#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 2.70 -0.01 -0.61 1.09 -1.26 -4.19 121.20 118.92 2w9p s ILE 5 Ca 0.00 0.60 -0.02 0.00 -1.10 0.00 0.00 60.65 60.14 2w9p s ILE 5 Cb 0.00 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 38.02 2w9p s ILE 5 CO 0.00 0.10 0.04 0.68 -0.10 0.00 0.00 174.94 175.67 2w9p s VAL 6 N -0.18 0.01 0.27 2.92 -7.23 -0.14 -4.99 120.40 111.06 2w9p s VAL 6 Ca 0.57 -0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.49 2w9p s VAL 6 Cb -0.41 -0.11 -0.08 0.00 0.56 0.00 0.00 36.38 36.34 2w9p s VAL 6 CO 0.45 -0.06 0.66 0.21 -0.31 0.00 0.00 175.10 176.05 2w9p s ASN 7 N -0.17 6.76 -0.14 4.85 3.84 -1.26 -0.89 114.94 127.94 2w9p s ASN 7 Ca -0.02 1.17 -0.24 0.00 0.21 0.00 0.00 52.86 53.98 2w9p s ASN 7 Cb -0.02 -2.33 -0.02 0.00 -0.55 0.00 0.00 41.25 38.33 2w9p s ASN 7 CO 0.00 -0.11 0.74 -0.69 -2.79 0.00 0.00 177.10 174.25 2w9p s VAL 8 N -1.84 4.97 0.48 -5.21 1.01 -0.25 -4.87 120.40 114.69 2w9p s VAL 8 Ca 0.50 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 2w9p s VAL 8 Cb -0.12 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 2w9p s VAL 8 CO 0.19 0.13 1.08 -2.16 0.00 0.00 0.00 175.10 174.34 2w9p s PRO 9 N 1.60 3.73 -1.08 2.72 0.04 -1.26 -4.34 135.00 136.41 2w9p s PRO 9 Ca 0.36 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2w9p s PRO 9 Cb -0.17 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2w9p s PRO 9 CO 0.14 -0.52 0.91 -1.71 0.04 0.00 0.00 177.00 175.86 2w9p n ASN 10 N -0.86 -2.77 0.29 6.66 4.05 -1.26 -4.89 115.26 116.48 2w9p n ASN 10 Ca 0.09 -0.59 0.15 0.00 0.45 0.00 0.00 54.58 54.68 2w9p n ASN 10 Cb 0.51 -4.78 0.79 0.00 1.23 0.00 0.00 39.78 37.53 2w9p n ASN 10 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2w9p h PRO 11 N -1.62 0.00 -0.01 1.20 0.11 -1.92 -0.90 132.00 128.86 2w9p h PRO 11 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2w9p h PRO 11 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2w9p h PRO 11 CO 0.45 0.00 -0.36 -1.71 -0.21 0.00 0.00 178.00 176.17 2w9p n ASN 12 N -2.70 1.61 -4.62 -2.05 2.85 -1.26 -4.73 115.26 104.35 2w9p n ASN 12 Ca -0.02 -1.26 -0.40 0.00 -0.11 0.00 0.00 54.58 52.79 2w9p n ASN 12 Cb 0.27 0.31 0.03 0.00 1.24 0.00 0.00 39.78 41.63 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 -0.25 1.23 -0.48 1.20 2.85 -0.35 -4.20 115.26 115.25 2w9p n ASN 13 Ca 0.11 0.96 0.40 0.00 -0.11 0.00 0.00 54.58 55.94 2w9p n ASN 13 Cb 0.42 -1.38 0.71 0.00 1.24 0.00 0.00 39.78 40.76 2w9p n ASN 13 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2w9p h THR 14 N 1.23 0.19 -0.76 -0.44 1.35 -1.94 0.07 112.91 112.61 2w9p h THR 14 Ca -0.46 -0.02 0.02 0.00 -0.55 0.00 0.00 66.41 65.39 2w9p h THR 14 Cb 1.34 0.