#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 4.60 -0.14 -0.61 1.01 -1.25 -4.50 121.20 120.30 2w9p s ILE 5 Ca 0.00 1.59 -0.03 0.00 0.00 0.00 0.00 60.65 62.21 2w9p s ILE 5 Cb 0.00 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2w9p s ILE 5 CO 0.00 -0.40 -0.03 -0.69 0.00 0.00 0.00 174.94 173.82 2w9p s VAL 6 N 3.43 3.96 0.16 2.92 1.01 -0.23 -4.92 120.40 126.73 2w9p s VAL 6 Ca 0.42 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2w9p s VAL 6 Cb -0.13 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 2w9p s VAL 6 CO 0.14 0.51 1.22 0.20 0.00 0.00 0.00 175.10 177.17 2w9p s ASN 7 N 0.14 7.05 -0.14 3.32 -0.87 -1.26 -0.92 114.94 122.26 2w9p s ASN 7 Ca -0.01 2.22 -0.16 0.00 -1.57 0.00 0.00 52.86 53.33 2w9p s ASN 7 Cb -0.14 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.45 2w9p s ASN 7 CO 0.03 -0.42 0.40 0.68 -2.57 0.00 0.00 177.10 175.22 2w9p s VAL 8 N 0.24 5.23 0.37 1.60 -7.23 -0.37 -4.92 120.40 115.33 2w9p s VAL 8 Ca 0.55 0.79 0.09 0.00 -1.81 0.00 0.00 61.98 61.60 2w9p s VAL 8 Cb -0.33 -3.74 0.15 0.00 0.56 0.00 0.00 36.38 33.02 2w9p s VAL 8 CO 0.35 0.35 1.89 1.55 -0.31 0.00 0.00 175.10 178.93 2w9p h PRO 9 N 6.73 0.28 -2.44 4.82 0.13 -1.95 -3.20 132.00 136.37 2w9p h PRO 9 Ca -0.41 -0.07 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 2w9p h PRO 9 Cb 1.17 -0.04 -0.37 0.00 0.13 0.00 0.00 31.00 31.90 2w9p h PRO 9 CO 0.76 0.42 -0.05 -1.71 -0.23 0.00 0.00 178.00 177.18 2w9p n ASN 10 N -4.26 4.92 0.33 1.44 4.05 -1.26 -4.90 115.26 115.58 2w9p n ASN 10 Ca -0.00 -3.47 0.22 0.00 0.45 0.00 0.00 54.58 51.77 2w9p n ASN 10 Cb 0.28 -0.89 1.18 0.00 1.23 0.00 0.00 39.78 41.58 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 4.48 0.00 -0.01 1.20 0.11 -1.91 -0.62 132.00 135.25 2w9p h PRO 11 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2w9p h PRO 11 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2w9p h PRO 11 CO 1.02 0.00 -0.21 0.09 -0.21 0.00 0.00 178.00 178.69 2w9p n ASN 12 N -3.05 0.93 -4.72 -2.05 4.13 -1.26 -4.69 115.26 104.55 2w9p n ASN 12 Ca -0.03 -0.86 -0.33 0.00 1.68 0.00 0.00 54.58 55.05 2w9p n ASN 12 Cb 0.08 0.08 0.11 0.00 -1.54 0.00 0.00 39.78 38.52 2w9p n ASN 12 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2w9p s ASN 13 N -2.47 3.90 0.33 6.41 2.47 -0.24 -4.65 114.94 120.69 2w9p s ASN 13 Ca 0.26 2.24 0.10 0.00 0.42 0.00 0.00 52.86 55.88 2w9p s ASN 13 Cb 0.19 -2.57 0.97 0.00 -1.45 0.00 0.00 41.25 38.39 2w9p s ASN 13 CO 0.50 -2.45 1.62 0.74 -3.72 0.00 0.00 177.10 173.79 2w9p h THR 14 N -0.81 0.18 -0.21 -5.21 2.02 -1.94 -0.21 112.91 106.73 2w9p h THR 14 Ca -0.46 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2w9p h THR 14 Cb 1.28 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2w9p h THR 14 CO 0.48 0.03 0.01 0.50 0.37 0.00 0.00 175.52 176.91 2w9p h LYS 15 N 0.15 0.37 -0.78 6.66 3.64 -1.97 -0.34 116.57 124.30 2w9p h LYS 15 Ca 0.68 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.91 2w9p