#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w9p n ILE 5 N 0.00 0.28 -4.45 -0.61 5.41 -1.26 -4.93 119.36 113.80 2w9p n ILE 5 Ca 0.00 -0.05 -0.21 0.00 1.00 0.00 0.00 62.75 63.49 2w9p n ILE 5 Cb 0.00 -2.09 -0.14 0.00 -0.71 0.00 0.00 39.64 36.70 2w9p n ILE 5 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2w9p s VAL 6 N 2.34 1.19 -0.20 1.39 1.01 -0.29 -4.96 120.40 120.89 2w9p s VAL 6 Ca 0.80 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 2w9p s VAL 6 Cb -0.49 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2w9p s VAL 6 CO 0.36 0.09 0.69 0.21 0.00 0.00 0.00 175.10 176.44 2w9p s ASN 7 N -1.00 6.74 0.11 3.32 2.47 -1.26 -0.99 114.94 124.33 2w9p s ASN 7 Ca 0.03 0.91 -0.34 0.00 0.42 0.00 0.00 52.86 53.88 2w9p s ASN 7 Cb -0.08 -2.38 -0.13 0.00 -1.45 0.00 0.00 41.25 37.22 2w9p s ASN 7 CO 0.01 -0.33 1.66 0.52 -3.72 0.00 0.00 177.10 175.24 2w9p n VAL 8 N 4.78 0.14 1.33 -5.21 0.31 0.11 -4.93 118.33 114.87 2w9p n VAL 8 Ca 0.00 -0.02 0.13 0.00 -0.01 0.00 0.00 64.34 64.44 2w9p n VAL 8 Cb 0.49 -1.66 0.46 0.00 -0.91 0.00 0.00 33.84 32.22 2w9p n VAL 8 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2w9p n PRO 9 N 4.21 0.98 -3.24 5.55 -0.04 -1.26 -4.40 135.00 136.80 2w9p n PRO 9 Ca 0.18 -0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 62.86 2w9p n PRO 9 Cb 0.30 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 2w9p n PRO 9 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2w9p n ASN 10 N -0.54 2.36 0.28 3.54 0.23 -1.26 -4.96 115.26 114.91 2w9p n ASN 10 Ca 0.14 -3.19 0.19 0.00 -0.53 0.00 0.00 54.58 51.19 2w9p n ASN 10 Cb 0.33 -0.64 0.95 0.00 -2.08 0.00 0.00 39.78 38.35 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 3.79 0.00 -0.55 -0.53 0.13 -1.94 -0.59 132.00 132.32 2w9p h PRO 11 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2w9p h PRO 11 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2w9p h PRO 11 CO 0.67 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 2w9p n ASN 12 N -2.86 4.14 -4.72 1.44 4.13 -1.26 -4.67 115.26 111.46 2w9p n ASN 12 Ca -0.02 -2.36 -0.33 0.00 1.68 0.00 0.00 54.58 53.56 2w9p n ASN 12 Cb 0.12 -0.49 0.11 0.00 -1.54 0.00 0.00 39.78 37.98 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 -1.08 4.03 0.37 6.41 0.02 -0.23 -4.76 114.94 119.71 2w9p s ASN 13 Ca 0.44 2.21 0.20 0.00 -1.02 0.00 0.00 52.86 54.68 2w9p s ASN 13 Cb 0.27 -2.57 1.09 0.00 0.02 0.00 0.00 41.25 40.06 2w9p s ASN 13 CO 0.22 -2.36 1.57 0.71 0.02 0.00 0.00 177.10 177.26 2w9p h THR 14 N -0.75 0.00 0.11 1.60 1.35 -1.93 -0.21 112.91 113.08 2w9p h THR 14 Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 2w9p h THR 14 Cb 1.27 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2w9p h THR 14 CO 0.48 0.00 -0.05 0.11 -0.25 0.00 0.00 175.52 175.81 2w9p h LYS 15 N 0.00 -0.15 0.00 4.72 1.57 -1.96 -0.64 116.57 120.11 2w9p h LYS 15 Ca 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2w9p h LYS 15 