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 2w9p h THR 14 CO 0.55 0.01 0.49 0.07 -0.25 0.00 0.00 175.52 176.39 2w9p h LYS 15 N 0.07 0.95 0.04 4.72 2.10 -1.98 -0.21 116.57 122.27 2w9p h LYS 15 Ca 0.78 -0.06 -0.24 0.00 -2.00 0.00 0.00 60.65 59.13 2w9p h LYS 15 Cb 2.75 -0.21 0.02 0.00 -0.90 0.00 0.00 32.23 33.89 2w9p h LYS 15 CO -0.20 0.63 -0.97 0.74 -2.00 0.00 0.00 179.45 177.64 2w9p h PHE 16 N 0.98 0.89 -0.43 0.07 -1.00 -1.38 -0.79 116.94 115.29 2w9p h PHE 16 Ca 0.29 -0.52 0.05 0.00 2.81 0.00 0.00 57.97 60.60 2w9p h PHE 16 Cb -0.04 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 2w9p h PHE 16 CO -0.03 1.36 0.29 0.37 -1.61 0.00 0.00 178.31 178.69 2w9p h GLN 17 N 0.18 0.39 0.00 1.51 -0.00 -0.86 0.29 115.11 116.62 2w9p h GLN 17 Ca -0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 2w9p h GLN 17 Cb 1.66 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 29.05 2w9p h GLN 17 CO 0.19 0.26 -1.31 0.39 0.00 0.00 0.00 178.83 178.36 2w9p n GLU 18 N -4.48 0.55 -0.00 1.69 4.71 -0.11 -1.01 120.64 121.99 2w9p n GLU 18 Ca 0.05 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.08 2w9p n GLU 18 Cb 0.20 -1.68 -0.07 0.00 -1.01 0.00 0.00 31.44 28.89 2w9p n GLU 18 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2w9p h LEU 19 N 0.00 0.08 -0.01 -4.62 5.85 -0.37 -0.51 115.31 115.73 2w9p h LEU 19 Ca 0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2w9p h LEU 19 Cb 0.94 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2w9p h LEU 19 CO 0.00 0.21 -0.02 0.00 -0.34 0.00 0.00 178.44 178.29 2w9p h ALA 20 N 0.88 -0.00 -0.90 1.25 0.00 -1.04 -0.42 119.26 119.02 2w9p h ALA 20 Ca 0.02 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2w9p h ALA 20 Cb 0.15 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 2w9p h ALA 20 CO -0.00 -0.51 0.48 0.00 0.00 0.00 0.00 179.25 179.22 2w9p h ARG 21 N -0.02 0.64 0.07 0.00 -0.00 -0.89 -0.23 114.38 113.94 2w9p h ARG 21 Ca 0.01 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2w9p h ARG 21 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 29.87 2w9p h ARG 21 CO -0.03 0.42 -0.03 0.35 0.00 0.00 0.00 179.97 180.68 2w9p h PHE 22 N 0.66 -0.08 -0.74 3.04 3.57 -0.08 -0.60 116.94 122.71 2w9p h PHE 22 Ca 0.50 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.06 2w9p h PHE 22 Cb 0.73 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2w9p h PHE 22 CO -0.07 0.13 0.42 0.00 -2.23 0.00 0.00 178.31 176.56 2w9p h ALA 23 N 0.63 1.01 0.29 2.41 0.00 0.33 -0.51 119.26 123.42 2w9p h ALA 23 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2w9p h ALA 23 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2w9p h ALA 23 CO 0.01 0.09 -0.23 0.82 0.00 0.00 0.00 179.25 179.95 2w9p h ILE 24 N 0.75 0.51 0.00 0.00 1.08 -0.97 -0.85 117.51 118.03 2w9p h ILE 24 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.81 2w9p h ILE 24 Cb 0.23 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2w9p h ILE 24 CO -0.20 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.26 2w9p n GLN 25 N -5.36 0.15 0.00 2.37 10.64 -0.24 -1.02 117.38 123.92 2w9p n GLN 25 Ca -0.09 0.28 -0.13 0.00 -1.83 0.00 0.00 57.00 55.23 2w9p n GLN 25 Cb 0.26 -1.74 -0.10 0.00 -0.86 0.00 0.00 30.24 27.81 2w9p n GLN 25 