h LYS 15 Cb 1.55 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 2w9p h LYS 15 CO -0.72 0.55 0.32 0.74 -2.27 0.00 0.00 179.45 178.06 2w9p h PHE 16 N 0.14 1.18 -0.08 1.91 0.05 -1.45 0.70 116.94 119.39 2w9p h PHE 16 Ca 0.06 -0.08 -0.11 0.00 3.82 0.00 0.00 57.97 61.65 2w9p h PHE 16 Cb 0.37 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 2w9p h PHE 16 CO 0.03 0.89 -0.46 1.96 -0.18 0.00 0.00 178.31 180.55 2w9p h GLN 17 N 1.14 0.20 -0.26 1.51 4.20 -1.05 -0.43 115.11 120.41 2w9p h GLN 17 Ca 0.26 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2w9p h GLN 17 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2w9p h GLN 17 CO -0.02 0.63 -0.19 0.93 -0.67 0.00 0.00 178.83 179.51 2w9p h GLU 18 N 0.16 0.46 0.43 1.46 5.08 0.89 -0.03 114.58 123.02 2w9p h GLU 18 Ca 0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2w9p h GLU 18 Cb 0.88 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2w9p h GLU 18 CO 0.07 0.63 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.23 2w9p h LEU 19 N 0.41 -1.11 -0.45 1.33 4.07 -0.80 -0.36 115.31 118.40 2w9p h LEU 19 Ca 0.07 0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.20 2w9p h LEU 19 Cb 0.56 0.37 -0.07 0.00 1.08 0.00 0.00 40.66 42.61 2w9p h LEU 19 CO 0.04 -0.57 0.05 0.00 -1.08 0.00 0.00 178.44 176.88 2w9p h ALA 20 N -0.51 0.47 -0.68 1.53 0.00 -0.47 0.17 119.26 119.76 2w9p h ALA 20 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2w9p h ALA 20 Cb 0.75 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2w9p h ALA 20 CO -0.05 -0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.19 2w9p h ARG 21 N 0.17 0.96 -0.31 0.00 3.08 -0.93 -0.09 114.38 117.26 2w9p h ARG 21 Ca 0.22 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2w9p h ARG 21 Cb 0.31 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2w9p h ARG 21 CO -0.33 0.73 0.19 0.35 -1.07 0.00 0.00 179.97 179.84 2w9p h PHE 22 N 0.96 0.41 -0.69 3.04 3.57 0.11 -0.22 116.94 124.11 2w9p h PHE 22 Ca 0.24 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2w9p h PHE 22 Cb 0.07 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2w9p h PHE 22 CO 0.01 0.30 0.46 0.00 -2.23 0.00 0.00 178.31 176.84 2w9p h ALA 23 N 1.08 0.88 -0.49 2.41 0.00 0.02 -0.56 119.26 122.60 2w9p h ALA 23 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2w9p h ALA 23 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2w9p h ALA 23 CO -0.02 0.30 -0.21 0.82 0.00 0.00 0.00 179.25 180.14 2w9p h ILE 24 N 0.94 1.27 -0.43 0.00 2.04 -0.77 -0.59 117.51 119.97 2w9p h ILE 24 Ca 0.26 -1.37 0.07 0.00 1.00 0.00 0.00 64.86 64.81 2w9p h ILE 24 Cb -0.10 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2w9p h ILE 24 CO -0.06 0.48 0.07 -0.61 0.00 0.00 0.00 178.15 178.03 2w9p h GLN 25 N 0.87 0.20 -0.49 2.37 4.15 -0.15 -0.11 115.11 121.94 2w9p h GLN 25 Ca 0.11 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 2w9p h GLN 25 Cb 0.79 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 