.92 -1.51 -1.46 -3.46 116.25 116.51 2w9p h VAL 85 Ca -0.27 -0.64 -0.06 0.00 -1.23 0.00 0.00 66.70 64.49 2w9p h VAL 85 Cb 1.09 1.54 -0.20 0.00 -2.13 0.00 0.00 31.29 31.59 2w9p h VAL 85 CO 0.99 0.00 0.11 -0.70 -1.23 0.00 0.00 177.57 176.73 2w9p s GLU 86 N -3.16 0.94 -0.26 5.19 2.12 -0.98 -4.97 118.70 117.58 2w9p s GLU 86 Ca 0.08 0.39 -0.02 0.00 0.36 0.00 0.00 54.97 55.79 2w9p s GLU 86 Cb 0.10 0.44 0.15 0.00 0.26 0.00 0.00 34.13 35.09 2w9p s GLU 86 CO 0.65 -0.25 0.45 0.12 -0.54 0.00 0.00 175.26 175.69 2w9p s PHE 87 N -0.78 -1.09 -0.08 5.30 5.36 -1.26 -0.95 117.98 124.47 2w9p s PHE 87 Ca -0.08 1.07 -0.03 0.00 -0.96 0.00 0.00 56.93 56.92 2w9p s PHE 87 Cb -0.02 0.18 0.04 0.00 -0.34 0.00 0.00 43.02 42.88 2w9p s PHE 87 CO 0.07 -0.79 0.17 0.21 -1.46 0.00 0.00 175.22 173.42 2w9p s LYS 88 N 2.64 0.10 0.34 10.12 2.47 -0.08 -4.97 119.74 130.36 2w9p s LYS 88 Ca 0.15 0.47 -0.29 0.00 -1.56 0.00 0.00 55.97 54.75 2w9p s LYS 88 Cb -0.15 -0.19 -0.12 0.00 -1.46 0.00 0.00 37.83 35.92 2w9p s LYS 88 CO -0.18 -0.21 1.42 -0.11 0.16 0.00 0.00 175.35 176.43 2w9p n LEU 89 N 4.59 4.11 -0.23 5.43 7.94 -1.26 -0.99 117.00 136.59 2w9p n LEU 89 Ca -0.19 1.20 0.03 0.00 -1.11 0.00 0.00 56.01 55.94 2w9p n LEU 89 Cb 0.51 -1.55 0.02 0.00 0.53 0.00 0.00 43.42 42.94 2w9p n LEU 89 CO 0.13 -0.14 0.34 0.52 -1.11 0.00 0.00 177.39 177.13