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2w9p h ASP 26 N 0.00 -0.04 -0.46 2.61 3.58 -0.36 -0.61 116.42 121.15 2w9p h ASP 26 Ca 0.00 -0.47 -0.10 0.00 0.42 0.00 0.00 57.03 56.88 2w9p h ASP 26 Cb 0.46 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2w9p h ASP 26 CO 0.00 0.46 -0.11 0.22 -2.88 0.00 0.00 179.24 176.93 2w9p h TYR 27 N -0.54 1.01 -0.07 0.28 3.20 -0.94 -0.56 116.97 119.33 2w9p h TYR 27 Ca -0.00 -0.22 0.04 0.00 3.14 0.00 0.00 58.73 61.69 2w9p h TYR 27 Cb 0.50 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2w9p h TYR 27 CO 0.09 0.98 -0.22 -0.91 -1.64 0.00 0.00 178.16 176.47 2w9p h ASN 28 N 0.74 -0.67 -0.56 -2.11 2.35 -1.13 -0.48 115.58 113.71 2w9p h ASN 28 Ca 0.12 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2w9p h ASN 28 Cb 0.66 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 2w9p h ASN 28 CO 0.05 -0.28 0.37 0.11 -1.65 0.00 0.00 177.43 176.03 2w9p h LYS 29 N -0.31 0.73 -0.30 0.81 1.57 -1.03 0.29 116.57 118.33 2w9p h LYS 29 Ca 0.08 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2w9p h LYS 29 Cb 0.43 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 2w9p h LYS 29 CO -0.25 0.49 -0.53 0.87 -0.57 0.00 0.00 179.45 179.45 2w9p h LYS 30 N 0.76 -0.43 -1.93 3.15 1.57 -0.27 -3.07 116.57 116.34 2w9p h LYS 30 Ca 0.21 0.03 -0.56 0.00 -1.87 0.00 0.00 60.65 58.46 2w9p h LYS 30 Cb -0.08 0.10 -0.42 0.00 0.08 0.00 0.00 32.23 31.91 2w9p h LYS 30 CO -0.05 -0.29 -0.77 1.04 -0.57 0.00 0.00 179.45 178.81 2w9p n GLN 31 N -5.29 2.90 -0.87 3.15 3.00 -0.27 -5.01 117.38 115.00 2w9p n GLN 31 Ca -0.04 -4.48 0.00 0.00 -0.01 0.00 0.00 57.00 52.47 2w9p n GLN 31 Cb 0.34 -2.11 0.00 0.00 0.00 0.00 0.00 30.24 28.47 2w9p n GLN 31 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2w9p n ASN 32 N -0.25 0.00 -2.19 1.08 6.94 -0.12 -4.89 115.26 115.84 2w9p n ASN 32 Ca 0.31 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.85 2w9p n ASN 32 Cb 0.53 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.96 2w9p n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2w9p n ALA 33 N -0.20 0.00 -2.62 -2.53 0.00 -0.10 -5.00 120.51 110.06 2w9p n ALA 33 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 2w9p n ALA 33 Cb 0.00 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.50 2w9p n ALA 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2w9p n HIS 34 N -1.56 1.69 -2.88 0.00 -0.00 -1.26 -4.89 115.22 106.33 2w9p n HIS 34 Ca 0.01 -2.54 -0.40 0.00 0.46 0.00 0.00 57.72 55.25 2w9p n HIS 34 Cb 0.05 -0.28 -0.05 0.00 -0.12 0.00 0.00 29.99 29.59 2w9p n HIS 34 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2w9p s LEU 35 N -3.48 4.46 -0.15 0.27 1.43 -1.25 -1.92 118.68 118.04 2w9p s LEU 35 Ca 0.33 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 2w9p s LEU 35 Cb 0.40 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 43.30 2w9p s LEU 35 CO -0.02 -0.03 0.03 -1.61 0.23 0.00 0.00 176.35 174.95 2w9p s GLU 36 N 0.04 0.53 0.22 1.70 0.41 -0.16 -4.88 118.70 