2w9p h GLN 25 CO 0.07 0.13 0.01 0.22 -1.93 0.00 0.00 178.83 177.33 2w9p h ASP 26 N 0.20 0.77 -0.03 -0.69 3.58 -0.92 -1.09 116.42 118.25 2w9p h ASP 26 Ca 0.21 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2w9p h ASP 26 Cb 0.26 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2w9p h ASP 26 CO -0.28 0.83 0.00 0.22 -2.88 0.00 0.00 179.24 177.13 2w9p h TYR 27 N 0.75 0.05 -0.34 0.28 3.20 -0.24 -0.29 116.97 120.39 2w9p h TYR 27 Ca 0.15 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.06 2w9p h TYR 27 Cb 0.44 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 2w9p h TYR 27 CO 0.02 0.30 -0.52 -0.91 -1.64 0.00 0.00 178.16 175.41 2w9p h ASN 28 N -0.21 -1.71 0.64 -2.11 2.35 -0.81 0.22 115.58 113.95 2w9p h ASN 28 Ca 0.01 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2w9p h ASN 28 Cb 0.27 0.70 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2w9p h ASN 28 CO 0.00 -0.41 0.00 1.17 -1.65 0.00 0.00 177.43 176.54 2w9p n LYS 29 N -5.40 0.06 0.00 0.81 3.00 -0.43 -1.09 118.16 115.11 2w9p n LYS 29 Ca -0.03 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2w9p n LYS 29 Cb 0.35 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2w9p n LYS 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2w9p n LYS 30 N -1.73 0.00 0.00 1.64 3.00 0.57 -4.42 118.16 117.22 2w9p n LYS 30 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2w9p n LYS 30 Cb 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 35.03 34.92 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 -0.80 0.59 -3.36 1.64 3.00 -0.04 -4.86 117.38 113.54 2w9p n GLN 31 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 2w9p n GLN 31 Cb 0.00 -1.27 0.09 0.00 0.00 0.00 0.00 30.24 29.06 2w9p n GLN 31 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2w9p n ASN 32 N 0.14 -2.48 -3.63 1.08 5.15 -0.25 -5.00 115.26 110.28 2w9p n ASN 32 Ca 0.00 -0.61 -0.02 0.00 -0.60 0.00 0.00 54.58 53.35 2w9p n ASN 32 Cb 0.13 -4.99 -0.06 0.00 -0.53 0.00 0.00 39.78 34.33 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 -3.35 -2.31 -0.32 5.20 0.00 -0.30 -5.04 121.76 115.63 2w9p s ALA 33 Ca 0.04 2.19 -0.23 0.00 0.00 0.00 0.00 51.96 53.96 2w9p s ALA 33 Cb -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2w9p s ALA 33 CO 0.71 -0.40 0.79 -3.38 0.00 0.00 0.00 175.76 173.48 2w9p s HIS 34 N 1.44 3.18 0.10 0.00 -3.43 -1.26 -3.92 115.29 111.40 2w9p s HIS 34 Ca -0.09 0.76 0.05 0.00 -0.80 0.00 0.00 55.06 54.98 2w9p s HIS 34 Cb -0.04 -3.26 -0.04 0.00 -1.43 0.00 0.00 32.58 27.81 2w9p s HIS 34 CO -0.15 -0.61 0.02 -0.51 -2.00 0.00 0.00 174.74 171.49 2w9p s LEU 35 N 2.99 3.51 -0.33 5.38 1.43 -1.26 -4.91 118.68 125.49 2w9p s LEU 35 Ca 0.32 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 2w9p s LEU 35 Cb -0.14 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2w9p s LEU 35 CO 0.14 0.16 0.45 -1.61 0.23 0.00 0.00 176.35 175.71 2w9p s GLU 36 N -2.44 3.69 0.07 1.70 2.02 -0.24 -4.77 118.70 118.72 