Cb 0.31 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2w9p h LYS 15 CO 0.00 0.33 -0.39 0.74 -0.57 0.00 0.00 179.45 179.56 2w9p h PHE 16 N -0.73 0.00 -0.03 -1.35 0.05 -1.39 -0.90 116.94 112.59 2w9p h PHE 16 Ca -0.02 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.72 2w9p h PHE 16 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.50 2w9p h PHE 16 CO 0.09 0.39 -0.21 1.96 -0.18 0.00 0.00 178.31 180.36 2w9p h GLN 17 N 0.00 0.19 -0.93 1.51 4.20 -1.22 -0.59 115.11 118.27 2w9p h GLN 17 Ca -0.00 -0.17 0.23 0.00 0.06 0.00 0.00 58.65 58.77 2w9p h GLN 17 Cb 0.85 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.49 2w9p h GLN 17 CO 0.05 0.85 -0.02 1.49 -0.67 0.00 0.00 178.83 180.53 2w9p h GLU 18 N -0.41 0.03 0.17 1.46 4.81 -0.74 -0.19 114.58 119.71 2w9p h GLU 18 Ca -0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2w9p h GLU 18 Cb 0.90 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2w9p h GLU 18 CO 0.04 0.02 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.19 2w9p h LEU 19 N 0.03 -0.20 -0.27 1.64 4.07 -1.15 -0.53 115.31 118.91 2w9p h LEU 19 Ca 0.53 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.34 2w9p h LEU 19 Cb 1.02 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 2w9p h LEU 19 CO -0.87 0.04 0.18 0.00 -1.08 0.00 0.00 178.44 176.71 2w9p h ALA 20 N 0.34 0.34 0.00 1.53 0.00 -0.65 -0.48 119.26 120.35 2w9p h ALA 20 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2w9p h ALA 20 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2w9p h ALA 20 CO 0.04 -0.19 -0.18 0.00 0.00 0.00 0.00 179.25 178.92 2w9p h ARG 21 N 0.36 0.00 -0.16 0.00 3.08 -1.08 0.24 114.38 116.82 2w9p h ARG 21 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2w9p h ARG 21 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2w9p h ARG 21 CO -0.02 0.18 0.03 0.35 -1.07 0.00 0.00 179.97 179.44 2w9p h PHE 22 N 0.00 0.29 -0.22 3.04 3.57 -0.19 -0.42 116.94 123.01 2w9p h PHE 22 Ca -0.00 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.51 2w9p h PHE 22 Cb 0.36 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2w9p h PHE 22 CO 0.00 0.43 -0.07 0.00 -2.23 0.00 0.00 178.31 176.44 2w9p h ALA 23 N 0.82 0.12 -0.33 2.41 0.00 0.57 -0.11 119.26 122.75 2w9p h ALA 23 Ca 0.05 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2w9p h ALA 23 Cb 0.30 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2w9p h ALA 23 CO 0.00 -0.49 0.13 0.82 0.00 0.00 0.00 179.25 179.71 2w9p h ILE 24 N -0.03 0.93 0.49 0.00 1.08 -1.09 -0.62 117.51 118.27 2w9p h ILE 24 Ca 0.11 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2w9p h ILE 24 Cb 0.20 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2w9p h ILE 24 CO -0.25 0.05 -0.40 -0.61 -0.69 0.00 0.00 178.15 176.25 2w9p h GLN 25 N 0.28 -0.85 -0.72 2.37 -0.00 -0.00 -0.48 115.11 115.70 2w9p h GLN 25 Ca 0.14 0.06 0.16 0.00 -0.00 0.00 0.00 58.65 59.01 2w9p h GLN 25 Cb 0.10 0.19 -0.11 0.00 0.00 0.00 