116.55 2w9p s GLU 36 Ca 0.42 -0.17 -0.28 0.00 -0.41 0.00 0.00 54.97 54.53 2w9p s GLU 36 Cb -0.21 -1.65 -0.16 0.00 -1.78 0.00 0.00 34.13 30.32 2w9p s GLU 36 CO 0.25 -0.53 0.64 0.34 -0.49 0.00 0.00 175.26 175.48 2w9p n PHE 37 N 5.12 -0.06 -0.00 1.61 -0.00 -1.26 -0.88 117.46 121.99 2w9p n PHE 37 Ca -0.08 0.91 -0.04 0.00 -0.00 0.00 0.00 57.45 58.24 2w9p n PHE 37 Cb 0.48 -2.03 -0.01 0.00 -0.00 0.00 0.00 39.48 37.92 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 0.08 1.13 -3.90 -2.13 0.31 -0.17 -4.76 118.33 108.90 2w9p n VAL 38 Ca 0.16 0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.63 2w9p n VAL 38 Cb 0.26 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 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 -2.25 1.89 -0.10 5.55 -1.05 -0.29 -5.03 118.70 117.41 2w9p s GLU 39 Ca -0.10 -1.28 -0.02 0.00 -0.15 0.00 0.00 54.97 53.43 2w9p s GLU 39 Cb 0.02 0.57 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2w9p s GLU 39 CO 0.14 -0.85 -0.02 -0.80 0.95 0.00 0.00 175.26 174.68 2w9p s ASN 40 N -3.03 5.05 0.00 0.83 0.02 -1.26 -0.91 114.94 115.64 2w9p s ASN 40 Ca 0.17 0.05 0.02 0.00 -1.02 0.00 0.00 52.86 52.08 2w9p s ASN 40 Cb -0.04 -1.50 -0.01 0.00 0.02 0.00 0.00 41.25 39.71 2w9p s ASN 40 CO 0.10 0.32 0.15 -0.11 0.02 0.00 0.00 177.10 177.59 2w9p n LEU 41 N 2.52 0.27 -3.84 0.60 7.94 -0.19 -4.52 117.00 119.77 2w9p n LEU 41 Ca -0.18 -0.59 -0.12 0.00 -1.11 0.00 0.00 56.01 54.01 2w9p n LEU 41 Cb 0.53 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.38 2w9p n LEU 41 CO 0.29 0.06 -0.12 0.21 -1.11 0.00 0.00 177.39 176.72 2w9p s ASN 42 N -0.98 -0.05 -0.30 1.96 3.84 -0.48 -4.95 114.94 113.98 2w9p s ASN 42 Ca 0.01 -0.08 -0.08 0.00 0.21 0.00 0.00 52.86 52.92 2w9p s ASN 42 Cb 0.01 0.25 0.14 0.00 -0.55 0.00 0.00 41.25 41.11 2w9p s ASN 42 CO 0.06 -0.36 0.65 0.54 -2.79 0.00 0.00 177.10 175.20 2w9p s VAL 43 N -1.22 -0.98 -0.02 -5.21 0.11 -1.25 -0.85 120.40 110.98 2w9p s VAL 43 Ca -0.13 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2w9p s VAL 43 Cb -0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2w9p s VAL 43 CO 0.02 0.00 0.17 -0.54 -3.33 0.00 0.00 175.10 171.42 2w9p s LYS 44 N 2.88 3.42 -0.12 1.54 -0.14 -0.16 -1.09 119.74 126.07 2w9p s LYS 44 Ca -0.00 -0.30 0.01 0.00 -1.36 0.00 0.00 55.97 54.31 2w9p s LYS 44 Cb -0.12 -3.10 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 2w9p s LYS 44 CO -0.19 0.69 -0.16 -2.00 -0.76 0.00 0.00 175.35 172.93 2w9p s GLU 45 N -1.82 3.30 -0.01 1.68 2.12 -0.07 -0.98 118.70 122.93 2w9p s GLU 45 Ca 0.26 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2w9p s GLU 45 Cb -0.13 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 2w9p s GLU 45 CO 0.17 0.21 -0.10 -1.14 -0.54 0.00 0.00 175.26 173.85 2w9p s GLN 46 N 0.34 0.89 -0.49 4.30 0.74 -0.16 -0.97 119.66 124.30 2w9p s GLN 46 Ca -0.13 -0.37 -0.24 0.00 0.05 0.00 0.00 55.36 54.67 2w9p s GLN 46 Cb -0.16 -0.85 0.03 0.00 1.10 0.00 0.00 33.01 33.13 2w9p s GLN 46 CO 