2w9p s GLU 36 Ca 0.27 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.08 2w9p s GLU 36 Cb -0.11 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.34 2w9p s GLU 36 CO 0.19 -0.53 0.15 1.97 0.02 0.00 0.00 175.26 177.06 2w9p n PHE 37 N 5.56 0.00 0.00 1.61 1.16 -1.26 -1.00 117.46 123.53 2w9p n PHE 37 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.51 2w9p n PHE 37 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 2w9p n PHE 37 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2w9p n VAL 38 N -0.59 0.00 0.00 1.97 0.31 -0.41 -4.58 118.33 115.02 2w9p n VAL 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2w9p n VAL 38 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 2w9p n VAL 38 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2w9p n GLU 39 N -0.00 -0.27 -2.29 5.55 0.00 -0.28 -4.97 120.64 118.38 2w9p n GLU 39 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2w9p n GLU 39 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 2w9p n GLU 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2w9p s ASN 40 N 0.00 6.93 -0.10 -1.84 0.02 -1.26 -0.95 114.94 117.73 2w9p s ASN 40 Ca 0.00 2.12 0.01 0.00 -1.02 0.00 0.00 52.86 53.97 2w9p s ASN 40 Cb 0.00 -2.57 -0.25 0.00 0.02 0.00 0.00 41.25 38.45 2w9p s ASN 40 CO 0.00 -0.61 0.42 0.18 0.02 0.00 0.00 177.10 177.11 2w9p n LEU 41 N 4.52 2.00 -3.59 0.60 4.32 -0.18 -4.65 117.00 120.02 2w9p n LEU 41 Ca 0.11 0.25 -0.14 0.00 -0.02 0.00 0.00 56.01 56.21 2w9p n LEU 41 Cb 0.44 -0.64 -0.06 0.00 -1.62 0.00 0.00 43.42 41.55 2w9p n LEU 41 CO 0.57 0.70 0.27 0.21 -1.22 0.00 0.00 177.39 177.92 2w9p s ASN 42 N -6.65 -0.44 -0.18 -1.43 2.47 -0.34 -4.96 114.94 103.41 2w9p s ASN 42 Ca -0.17 0.23 -0.04 0.00 0.42 0.00 0.00 52.86 53.30 2w9p s ASN 42 Cb 0.07 0.48 0.08 0.00 -1.45 0.00 0.00 41.25 40.43 2w9p s ASN 42 CO 0.78 -0.67 0.17 -0.69 -3.72 0.00 0.00 177.10 172.97 2w9p s VAL 43 N -2.15 -0.23 0.15 -5.21 1.01 -1.26 -0.91 120.40 111.80 2w9p s VAL 43 Ca -0.07 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2w9p s VAL 43 Cb -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2w9p s VAL 43 CO 0.01 -0.20 0.06 -0.54 0.00 0.00 0.00 175.10 174.43 2w9p s LYS 44 N 2.26 2.66 -0.02 2.72 1.02 -0.18 -1.24 119.74 126.96 2w9p s LYS 44 Ca 0.05 -0.95 0.07 0.00 0.02 0.00 0.00 55.97 55.16 2w9p s LYS 44 Cb -0.16 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2w9p s LYS 44 CO -0.10 0.49 -0.23 -2.00 -0.92 0.00 0.00 175.35 172.58 2w9p s GLU 45 N -2.90 1.85 -0.10 1.68 -6.30 -0.09 -0.97 118.70 111.86 2w9p s GLU 45 Ca 0.29 -0.83 -0.06 0.00 -2.50 0.00 0.00 54.97 51.87 2w9p s GLU 45 Cb -0.10 -1.79 0.04 0.00 0.00 0.00 0.00 34.13 32.28 2w9p s GLU 45 CO 0.21 0.49 0.25 -1.14 0.02 0.00 0.00 175.26 175.09 2w9p s GLN 46 N -0.56 0.23 -0.71 4.30 0.74 -0.32 -1.06 119.66 122.28 2w9p s GLN 46 Ca 0.09 0.49 -0.27 0.00 0.05 0.00 0.00 55.36 55.72 2w9p s GLN 46 Cb -0.09 -0.05 0.03 0.00 1.10 0.00 0.00 33.01 34.00 2w9p s GLN 46 