0.00 27.48 27.66 2w9p h GLN 25 CO -0.14 -0.57 0.11 0.22 0.00 0.00 0.00 178.83 178.45 2w9p h ASP 26 N -0.88 -0.12 -0.18 -0.69 3.58 -0.83 -0.35 116.42 116.94 2w9p h ASP 26 Ca -0.05 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2w9p h ASP 26 Cb 0.76 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2w9p h ASP 26 CO -0.02 -0.09 0.09 0.22 -2.88 0.00 0.00 179.24 176.56 2w9p h TYR 27 N 0.20 0.27 -0.93 0.28 -0.00 -0.83 -0.45 116.97 115.51 2w9p h TYR 27 Ca 0.40 -0.01 0.13 0.00 -0.00 0.00 0.00 58.73 59.25 2w9p h TYR 27 Cb 0.69 -0.08 -0.09 0.00 -0.00 0.00 0.00 36.73 37.25 2w9p h TYR 27 CO -0.32 0.29 0.55 -0.91 -0.00 0.00 0.00 178.16 177.78 2w9p h ASN 28 N 0.16 0.76 0.21 -2.11 -0.26 0.50 -0.67 115.58 114.18 2w9p h ASN 28 Ca 0.06 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 2w9p h ASN 28 Cb 0.13 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2w9p h ASN 28 CO -0.01 0.38 -0.10 0.50 -1.06 0.00 0.00 177.43 177.14 2w9p h LYS 29 N 0.83 -0.27 0.00 0.81 3.64 -0.97 -0.28 116.57 120.33 2w9p h LYS 29 Ca 0.48 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2w9p h LYS 29 Cb 0.56 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2w9p h LYS 29 CO -0.30 -0.18 -0.01 1.57 -2.27 0.00 0.00 179.45 178.26 2w9p h LYS 30 N -0.55 0.00 0.00 1.90 2.10 -1.04 -2.60 116.57 116.38 2w9p h LYS 30 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2w9p h LYS 30 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2w9p h LYS 30 CO 0.05 0.01 -0.09 0.94 -2.00 0.00 0.00 179.45 178.36 2w9p n GLN 31 N -3.71 1.12 -1.87 0.07 -0.06 -0.26 -5.06 117.38 107.60 2w9p n GLN 31 Ca -0.03 -2.20 -0.10 0.00 -2.00 0.00 0.00 57.00 52.67 2w9p n GLN 31 Cb 0.09 -1.27 0.01 0.00 -4.06 0.00 0.00 30.24 25.01 2w9p n GLN 31 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2w9p n ASN 32 N -1.10 -2.45 -4.11 1.69 5.15 -0.26 -4.97 115.26 109.20 2w9p n ASN 32 Ca 0.12 0.02 -0.08 0.00 -0.60 0.00 0.00 54.58 54.04 2w9p n ASN 32 Cb 0.63 -0.66 -0.10 0.00 -0.53 0.00 0.00 39.78 39.12 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 -0.53 0.65 -0.35 5.20 0.00 -0.36 -5.02 121.76 121.36 2w9p s ALA 33 Ca 0.10 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2w9p s ALA 33 Cb -0.01 0.46 0.10 0.00 0.00 0.00 0.00 23.12 23.68 2w9p s ALA 33 CO 0.22 -0.40 0.09 -1.01 0.00 0.00 0.00 175.76 174.66 2w9p s HIS 34 N -3.95 2.91 -0.03 0.00 3.76 -1.26 -4.47 115.29 112.25 2w9p s HIS 34 Ca 0.13 -2.54 -0.00 0.00 -0.15 0.00 0.00 55.06 52.49 2w9p s HIS 34 Cb 0.08 -2.44 0.03 0.00 1.11 0.00 0.00 32.58 31.36 2w9p s HIS 34 CO -0.06 -0.90 0.03 -0.48 -0.85 0.00 0.00 174.74 172.48 2w9p s LEU 35 N 1.04 0.90 0.39 0.89 2.34 -1.26 -4.05 118.68 118.94 2w9p s LEU 35 Ca 0.11 0.02 0.05 0.00 0.06 0.00 0.00 54.13 54.37 2w9p s LEU 35 Cb -0.19 -0.15 -0.00 0.00 -0.56 0.00 0.00 46.19 45.29 2w9p s LEU 35 CO -0.13 -0.15 0.56 -1.61 -1.06 0.00 0.00 176.35 173.96 2w9p s GLU 36 N 1.31 3.02 0.16 1.48 8.01 -0.21 -4.93 118.70 127.54 2w9p s GLU 36 Ca -0.06 -0.89 0.04 0.00 0.01 0.00 0.00 54.97 54.07 2w9p s GLU 36 Cb -0.13 -2.72 -0.04 0.00 -4.31 0.00 0.00 34.13 26.93 2w9p s GLU 36 CO -0.03 -0.12 0.18 0.12 0.01 0.00 0.00 175.26 175.42 2w9p s PHE 37 N -2.34 3.24 0.00 1.61 2.19 -1.26 -0.88 117.98 120.54 2w9p s PHE 37 Ca 0.48 0.02 0.00 0.00 0.33 0.00 0.00 56.93 57.76 2w9p s PHE 37 Cb -0.10 -1.55 0.00 0.00 -1.31 0.00 0.00 43.02 40.06 2w9p s PHE 37 CO 0.34 0.52 0.00 0.28 1.83 0.00 0.00 175.22 178.18 2w9p n VAL 38 N -0.43 0.00 -3.86 3.12 0.31 -0.30 -4.79 118.33 112.39 2w9p n VAL 38 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 2w9p n VAL 38 Cb 0.55 -0.59 -0.07 0.00 -0.91 0.00 0.00 33.84 32.81 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 0.00 0.84 -0.30 5.55 -1.05 -0.17 -5.00 118.70 118.57 2w9p s GLU 39 Ca 0.00 -0.95 -0.28 0.00 -0.15 0.00 0.00 54.97 53.59 2w9p s GLU 39 Cb 0.00 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2w9p s GLU 39 CO 0.00 -0.26 1.03 -0.80 0.95 0.00 0.00 175.26 176.17 2w9p s ASN 40 N -2.84 6.93 0.07 0.83 0.02 -1.26 -0.81 114.94 117.87 2w9p s ASN 40 Ca 0.05 1.06 -0.28 0.00 -1.02 0.00 0.00 52.86 52.68 2w9p s ASN 40 Cb 0.05 -2.52 -0.17 0.00 0.02 0.00 0.00 41.25 38.62 2w9p s ASN 40 CO -0.11 -0.80 1.60 0.25 0.02 0.00 0.00 177.10 178.06 2w9p h LEU 41 N 9.86 -0.37 -7.00 0.60 7.12 -1.33 -3.45 115.31 120.74 2w9p h LEU 41 Ca -0.21 -0.03 0.16 0.00 0.13 0.00 0.00 57.88 57.93 2w9p h LEU 41 Cb 1.07 0.10 -0.17 0.00 -0.53 0.00 0.00 40.66 41.12 2w9p h LEU 41 CO 1.00 -0.21 0.60 0.54 -0.13 0.00 0.00 178.44 180.24 2w9p s ASN 42 N -4.86 -0.29 -0.10 1.25 2.20 -0.18 -4.96 114.94 108.00 2w9p s ASN 42 Ca -0.15 0.02 -0.00 0.00 -0.94 0.00 0.00 52.86 51.78 2w9p s ASN 42 Cb 0.04 0.30 0.02 0.00 -2.00 0.00 0.00 41.25 39.61 2w9p s ASN 42 CO 0.63 -0.48 -0.07 -0.69 -2.94 0.00 0.00 177.10 173.55 2w9p s VAL 43 N -2.80 0.91 0.06 3.54 1.01 -1.26 -0.93 120.40 120.93 2w9p s VAL 43 Ca 0.06 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2w9p s VAL 43 Cb -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2w9p s VAL 43 CO -0.07 0.34 -0.03 -0.54 0.00 0.00 0.00 175.10 174.80 2w9p s LYS 44 N 1.61 2.51 0.02 2.72 3.01 -0.24 -0.71 119.74 128.66 2w9p s LYS 44 Ca 0.02 -0.81 0.03 0.00 -1.01 0.00 0.00 55.97 54.20 2w9p s LYS 44 Cb -0.13 -2.51 -0.02 0.00 -1.01 0.00 0.00 37.83 34.16 2w9p s LYS 44 CO -0.06 0.56 -0.10 -1.83 0.51 0.00 0.00 175.35 174.43 2w9p s GLU 45 N -2.01 0.71 -0.03 1.68 -1.05 -0.16 -0.91 118.70 116.93 2w9p s GLU 45 Ca 0.22 -0.58 0.01 0.00 -0.15 0.00 0.00 54.97 54.48 2w9p s GLU 45 Cb -0.11 -0.65 0.02 0.00 -0.44 0.00 0.00 34.13 32.94 2w9p s GLU 45 CO 0.14 0.16 -0.04 -1.14 0.95 0.00 0.00 175.26 175.34 2w9p s GLN 46 N -0.90 0.60 -0.78 -4.83 0.74 -0.20 -1.14 119.66 113.16 2w9p s GLN 46 Ca -0.01 -0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.06 2w9p s GLN 46 Cb -0.07 -0.64 0.03 0.00 1.10 0.00 0.00 33.01 33.43 2w9p s GLN 46 