0.06 0.21 0.89 0.54 -0.55 0.00 0.00 175.29 176.44 2w9p s VAL 47 N -0.17 4.49 0.00 1.34 0.11 -1.26 -0.91 120.40 124.01 2w9p s VAL 47 Ca 0.03 0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 2w9p s VAL 47 Cb -0.05 -4.44 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 2w9p s VAL 47 CO -0.00 -0.91 0.00 0.52 -3.33 0.00 0.00 175.10 171.38 2w9p n VAL 48 N 6.26 0.00 -1.47 2.04 0.31 -1.26 -4.88 118.33 119.33 2w9p n VAL 48 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.43 2w9p n VAL 48 Cb 0.48 -0.16 0.15 0.00 -0.91 0.00 0.00 33.84 33.40 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 2.88 -2.00 3.52 0.00 -1.26 -4.93 120.51 115.71 2w9p n ALA 49 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2w9p n ALA 49 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.07 -0.61 2.74 0.00 0.00 -1.26 -4.99 105.19 100.01 2w9p n GLY 50 Ca 0.16 0.63 -0.21 0.00 0.00 0.00 0.00 46.02 46.60 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 2.44 0.19 -0.16 -0.61 -1.09 -0.24 -4.56 121.20 117.16 2w9p s ILE 51 Ca 0.00 0.22 -0.23 0.00 -2.23 0.00 0.00 60.65 58.41 2w9p s ILE 51 Cb 0.00 -0.37 -0.02 0.00 -1.58 0.00 0.00 42.46 40.49 2w9p s ILE 51 CO 0.00 0.22 0.72 -0.32 -1.23 0.00 0.00 174.94 174.33 2w9p s MET 52 N 1.93 4.29 -0.24 2.79 -2.45 -0.09 -0.88 119.30 124.64 2w9p s MET 52 Ca 0.03 0.82 -0.10 0.00 -1.25 0.00 0.00 55.69 55.20 2w9p s MET 52 Cb -0.12 -3.55 -0.05 0.00 1.25 0.00 0.00 34.83 32.36 2w9p s MET 52 CO -0.04 -0.22 0.14 0.71 1.05 0.00 0.00 175.02 176.66 2w9p s TYR 53 N 1.81 3.25 -0.74 4.11 2.02 -0.26 -0.99 117.35 126.55 2w9p s TYR 53 Ca 0.34 0.08 -0.10 0.00 -0.37 0.00 0.00 57.07 57.02 2w9p s TYR 53 Cb -0.16 -2.26 0.19 0.00 -0.40 0.00 0.00 41.96 39.33 2w9p s TYR 53 CO 0.12 -0.04 0.64 0.71 -1.57 0.00 0.00 175.55 175.41 2w9p s TYR 54 N 1.21 3.62 -0.12 2.71 4.12 -0.15 -1.08 117.35 127.65 2w9p s TYR 54 Ca 0.07 -2.18 -0.04 0.00 0.02 0.00 0.00 57.07 54.94 2w9p s TYR 54 Cb -0.14 -3.61 -0.03 0.00 -1.52 0.00 0.00 41.96 36.65 2w9p s TYR 54 CO 0.05 -0.95 0.02 0.42 0.02 0.00 0.00 175.55 175.12 2w9p s ILE 55 N 0.21 4.48 -0.26 2.71 1.01 -0.28 -0.98 121.20 128.09 2w9p s ILE 55 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 2w9p s ILE 55 Cb -0.15 -2.93 0.04 0.00 0.01 0.00 0.00 42.46 39.43 2w9p s ILE 55 CO -0.06 0.56 -0.07 -0.89 0.00 0.00 0.00 174.94 174.48 2w9p s THR 56 N -0.44 2.68 0.13 2.92 2.01 -0.03 -0.92 115.64 122.00 2w9p s THR 56 Ca 0.09 -1.22 0.10 0.00 0.31 0.00 0.00 61.69 60.96 2w9p s THR 56 Cb -0.12 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2w9p s THR 56 CO 0.02 0.11 -0.20 -1.48 -0.69 0.00 0.00 174.62 172.38 2w9p s LEU 57 N 1.26 2.59 -0.36 4.42 0.05 -0.19 -1.03 118.68 125.42 2w9p s LEU 57 Ca -0.02 -0.63 0.03 0.00 0.05 0.00 0.00 54.13 53.56 2w9p s LEU 57 Cb -0.18 -1.44 0.10 0.00 -2.05 0.00 0.00 46.19 42.63 2w9p s LEU 57 CO -0.05 0.17 0.09 0.00 -0.55 0.00 0.00 176.35 176.01 2w9p s ALA 58 N -1.18 2.97 0.56 1.48 0.00 -0.09 -0.89 121.76 124.60 