CO -0.01 -0.13 1.29 0.08 -0.55 0.00 0.00 175.29 175.98 2w9p s VAL 47 N 0.97 3.75 0.00 1.34 1.01 -1.26 -0.82 120.40 125.38 2w9p s VAL 47 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2w9p s VAL 47 Cb -0.08 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.45 2w9p s VAL 47 CO -0.06 -1.74 0.00 0.52 0.00 0.00 0.00 175.10 173.82 2w9p n VAL 48 N 6.46 0.00 0.03 2.92 0.31 -1.26 -4.90 118.33 121.89 2w9p n VAL 48 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.35 2w9p n VAL 48 Cb 0.49 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.33 2w9p n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2w9p h ALA 49 N -2.00 0.67 -3.00 3.52 0.00 -1.93 -3.45 119.26 113.07 2w9p h ALA 49 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2w9p h ALA 49 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2w9p h ALA 49 CO 0.00 1.11 0.00 0.41 0.00 0.00 0.00 179.25 180.77 2w9p n GLY 50 N 1.42 1.33 3.08 0.00 0.00 -1.26 -5.07 105.19 104.69 2w9p n GLY 50 Ca -0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 0.97 -0.09 -0.22 -0.61 1.01 -0.23 -4.62 121.20 117.40 2w9p s ILE 51 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 2w9p s ILE 51 Cb 0.00 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 2w9p s ILE 51 CO 0.00 0.07 0.14 -0.32 0.00 0.00 0.00 174.94 174.83 2w9p s MET 52 N 1.45 4.10 -0.20 2.79 -2.45 -0.00 -0.93 119.30 124.06 2w9p s MET 52 Ca -0.08 -0.26 -0.05 0.00 -1.25 0.00 0.00 55.69 54.06 2w9p s MET 52 Cb -0.10 -3.48 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 2w9p s MET 52 CO -0.09 0.15 -0.01 0.71 1.05 0.00 0.00 175.02 176.83 2w9p s TYR 53 N 0.79 3.01 -0.36 4.11 2.02 -0.11 -1.18 117.35 125.65 2w9p s TYR 53 Ca 0.07 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2w9p s TYR 53 Cb -0.13 -2.08 0.07 0.00 -0.40 0.00 0.00 41.96 39.42 2w9p s TYR 53 CO 0.02 -0.30 0.12 0.71 -1.57 0.00 0.00 175.55 174.53 2w9p s TYR 54 N 1.08 3.37 -0.24 2.71 1.51 -0.14 -0.89 117.35 124.75 2w9p s TYR 54 Ca 0.02 -1.88 -0.07 0.00 -1.01 0.00 0.00 57.07 54.13 2w9p s TYR 54 Cb -0.14 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 2w9p s TYR 54 CO 0.01 -0.84 0.06 0.42 -1.11 0.00 0.00 175.55 174.09 2w9p s ILE 55 N 1.28 4.32 -0.31 2.71 1.01 0.00 -1.01 121.20 129.19 2w9p s ILE 55 Ca 0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 2w9p s ILE 55 Cb -0.21 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2w9p s ILE 55 CO -0.01 0.36 0.63 -0.89 0.00 0.00 0.00 174.94 175.03 2w9p s THR 56 N 1.45 4.93 0.21 2.92 2.01 -0.08 -0.99 115.64 126.08 2w9p s THR 56 Ca 0.05 0.83 0.07 0.00 0.31 0.00 0.00 61.69 62.95 2w9p s THR 56 Cb -0.15 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2w9p s THR 56 CO 0.03 -0.16 -0.11 -1.48 -0.69 0.00 0.00 174.62 172.21 2w9p s LEU 57 N 2.62 2.51 -0.08 4.42 0.05 -0.21 -1.01 118.68 126.99 2w9p s LEU 57 Ca 0.25 -1.07 0.04 0.00 0.05 0.00 0.00 54.13 53.41 2w9p s LEU 57 Cb -0.15 -0.57 0.00 0.00 -2.05 0.00 0.00 46.19 43.42 