CO 0.00 -0.05 1.33 0.08 -0.55 0.00 0.00 175.29 176.11 2w9p s VAL 47 N 0.68 3.73 0.00 1.34 1.01 -1.26 -0.81 120.40 125.10 2w9p s VAL 47 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2w9p s VAL 47 Cb -0.11 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.37 2w9p s VAL 47 CO -0.00 -1.83 0.00 0.52 0.00 0.00 0.00 175.10 173.79 2w9p n VAL 48 N 6.50 0.00 -2.95 2.92 0.31 -1.26 -4.83 118.33 119.02 2w9p n VAL 48 Ca 0.08 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.18 2w9p n VAL 48 Cb 0.49 0.00 -0.03 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 3.88 0.00 3.52 0.00 -1.26 -4.87 120.51 118.78 2w9p n ALA 49 Ca 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.24 2w9p n ALA 49 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.27 2.89 0.00 0.00 -1.26 -4.88 105.19 101.55 2w9p n GLY 50 Ca 0.29 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.27 -0.09 -0.61 1.01 -0.27 -4.60 121.20 116.37 2w9p s ILE 51 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 2w9p s ILE 51 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2w9p s ILE 51 CO 0.00 0.13 0.49 -0.32 0.00 0.00 0.00 174.94 175.25 2w9p s MET 52 N 2.18 4.31 -0.15 2.79 1.75 0.01 -1.06 119.30 129.14 2w9p s MET 52 Ca 0.01 0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 54.92 2w9p s MET 52 Cb -0.12 -3.41 -0.02 0.00 2.84 0.00 0.00 34.83 34.12 2w9p s MET 52 CO -0.06 0.22 -0.07 0.71 -0.65 0.00 0.00 175.02 175.16 2w9p s TYR 53 N 0.41 2.94 -0.36 4.11 2.02 0.11 -1.03 117.35 125.55 2w9p s TYR 53 Ca 0.27 -0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 56.45 2w9p s TYR 53 Cb -0.16 -1.92 0.05 0.00 -0.40 0.00 0.00 41.96 39.54 2w9p s TYR 53 CO 0.12 -0.12 0.14 0.71 -1.57 0.00 0.00 175.55 174.83 2w9p s TYR 54 N 0.39 3.30 -0.24 2.71 2.02 -0.08 -0.92 117.35 124.53 2w9p s TYR 54 Ca -0.07 -1.54 -0.04 0.00 -0.37 0.00 0.00 57.07 55.05 2w9p s TYR 54 Cb -0.15 -2.50 -0.00 0.00 -0.40 0.00 0.00 41.96 38.91 2w9p s TYR 54 CO 0.04 -0.78 -0.01 0.42 -1.57 0.00 0.00 175.55 173.66 2w9p s ILE 55 N 1.38 3.52 -0.26 2.71 -1.09 -0.32 -1.08 121.20 126.05 2w9p s ILE 55 Ca 0.00 -0.59 -0.18 0.00 -2.23 0.00 0.00 60.65 57.65 2w9p s ILE 55 Cb -0.21 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 2w9p s ILE 55 CO 0.02 0.30 0.52 -0.89 -1.23 0.00 0.00 174.94 173.66 2w9p s THR 56 N 1.47 5.07 -0.05 2.92 2.01 -0.11 -1.18 115.64 125.77 2w9p s THR 56 Ca 0.04 0.90 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2w9p s THR 56 Cb -0.15 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.55 2w9p s THR 56 CO -0.02 0.09 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.50 2w9p s LEU 57 N 2.29 1.07 -0.32 4.42 0.05 -0.12 -0.87 118.68 125.21 2w9p s LEU 57 Ca 0.22 -0.10 -0.27 0.00 0.05 0.00 0.00 54.13 54.02 2w9p s LEU 57 Cb -0.16 -0.40 0.01 0.00 -2.05 0.00 0.00 46.19 43.59 2w9p s LEU 57 CO 0.09 -0.11 1.00 0.00 -0.55 0.00 0.00 176.35 176.78 2w9p s ALA 58 N 1.26 3.50 0.00 1.48 0.00 