2w9p s ALA 58 Ca 0.17 -2.61 0.02 0.00 0.00 0.00 0.00 51.96 49.55 2w9p s ALA 58 Cb -0.10 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 21.03 2w9p s ALA 58 CO 0.09 -1.73 0.78 0.00 0.00 0.00 0.00 175.76 174.90 2w9p s ALA 59 N 0.82 4.01 -0.13 0.00 0.00 -0.14 -1.00 121.76 125.31 2w9p s ALA 59 Ca 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2w9p s ALA 59 Cb -0.20 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 20.98 2w9p s ALA 59 CO -0.07 -0.79 -0.12 -0.08 0.00 0.00 0.00 175.76 174.70 2w9p s THR 60 N -2.75 1.36 -0.25 0.00 -1.32 -0.06 -1.07 115.64 111.54 2w9p s THR 60 Ca 0.59 -0.51 -0.29 0.00 -1.21 0.00 0.00 61.69 60.27 2w9p s THR 60 Cb -0.09 -1.31 -0.01 0.00 -1.51 0.00 0.00 72.50 69.57 2w9p s THR 60 CO 0.39 0.42 1.48 -0.62 -2.21 0.00 0.00 174.62 174.08 2w9p s ASP 61 N 1.54 6.50 1.40 8.08 2.15 -0.14 -0.99 116.67 135.21 2w9p s ASP 61 Ca 0.04 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.46 2w9p s ASP 61 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2w9p s ASP 61 CO -0.09 -1.18 0.00 0.47 -0.17 0.00 0.00 175.17 174.19 2w9p n ASP 62 N 8.10 0.00 -2.76 -0.34 8.00 -0.81 -1.23 116.55 127.52 2w9p n ASP 62 Ca 0.17 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.65 2w9p n ASP 62 Cb 0.46 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.64 2w9p n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w9p n ALA 63 N 8.30 2.69 0.00 2.24 0.00 -1.26 -4.18 120.51 128.29 2w9p n ALA 63 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.28 2w9p n ALA 63 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.84 0.03 3.37 0.00 0.00 -1.08 -5.07 105.19 101.60 2w9p n GLY 64 Ca -0.01 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 2w9p n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w9p s LYS 65 N -1.27 3.00 -0.92 1.61 0.00 -0.36 -4.95 119.74 116.85 2w9p s LYS 65 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 55.97 54.34 2w9p s LYS 65 Cb 0.00 -4.18 0.05 0.00 0.00 0.00 0.00 37.83 33.69 2w9p s LYS 65 CO 0.00 -1.17 1.38 0.21 0.00 0.00 0.00 175.35 175.78 2w9p s LYS 66 N 1.83 3.46 -0.01 1.78 2.20 -1.26 -0.97 119.74 126.77 2w9p s LYS 66 Ca 0.06 -0.85 -0.21 0.00 -0.36 0.00 0.00 55.97 54.61 2w9p s LYS 66 Cb -0.25 -4.96 -0.05 0.00 -1.51 0.00 0.00 37.83 31.06 2w9p s LYS 66 CO 0.06 -2.18 0.60 0.15 -0.36 0.00 0.00 175.35 173.62 2w9p s LYS 67 N 5.16 4.32 0.14 4.03 3.01 -0.24 -4.92 119.74 131.25 2w9p s LYS 67 Ca 0.42 0.73 -0.14 0.00 -1.01 0.00 0.00 55.97 55.97 2w9p s LYS 67 Cb -0.03 -3.35 -0.07 0.00 -1.01 0.00 0.00 37.83 33.37 2w9p s LYS 67 CO -0.02 0.35 0.55 0.42 0.51 0.00 0.00 175.35 177.17 2w9p s ILE 68 N -0.14 4.85 -0.01 2.17 1.01 -1.26 -0.97 121.20 126.85 2w9p s ILE 68 Ca 0.31 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 2w9p s ILE 68 Cb -0.18 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2w9p s ILE 68 CO 0.17 0.25 0.03 -0.31 0.00 0.00 0.00 174.94 175.08 2w9p s TYR 69 N -1.45 -0.02 -0.20 3.97 2.02 -0.07 -0.93 117.35 