2w9p s LEU 57 CO 0.12 -0.26 -0.21 0.00 -0.55 0.00 0.00 176.35 175.45 2w9p s ALA 58 N -3.09 1.90 0.41 1.48 0.00 -0.12 -1.07 121.76 121.27 2w9p s ALA 58 Ca 0.23 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2w9p s ALA 58 Cb 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2w9p s ALA 58 CO 0.07 0.28 0.12 0.00 0.00 0.00 0.00 175.76 176.23 2w9p n ALA 59 N 3.42 0.54 -2.87 0.00 0.00 -0.39 -1.12 120.51 120.08 2w9p n ALA 59 Ca -0.19 -2.04 -0.10 0.00 0.00 0.00 0.00 53.44 51.10 2w9p n ALA 59 Cb 0.53 1.34 -0.09 0.00 0.00 0.00 0.00 19.45 21.23 2w9p n ALA 59 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2w9p s THR 60 N -3.01 0.11 0.12 0.00 -4.23 -0.17 -1.17 115.64 107.29 2w9p s THR 60 Ca 0.18 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.83 2w9p s THR 60 Cb 0.01 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 2w9p s THR 60 CO 0.12 -0.50 0.00 -1.81 -0.54 0.00 0.00 174.62 171.89 2w9p s ASP 61 N -1.91 4.93 0.00 3.99 1.01 -0.13 -1.08 116.67 123.48 2w9p s ASP 61 Ca -0.08 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 52.93 2w9p s ASP 61 Cb -0.03 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.77 2w9p s ASP 61 CO -0.03 0.14 0.00 -0.67 0.21 0.00 0.00 175.17 174.83 2w9p n ASP 62 N 0.32 0.00 0.00 0.27 4.64 -1.26 -1.22 116.55 119.30 2w9p n ASP 62 Ca -0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.30 2w9p n ASP 62 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.61 2w9p n ASP 62 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2w9p n ALA 63 N 6.98 0.00 -1.60 -1.67 0.00 -1.26 -4.69 120.51 118.27 2w9p n ALA 63 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2w9p n ALA 63 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 4.38 5.14 3.34 0.00 0.00 -1.26 -4.84 105.19 111.95 2w9p n GLY 64 Ca 0.00 -2.16 -0.46 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.18 3.92 0.77 1.61 -0.14 -0.35 -4.99 119.74 117.38 2w9p s LYS 65 Ca 0.54 -2.82 -0.11 0.00 -1.36 0.00 0.00 55.97 52.22 2w9p s LYS 65 Cb 0.42 -4.54 0.06 0.00 -1.68 0.00 0.00 37.83 32.09 2w9p s LYS 65 CO -0.25 -1.30 1.11 -1.59 -0.76 0.00 0.00 175.35 172.55 2w9p s LYS 66 N -0.40 2.14 -0.19 1.68 0.00 -1.26 -0.95 119.74 120.76 2w9p s LYS 66 Ca 0.26 1.29 -0.28 0.00 0.00 0.00 0.00 55.97 57.24 2w9p s LYS 66 Cb -0.10 -1.88 0.10 0.00 0.00 0.00 0.00 37.83 35.96 2w9p s LYS 66 CO -0.08 -1.74 0.88 0.21 0.00 0.00 0.00 175.35 174.61 2w9p s LYS 67 N -4.69 0.73 -0.29 1.78 2.47 -0.32 -4.87 119.74 114.55 2w9p s LYS 67 Ca 0.63 0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 55.40 2w9p s LYS 67 Cb -0.19 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.50 2w9p s LYS 67 CO 0.54 -0.17 0.18 0.42 0.16 0.00 0.00 175.35 176.47 2w9p s ILE 68 N -0.48 5.04 0.45 5.43 1.09 -1.26 -1.26 121.20 130.20 2w9p s ILE 68 Ca -0.02 -0.07 0.07 0.00 -1.10 0.00 0.00 60.65 59.53 2w9p s ILE 68 Cb -0.02 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 37.90 2w9p s ILE 68 CO 0.01 0.17 