0.01 -0.87 121.76 127.14 2w9p s ALA 58 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2w9p s ALA 58 Cb -0.14 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.40 2w9p s ALA 58 CO -0.02 -1.43 -0.01 0.00 0.00 0.00 0.00 175.76 174.30 2w9p s ALA 59 N 3.48 0.09 -0.14 0.00 0.00 -0.20 -1.00 121.76 123.99 2w9p s ALA 59 Ca 0.42 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 2w9p s ALA 59 Cb -0.13 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2w9p s ALA 59 CO 0.15 -0.01 0.30 0.99 0.00 0.00 0.00 175.76 177.19 2w9p s THR 60 N -0.29 5.29 -0.30 0.00 2.01 -0.06 -1.04 115.64 121.25 2w9p s THR 60 Ca -0.03 0.57 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 2w9p s THR 60 Cb -0.02 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 2w9p s THR 60 CO -0.00 0.41 0.69 -0.62 -0.69 0.00 0.00 174.62 174.41 2w9p s ASP 61 N 0.26 6.57 0.00 3.53 -1.08 -0.26 -1.04 116.67 124.65 2w9p s ASP 61 Ca 0.17 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 52.74 2w9p s ASP 61 Cb -0.13 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2w9p s ASP 61 CO 0.05 -0.52 0.00 0.47 0.52 0.00 0.00 175.17 175.69 2w9p n ASP 62 N 5.99 0.00 -3.90 -0.34 9.92 -1.26 -1.31 116.55 125.65 2w9p n ASP 62 Ca 0.01 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.96 2w9p n ASP 62 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 2w9p n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2w9p n ALA 63 N 0.00 -1.22 0.00 2.24 0.00 -1.26 -4.60 120.51 115.67 2w9p n ALA 63 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2w9p n ALA 63 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 19.45 15.56 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 -1.50 -1.13 3.32 0.00 0.00 -1.22 -5.16 105.19 99.50 2w9p n GLY 64 Ca 0.04 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 3.36 -0.12 1.61 1.02 -0.42 -5.00 119.74 118.18 2w9p s LYS 65 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 2w9p s LYS 65 Cb 0.00 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 2w9p s LYS 65 CO 0.00 -0.08 1.33 -1.59 -0.92 0.00 0.00 175.35 174.09 2w9p s LYS 66 N 1.14 4.24 -0.04 1.68 0.00 -1.26 -1.10 119.74 124.40 2w9p s LYS 66 Ca 0.01 1.77 0.01 0.00 0.00 0.00 0.00 55.97 57.76 2w9p s LYS 66 Cb -0.14 -3.76 0.02 0.00 0.00 0.00 0.00 37.83 33.94 2w9p s LYS 66 CO -0.02 -0.69 -0.04 0.15 0.00 0.00 0.00 175.35 174.75 2w9p s LYS 67 N 3.37 0.78 0.01 1.78 1.02 -0.20 -4.97 119.74 121.52 2w9p s LYS 67 Ca 0.58 -0.10 -0.16 0.00 0.02 0.00 0.00 55.97 56.31 2w9p s LYS 67 Cb -0.25 -0.79 -0.06 0.00 -0.52 0.00 0.00 37.83 36.22 2w9p s LYS 67 CO 0.19 -0.07 0.45 0.42 -0.92 0.00 0.00 175.35 175.42 2w9p s ILE 68 N 0.83 4.97 0.22 2.17 1.01 -1.26 -1.03 121.20 128.11 2w9p s ILE 68 Ca -0.11 0.93 0.10 0.00 0.00 0.00 0.00 60.65 61.57 2w9p s ILE 68 Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2w9p s ILE 68 CO 0.00 0.56 -0.19 -0.31 0.00 0.00 0.00 174.94 175.01 2w9p s TYR 69 N -1.01 2.01 -0.37 3.97 2.02 -0.05 -1.08 117.35 122.85 2w9p s TYR 69 Ca 0.25 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2w9p s TYR 69 Cb -0.17 -0.94 0.11 0.00 -0.40 0.00 0.00 41.96 40.56 2w9p s TYR 69 CO 0.14 0.49 0.10 0.15 -1.57 0.00 0.00 175.55 174.86 2w9p s LYS 70 N -3.25 1.46 0.25 -0.62 1.02 0.04 -0.95 119.74 117.70 2w9p s LYS 70 Ca 0.23 -1.91 0.03 0.00 0.02 0.00 0.00 55.97 54.34 2w9p s LYS 70 Cb -0.04 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 2w9p s LYS 70 CO 0.10 -0.98 0.40 0.00 -0.92 0.00 0.00 175.35 173.94 2w9p s ALA 71 N 0.77 3.87 -0.18 5.17 0.00 -0.32 -1.12 121.76 129.95 2w9p s ALA 71 Ca 0.12 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2w9p s ALA 71 Cb -0.20 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.15 2w9p s ALA 71 CO -0.09 0.24 0.27 0.21 0.00 0.00 0.00 175.76 176.40 2w9p s LYS 72 N -3.89 0.20 -0.10 0.00 2.20 -0.09 -1.18 119.74 116.88 2w9p s LYS 72 Ca 0.36 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 2w9p s LYS 72 Cb -0.10 -0.53 0.01 0.00 -1.51 0.00 0.00 37.83 35.71 2w9p s LYS 72 CO 0.30 -0.48 -0.15 0.42 -0.36 0.00 0.00 175.35 175.08 2w9p s ILE 73 N 2.41 1.50 -0.22 5.43 -1.09 -0.09 -1.00 121.20 128.14 2w9p s ILE 73 Ca 0.05 -0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 57.71 2w9p s ILE 73 Cb -0.14 -1.37 -0.05 0.00 -1.58 0.00 0.00 42.46 39.33 2w9p s ILE 73 CO -0.11 0.44 0.18 0.86 -1.23 0.00 0.00 174.94 175.08 2w9p s TRP 74 N 0.92 3.36 -0.06 3.97 -0.00 -0.14 -0.71 118.94 126.28 2w9p s TRP 74 Ca -0.08 0.32 0.02 0.00 -0.00 0.00 0.00 56.10 56.36 2w9p s TRP 74 Cb -0.15 -2.27 0.01 0.00 -0.00 0.00 0.00 33.47 31.06 2w9p s TRP 74 CO -0.01 0.13 -0.12 0.08 -0.00 0.00 0.00 176.95 177.04 2w9p s VAL 75 N 0.84 1.11 -0.51 5.86 1.01 -0.22 -1.04 120.40 127.44 2w9p s VAL 75 Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2w9p s VAL 75 Cb -0.13 -1.02 0.15 0.00 0.00 0.00 0.00 36.38 35.38 2w9p s VAL 75 CO 0.03 0.35 0.33 -0.54 0.00 0.00 0.00 175.10 175.26 2w9p s LYS 76 N 0.63 1.62 0.58 2.72 1.02 -0.21 -1.11 119.74 125.00 2w9p s LYS 76 Ca -0.14 -2.45 0.38 0.00 0.02 0.00 0.00 55.97 53.78 2w9p s LYS 76 Cb -0.15 -2.60 1.87 0.00 -0.52 0.00 0.00 37.83 36.43 2w9p s LYS 76 CO 0.03 -1.22 2.14 1.05 -0.92 0.00 0.00 175.35 176.43 2w9p h GLU 77 N 6.17 0.00 -0.76 1.68 9.09 -1.94 0.36 114.58 129.18 2w9p h GLU 77 Ca 0.07 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.31 2w9p h GLU 77 Cb 0.87 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.88 2w9p h GLU 77 CO 0.55 0.00 0.21 -2.67 0.05 0.00 0.00 179.01 177.15 2w9p n TRP 78 N -2.99 2.15 -0.07 2.06 4.27 -1.26 -2.91 117.44 118.70 2w9p n TRP 78 Ca -0.01 -1.01 0.00 0.00 -3.89 0.00 0.00 57.50 52.59 2w9p n TRP 78 Cb 0.17 -0.61 0.00 0.00 -1.36 0.00 0.00 31.31 29.51 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 0.02 2.66 -3.80 -2.67 1.02 -0.26 -5.02 120.64 112.58 2w9p n GLU 79 Ca 0.35 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.25 