120.67 2w9p s TYR 69 Ca 0.37 0.05 -0.07 0.00 -0.37 0.00 0.00 57.07 57.05 2w9p s TYR 69 Cb -0.15 0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2w9p s TYR 69 CO 0.19 -0.03 0.07 0.15 -1.57 0.00 0.00 175.55 174.36 2w9p s LYS 70 N -0.06 3.92 0.05 -0.62 1.02 -0.22 -1.03 119.74 122.81 2w9p s LYS 70 Ca -0.01 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.64 2w9p s LYS 70 Cb -0.01 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 2w9p s LYS 70 CO 0.00 0.18 -0.08 0.00 -0.92 0.00 0.00 175.35 174.53 2w9p s ALA 71 N 0.63 0.68 -0.10 5.17 0.00 -0.09 -0.94 121.76 127.11 2w9p s ALA 71 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2w9p s ALA 71 Cb -0.13 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.06 2w9p s ALA 71 CO 0.01 -0.04 -0.13 0.15 0.00 0.00 0.00 175.76 175.75 2w9p s LYS 72 N -1.96 1.95 -0.05 0.00 1.02 -0.20 -1.12 119.74 119.37 2w9p s LYS 72 Ca -0.06 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2w9p s LYS 72 Cb -0.08 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.54 2w9p s LYS 72 CO -0.00 -0.09 -0.03 0.42 -0.92 0.00 0.00 175.35 174.73 2w9p s ILE 73 N 1.07 0.50 -0.43 2.17 1.01 -0.24 -0.93 121.20 124.36 2w9p s ILE 73 Ca -0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 2w9p s ILE 73 Cb -0.15 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.78 2w9p s ILE 73 CO -0.02 0.24 0.92 0.86 0.00 0.00 0.00 174.94 176.93 2w9p s TRP 74 N 1.22 2.98 -0.28 3.97 -0.00 -0.06 -1.11 118.94 125.67 2w9p s TRP 74 Ca -0.06 0.51 -0.01 0.00 -0.00 0.00 0.00 56.10 56.54 2w9p s TRP 74 Cb -0.14 -3.84 0.05 0.00 -0.00 0.00 0.00 33.47 29.54 2w9p s TRP 74 CO -0.02 -0.99 -0.04 0.08 -0.00 0.00 0.00 176.95 175.98 2w9p s VAL 75 N 3.63 2.79 -0.77 5.86 1.01 -0.06 -1.01 120.40 131.84 2w9p s VAL 75 Ca 0.37 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2w9p s VAL 75 Cb -0.11 -2.55 0.19 0.00 0.00 0.00 0.00 36.38 33.91 2w9p s VAL 75 CO 0.23 -0.00 0.62 -0.54 0.00 0.00 0.00 175.10 175.41 2w9p s LYS 76 N 1.24 2.94 0.33 2.72 1.02 -0.22 -1.08 119.74 126.70 2w9p s LYS 76 Ca -0.04 -2.98 0.03 0.00 0.02 0.00 0.00 55.97 53.00 2w9p s LYS 76 Cb -0.19 -3.84 0.59 0.00 -0.52 0.00 0.00 37.83 33.88 2w9p s LYS 76 CO -0.03 -1.23 1.89 1.05 -0.92 0.00 0.00 175.35 176.12 2w9p h GLU 77 N 6.39 0.61 0.00 1.68 9.09 -1.92 0.16 114.58 130.59 2w9p h GLU 77 Ca 0.09 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2w9p h GLU 77 Cb 0.87 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 2w9p h GLU 77 CO 0.78 0.57 0.00 -2.67 0.05 0.00 0.00 179.01 177.74 2w9p n TRP 78 N -4.31 0.00 -0.46 2.06 4.27 -1.26 -0.80 117.44 116.93 2w9p n TRP 78 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 2w9p n TRP 78 Cb 0.21 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.16 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 -0.88 0.38 -0.89 -2.67 1.02 -0.11 -5.01 120.64 112.48 2w9p n GLU 79 Ca 0.04 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2w9p n GLU 79 Cb 0.02 