0.34 -0.31 -0.10 0.00 0.00 174.94 175.06 2w9p s TYR 69 N 1.71 2.42 0.01 3.97 2.02 -0.23 -0.92 117.35 126.32 2w9p s TYR 69 Ca 0.06 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 2w9p s TYR 69 Cb -0.16 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2w9p s TYR 69 CO 0.09 -0.13 -0.06 0.21 -1.57 0.00 0.00 175.55 174.09 2w9p s LYS 70 N -4.11 0.44 0.00 -0.62 2.20 -0.23 -1.04 119.74 116.38 2w9p s LYS 70 Ca 0.43 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 2w9p s LYS 70 Cb -0.01 -0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 35.93 2w9p s LYS 70 CO 0.25 0.10 -0.01 0.00 -0.36 0.00 0.00 175.35 175.33 2w9p s ALA 71 N -0.42 0.07 -0.13 3.13 0.00 -0.16 -1.11 121.76 123.13 2w9p s ALA 71 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 2w9p s ALA 71 Cb -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2w9p s ALA 71 CO -0.00 -0.01 -0.12 0.15 0.00 0.00 0.00 175.76 175.78 2w9p s LYS 72 N -0.20 3.42 -0.03 0.00 1.02 -0.11 -0.82 119.74 123.01 2w9p s LYS 72 Ca -0.02 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.32 2w9p s LYS 72 Cb -0.01 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2w9p s LYS 72 CO -0.00 0.21 -0.05 0.42 -0.92 0.00 0.00 175.35 175.01 2w9p s ILE 73 N 0.36 0.56 -0.34 2.17 1.01 -0.06 -0.88 121.20 124.01 2w9p s ILE 73 Ca -0.10 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 2w9p s ILE 73 Cb -0.16 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 2w9p s ILE 73 CO 0.05 0.21 0.31 0.86 0.00 0.00 0.00 174.94 176.37 2w9p s TRP 74 N 0.60 3.22 0.02 3.97 -0.00 -0.05 -0.93 118.94 125.76 2w9p s TRP 74 Ca -0.08 -0.13 0.05 0.00 -0.00 0.00 0.00 56.10 55.94 2w9p s TRP 74 Cb -0.11 -2.58 -0.03 0.00 -0.00 0.00 0.00 33.47 30.74 2w9p s TRP 74 CO 0.00 -0.41 -0.11 0.14 -0.00 0.00 0.00 176.95 176.57 2w9p s VAL 75 N 1.87 3.30 -0.50 5.86 -7.23 -0.10 -0.99 120.40 122.61 2w9p s VAL 75 Ca 0.09 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 2w9p s VAL 75 Cb -0.17 -2.43 0.17 0.00 0.56 0.00 0.00 36.38 34.51 2w9p s VAL 75 CO 0.11 0.36 0.38 -0.54 -0.31 0.00 0.00 175.10 175.10 2w9p s LYS 76 N -1.46 1.41 0.48 4.82 1.02 -0.19 -1.07 119.74 124.75 2w9p s LYS 76 Ca 0.16 -2.47 0.15 0.00 0.02 0.00 0.00 55.97 53.84 2w9p s LYS 76 Cb -0.11 -2.10 1.13 0.00 -0.52 0.00 0.00 37.83 36.22 2w9p s LYS 76 CO 0.07 -1.34 2.07 0.93 -0.92 0.00 0.00 175.35 176.16 2w9p h GLU 77 N 5.68 0.02 -0.05 1.68 5.08 -1.92 -0.01 114.58 125.05 2w9p h GLU 77 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2w9p h GLU 77 Cb 0.86 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2w9p h GLU 77 CO 0.48 0.10 0.00 -2.67 -1.00 0.00 0.00 179.01 175.92 2w9p n TRP 78 N -4.43 0.00 -0.69 4.33 4.27 -1.26 -2.14 117.44 117.52 2w9p n TRP 78 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 2w9p n TRP 78 Cb 0.17 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 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 -0.43 0.00 -0.90 -2.67 1.02 -0.18 -4.99 