2w9p n GLU 79 Cb 1.25 -0.22 0.01 0.00 -0.02 0.00 0.00 31.44 32.46 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 0.00 -1.06 -4.83 1.62 9.92 0.11 -5.00 116.55 117.30 2w9p n ASP 80 Ca 0.00 -0.88 -0.37 0.00 -0.53 0.00 0.00 54.79 53.01 2w9p n ASP 80 Cb 0.00 -3.72 -0.06 0.00 -0.64 0.00 0.00 41.12 36.70 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 -3.74 3.56 -0.09 1.24 5.36 -0.20 -4.97 117.98 119.14 2w9p s PHE 81 Ca 0.04 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 56.51 2w9p s PHE 81 Cb -0.02 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.64 2w9p s PHE 81 CO 0.84 0.60 0.20 0.15 -1.46 0.00 0.00 175.22 175.55 2w9p s LYS 82 N -0.63 0.16 -0.04 10.12 3.01 -1.26 -1.04 119.74 130.07 2w9p s LYS 82 Ca 0.15 0.45 0.00 0.00 -1.01 0.00 0.00 55.97 55.56 2w9p s LYS 82 Cb -0.12 -0.13 0.03 0.00 -1.01 0.00 0.00 37.83 36.59 2w9p s LYS 82 CO 0.04 -0.16 -0.01 0.21 0.51 0.00 0.00 175.35 175.95 2w9p s LYS 83 N 1.15 0.45 -0.49 1.68 2.47 -0.21 -4.97 119.74 119.83 2w9p s LYS 83 Ca -0.09 0.05 -0.27 0.00 -1.56 0.00 0.00 55.97 54.10 2w9p s LYS 83 Cb -0.10 -0.63 0.03 0.00 -1.46 0.00 0.00 37.83 35.67 2w9p s LYS 83 CO -0.07 -0.15 1.05 0.08 0.16 0.00 0.00 175.35 176.42 2w9p s VAL 84 N 1.16 4.30 0.01 4.02 1.01 -1.26 -0.97 120.40 128.67 2w9p s VAL 84 Ca -0.08 0.95 0.10 0.00 0.00 0.00 0.00 61.98 62.95 2w9p s VAL 84 Cb -0.14 -4.55 -0.11 0.00 0.00 0.00 0.00 36.38 31.58 2w9p s VAL 84 CO -0.02 -0.98 1.30 0.58 0.00 0.00 0.00 175.10 175.98 2w9p h VAL 85 N 6.16 1.35 -1.17 2.92 2.07 -1.44 -3.48 116.25 122.66 2w9p h VAL 85 Ca -0.24 -2.93 0.19 0.00 0.82 0.00 0.00 66.70 64.53 2w9p h VAL 85 Cb 1.07 2.66 -0.29 0.00 -1.52 0.00 0.00 31.29 33.20 2w9p h VAL 85 CO 1.09 0.77 0.83 -1.83 0.02 0.00 0.00 177.57 178.45 2w9p s GLU 86 N -2.80 0.16 -0.31 1.57 -1.05 -1.16 -5.02 118.70 110.09 2w9p s GLU 86 Ca 0.02 0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 54.92 2w9p s GLU 86 Cb 0.09 0.08 0.10 0.00 -0.44 0.00 0.00 34.13 33.96 2w9p s GLU 86 CO 0.79 -0.03 0.13 0.12 0.95 0.00 0.00 175.26 177.22 2w9p s PHE 87 N -0.44 0.87 0.03 4.83 2.19 -1.26 -0.92 117.98 123.29 2w9p s PHE 87 Ca 0.07 -1.28 -0.00 0.00 0.33 0.00 0.00 56.93 56.04 2w9p s PHE 87 Cb -0.03 -1.21 -0.04 0.00 -1.31 0.00 0.00 43.02 40.43 2w9p s PHE 87 CO -0.10 -0.84 0.16 0.21 1.83 0.00 0.00 175.22 176.48 2w9p s LYS 88 N 1.80 3.30 0.49 10.12 2.20 -0.28 -4.93 119.74 132.44 2w9p s LYS 88 Ca 0.10 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 55.06 2w9p s LYS 88 Cb -0.17 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 2w9p s LYS 88 CO -0.29 0.63 1.06 -1.17 -0.36 0.00 0.00 175.35 175.22 2w9p s LEU 89 N -2.20 3.86 0.00 5.43 2.96 -1.26 -0.78 118.68 126.70 2w9p s LEU 89 Ca 0.30 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 2w9p s LEU 89 Cb -0.13 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.05 2w9p s LEU 89 CO 0.22 -0.83 0.38 0.52 -1.32 0.00 0.00 176.35 175.32