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2w9p n GLU 79 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2w9p n ASP 80 N -0.10 -2.50 -4.67 1.62 4.64 0.02 -5.00 116.55 110.55 2w9p n ASP 80 Ca 0.00 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.99 2w9p n ASP 80 Cb 0.12 -1.69 -0.04 0.00 -1.04 0.00 0.00 41.12 38.47 2w9p n ASP 80 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 2w9p s PHE 81 N -1.93 3.43 -0.08 -0.67 5.36 -0.28 -4.92 117.98 118.89 2w9p s PHE 81 Ca 0.00 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.31 2w9p s PHE 81 Cb 0.00 -3.05 0.01 0.00 -0.34 0.00 0.00 43.02 39.65 2w9p s PHE 81 CO 0.00 -0.24 -0.14 0.15 -1.46 0.00 0.00 175.22 173.53 2w9p s LYS 82 N 2.14 1.93 -0.08 10.12 1.02 -1.25 -1.05 119.74 132.57 2w9p s LYS 82 Ca 0.40 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.91 2w9p s LYS 82 Cb -0.17 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.55 2w9p s LYS 82 CO 0.13 -0.01 -0.04 0.21 -0.92 0.00 0.00 175.35 174.72 2w9p s LYS 83 N 0.81 0.99 -0.18 1.68 2.20 -0.18 -4.96 119.74 120.11 2w9p s LYS 83 Ca -0.11 -0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 2w9p s LYS 83 Cb -0.15 -1.15 -0.00 0.00 -1.51 0.00 0.00 37.83 35.02 2w9p s LYS 83 CO 0.02 -0.22 1.06 0.08 -0.36 0.00 0.00 175.35 175.92 2w9p s VAL 84 N 1.58 4.66 -0.13 4.02 1.01 -1.26 -0.88 120.40 129.40 2w9p s VAL 84 Ca 0.00 1.97 0.15 0.00 0.00 0.00 0.00 61.98 64.10 2w9p s VAL 84 Cb -0.13 -4.27 -0.24 0.00 0.00 0.00 0.00 36.38 31.74 2w9p s VAL 84 CO -0.04 -0.11 0.35 0.52 0.00 0.00 0.00 175.10 175.81 2w9p n VAL 85 N 5.05 1.50 -3.64 2.92 0.31 -0.10 -4.96 118.33 119.41 2w9p n VAL 85 Ca 0.11 -0.82 -0.09 0.00 -0.01 0.00 0.00 64.34 63.53 2w9p n VAL 85 Cb 0.47 -0.77 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 2w9p n VAL 85 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2w9p s GLU 86 N -2.54 0.72 -0.42 5.55 2.12 -1.22 -4.98 118.70 117.92 2w9p s GLU 86 Ca -0.08 1.08 0.02 0.00 0.36 0.00 0.00 54.97 56.34 2w9p s GLU 86 Cb 0.07 0.23 0.14 0.00 0.26 0.00 0.00 34.13 34.82 2w9p s GLU 86 CO 0.82 -0.12 0.23 0.12 -0.54 0.00 0.00 175.26 175.77 2w9p s PHE 87 N 1.13 1.72 0.14 5.30 5.36 -1.26 -1.03 117.98 129.34 2w9p s PHE 87 Ca -0.06 -2.26 -0.22 0.00 -0.96 0.00 0.00 56.93 53.43 2w9p s PHE 87 Cb -0.05 -1.69 -0.08 0.00 -0.34 0.00 0.00 43.02 40.87 2w9p s PHE 87 CO -0.12 -0.79 0.69 0.15 -1.46 0.00 0.00 175.22 173.69 2w9p s LYS 88 N 0.50 4.39 -0.40 10.12 1.02 -0.11 -4.95 119.74 130.31 2w9p s LYS 88 Ca 0.18 0.96 -0.29 0.00 0.02 0.00 0.00 55.97 56.84 2w9p s LYS 88 Cb -0.24 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2w9p s LYS 88 CO 0.00 0.58 1.09 -0.51 -0.92 0.00 0.00 175.35 175.59 2w9p s LEU 89 N -1.25 3.81 0.00 3.17 1.02 -1.26 -1.05 118.68 123.12 2w9p s LEU 89 Ca 0.34 0.73 0.00 0.00 0.02 0.00 0.00 54.13 55.23 2w9p s LEU 89 Cb -0.21 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.49 2w9p s LEU 89 CO 0.23 -1.05 0.00 0.52 0.02 0.00 0.00 176.35 176.07