120.64 112.49 2w9p n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2w9p n GLU 79 Cb 0.01 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 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 0.00 -3.86 -4.72 1.62 2.03 -0.67 -4.95 116.55 106.01 2w9p n ASP 80 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2w9p n ASP 80 Cb 0.14 -2.52 -0.03 0.00 -0.72 0.00 0.00 41.12 37.99 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 -1.38 3.47 -0.02 -0.67 5.36 -0.24 -4.92 117.98 119.58 2w9p s PHE 81 Ca 0.00 1.36 -0.01 0.00 -0.96 0.00 0.00 56.93 57.32 2w9p s PHE 81 Cb 0.00 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 2w9p s PHE 81 CO 0.00 -1.13 0.04 0.15 -1.46 0.00 0.00 175.22 172.82 2w9p s LYS 82 N 0.81 0.05 -0.09 10.12 1.02 -1.26 -1.02 119.74 129.38 2w9p s LYS 82 Ca 0.57 0.05 -0.04 0.00 0.02 0.00 0.00 55.97 56.57 2w9p s LYS 82 Cb -0.29 0.03 0.05 0.00 -0.52 0.00 0.00 37.83 37.09 2w9p s LYS 82 CO 0.30 -0.01 0.18 0.21 -0.92 0.00 0.00 175.35 175.11 2w9p s LYS 83 N 0.00 0.06 -0.27 1.68 2.20 -0.16 -4.94 119.74 118.30 2w9p s LYS 83 Ca -0.00 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 55.88 2w9p s LYS 83 Cb -0.00 -0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.09 2w9p s LYS 83 CO 0.00 -0.28 1.44 0.08 -0.36 0.00 0.00 175.35 176.23 2w9p s VAL 84 N 2.12 3.94 -0.15 4.02 1.01 -1.26 -0.87 120.40 129.20 2w9p s VAL 84 Ca 0.01 1.05 0.18 0.00 0.00 0.00 0.00 61.98 63.22 2w9p s VAL 84 Cb -0.12 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 2w9p s VAL 84 CO -0.06 -0.42 0.87 0.52 0.00 0.00 0.00 175.10 176.01 2w9p n VAL 85 N 6.36 1.03 -3.58 2.92 0.31 -0.06 -4.98 118.33 120.33 2w9p n VAL 85 Ca 0.17 -0.65 -0.09 0.00 -0.01 0.00 0.00 64.34 63.76 2w9p n VAL 85 Cb 0.46 -0.63 -0.04 0.00 -0.91 0.00 0.00 33.84 32.72 2w9p n VAL 85 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2w9p s GLU 86 N -3.04 0.51 -0.24 5.55 2.02 -1.17 -4.94 118.70 117.38 2w9p s GLU 86 Ca -0.02 0.06 -0.13 0.00 0.02 0.00 0.00 54.97 54.90 2w9p s GLU 86 Cb 0.09 0.24 0.07 0.00 0.10 0.00 0.00 34.13 34.63 2w9p s GLU 86 CO 0.81 -0.17 0.59 0.12 0.02 0.00 0.00 175.26 176.62 2w9p s PHE 87 N -1.38 -0.90 -0.23 1.61 2.19 -1.25 -0.94 117.98 117.07 2w9p s PHE 87 Ca 0.01 1.83 -0.24 0.00 0.33 0.00 0.00 56.93 58.86 2w9p s PHE 87 Cb -0.01 0.51 0.07 0.00 -1.31 0.00 0.00 43.02 42.28 2w9p s PHE 87 CO -0.01 -0.46 0.68 -1.59 1.83 0.00 0.00 175.22 175.66 2w9p s LYS 88 N 1.58 0.83 0.10 10.12 -2.85 -0.27 -4.97 119.74 124.28 2w9p s LYS 88 Ca -0.10 0.87 -0.22 0.00 -1.00 0.00 0.00 55.97 55.52 2w9p s LYS 88 Cb -0.06 0.40 -0.07 0.00 -2.06 0.00 0.00 37.83 36.04 2w9p s LYS 88 CO -0.17 -0.12 0.67 -0.48 0.10 0.00 0.00 175.35 175.34 2w9p s LEU 89 N 0.19 4.54 0.00 2.77 2.34 -1.26 -1.06 118.68 126.19 2w9p s LEU 89 Ca -0.01 1.41 0.32 0.00 0.06 0.00 0.00 54.13 55.91 2w9p s LEU 89 Cb -0.04 -3.08 1.87 0.00 -0.56 0.00 0.00 46.19 44.38 2w9p s LEU 89 CO 0.02 0.21 2.21 0.52 -1.06 0.00 0.00 176.35 178.25