#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2w n GLU 8 N 0.00 2.77 -0.84 -0.52 4.71 -1.26 -4.95 120.64 120.55 3g2w n GLU 8 Ca 0.00 1.01 -0.33 0.00 -0.01 0.00 0.00 57.16 57.83 3g2w n GLU 8 Cb 0.00 -2.89 0.11 0.00 -1.01 0.00 0.00 31.44 27.65 3g2w n GLU 8 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3g2w n THR 9 N 4.58 0.18 -0.23 2.62 -2.24 -1.26 -4.82 114.28 113.11 3g2w n THR 9 Ca 0.18 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3g2w n THR 9 Cb 0.37 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3g2w n THR 9 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3g2w h LEU 10 N -1.44 0.77 0.17 3.22 5.85 -1.96 -2.37 115.31 119.55 3g2w h LEU 10 Ca -0.44 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.25 3g2w h LEU 10 Cb 1.29 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 3g2w h LEU 10 CO 0.35 0.59 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.25 3g2w h GLU 11 N 0.88 -0.69 -0.83 1.25 3.07 -1.98 -0.08 114.58 116.20 3g2w h GLU 11 Ca 0.24 0.05 0.17 0.00 -0.50 0.00 0.00 59.36 59.31 3g2w h GLU 11 Cb -0.05 0.16 -0.10 0.00 -0.84 0.00 0.00 28.75 27.91 3g2w h GLU 11 CO -0.05 -0.46 0.37 0.00 -1.40 0.00 0.00 179.01 177.47 3g2w h ALA 12 N -0.32 1.24 0.38 3.43 0.00 -1.91 -1.77 119.26 120.31 3g2w h ALA 12 Ca 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g2w h ALA 12 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3g2w h ALA 12 CO -0.23 -0.21 -0.18 -0.09 0.00 0.00 0.00 179.25 178.54 3g2w h ARG 13 N 0.49 -0.49 -0.36 0.00 9.65 -1.01 -2.44 114.38 120.22 3g2w h ARG 13 Ca 0.47 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.49 3g2w h ARG 13 Cb 0.76 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 3g2w h ARG 13 CO -0.43 -0.17 0.26 0.97 2.80 0.00 0.00 179.97 183.40 3g2w h ILE 14 N -0.84 0.80 0.00 1.20 6.09 -0.90 -1.51 117.51 122.35 3g2w h ILE 14 Ca -0.05 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.28 3g2w h ILE 14 Cb 0.54 0.81 -0.02 0.00 0.47 0.00 0.00 36.82 38.62 3g2w h ILE 14 CO 0.08 0.00 -0.78 0.78 -3.07 0.00 0.00 178.15 175.17 3g2w h ASN 15 N 0.00 0.00 0.59 2.19 2.35 -0.92 -2.05 115.58 117.73 3g2w h ASN 15 Ca 0.17 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.66 3g2w h ASN 15 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3g2w h ASN 15 CO -0.00 0.78 -1.19 0.03 -1.65 0.00 0.00 177.43 175.40 3g2w h ARG 16 N 0.00 0.29 0.00 0.81 3.08 -0.98 -2.92 114.38 114.65 3g2w h ARG 16 Ca -0.01 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3g2w h ARG 16 Cb 1.47 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.68 3g2w h ARG 16 CO 0.10 1.20 0.00 0.00 -1.07 0.00 0.00 179.97 180.20 3g2w h ALA 17 N 0.62 1.00 -0.04 0.04 0.00 -1.19 -3.28 119.26 116.40 3g2w h ALA 17 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g2w h ALA 17 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3g2w h ALA 17 CO 0.20 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3g2w n THR 18 N -3.01 0.83 -1.69 0.00 -2.24 -0.78 -4.76 114.28 102.63 3g2w n THR 18 Ca 0.03 -0.92 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 3g2w n THR 18 Cb 0.46 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 3g2w n THR 18 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3g2w s ASN 19 N -0.85 6.44 0.07 3.42 3.84 -1.10 -4.15 114.94 122.60 3g2w s ASN 19 Ca 0.03 2.62 0.14 0.00 0.21 0.00 0.00 52.86 55.87 3g2w s ASN 19 Cb 0.02 -2.53 0.61 0.00 -0.55 0.00 0.00 41.25 38.80 3g2w s ASN 19 CO 0.02 -1.07 1.44 -0.81 -2.79 0.00 0.00 177.10 173.90 3g2w n PRO 20 N 7.55 0.05 0.14 0.43 -0.04 -1.26 -1.58 135.00 140.29 3g2w n PRO 20 Ca 0.20 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3g2w n PRO 20 Cb 0.41 -1.61 0.45 0.00 -0.04 0.00 0.00 33.50 32.72 3g2w n PRO 20 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3g2w h LEU 21 N 0.00 0.00 -9.44 1.53 3.38 -1.98 -3.47 115.31 105.32 3g2w h LEU 21 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3g2w h LEU 21 Cb 0.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 3g2w h LEU 21 CO 0.00 0.00 1.05 0.20 0.09 0.00 0.00 178.44 179.78 3g2w s ASN 22 N -4.65 6.55 0.24 -0.43 0.01 -0.61 -4.92 114.94 111.13 3g2w s ASN 22 Ca 0.07 2.54 0.11 0.00 -0.71 0.00 0.00 52.86 54.88 3g2w s ASN 22 Cb 0.10 -2.56 0.20 0.00 0.41 0.00 0.00 41.25 39.40 3g2w s ASN 22 CO 0.51 -0.93 1.51 0.11 -1.51 0.00 0.00 177.10 176.79 3g2w h LYS 23 N 8.66 0.00 -4.27 -0.60 1.79 -1.91 -3.46 116.57 116.79 3g2w h LYS 23 Ca -0.44 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.84 3g2w h LYS 23 Cb 1.21 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.73 3g2w h LYS 23 CO 0.94 0.68 -0.43 -1.83 -1.08 0.00 0.00 179.45 177.73 3g2w s GLU 24 N -3.24 1.36 0.30 3.15 -1.05 -1.26 -5.13 118.70 112.83 3g2w s GLU 24 Ca 0.00 -1.52 -0.29 0.00 -0.15 0.00 0.00 54.97 53.01 3g2w s GLU 24 Cb 0.11 0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 34.04 3g2w s GLU 24 CO 0.77 -0.50 1.40 -0.51 0.95 0.00 0.00 175.26 177.36 3g2w s LEU 25 N -3.12 4.39 -0.62 1.83 1.43 -1.26 -4.97 118.68 116.36 3g2w s LEU 25 Ca 0.33 2.75 -0.08 0.00 -1.03 0.00 0.00 54.13 56.10 3g2w s LEU 25 Cb 0.04 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.78 3g2w s LEU 25 CO 0.12 -0.67 0.49 -0.62 0.23 0.00 0.00 176.35 175.90 3g2w s ASP 26 N -0.06 5.78 0.13 2.29 2.15 -1.26 -4.95 116.67 120.75 3g2w s ASP 26 Ca 0.54 -2.49 -0.09 0.00 0.43 0.00 0.00 52.55 50.94 3g2w s ASP 26 Cb -0.42 -1.99 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 3g2w s ASP 26 CO 0.51 -0.53 1.38 -0.50 -0.17 0.00 0.00 175.17 175.85 3g2w h TRP 27 N 7.71 0.94 -0.98 -5.34 4.06 -1.98 -0.97 115.95 119.38 3g2w h TRP 27 Ca -0.05 -0.39 0.31 0.00 2.06 0.00 0.00 58.89 60.82 3g2w h TRP 27 Cb 1.02 -0.16 -0.18 0.00 -1.00 0.00 0.00 29.16 28.84 3g2w h TRP 27 CO 0.76 1.19 0.21 0.00 -3.56 0.00 0.00 178.44 177.05 3g2w h ALA 28 N 0.71 1.49 0.00 1.49 0.00 -1.99 0.14 119.26 121.10 3g2w h ALA 28 Ca -0.03 0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.85 3g2w h ALA 28 Cb 1.30 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 3g2w h ALA 28 CO 0.14 -0.67 -2.11 0.43 0.00 0.00 0.00 179.25 177.04 3g2w n SER 29 N -5.39 0.45 0.01 0.00 7.64 -1.11 -1.82 113.62 113.39 3g2w n SER 29 Ca 0.27 0.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.23 3g2w n SER 29 Cb 0.91 0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 64.56 3g2w n SER 29 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3g2w h ILE 30 N 0.00 0.77 0.07 0.44 2.04 -0.66 -2.63 117.51 117.55 3g2w h ILE 30 Ca -0.44 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.15 3g2w h ILE 30 Cb 2.14 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3g2w h ILE 30 CO 0.05 0.00 -1.13 0.78 0.00 0.00 0.00 178.15 177.85 3g2w h ASN 31 N -0.09 0.66 0.00 1.72 2.35 -0.87 -2.89 115.58 116.46 3g2w h ASN 31 Ca 0.06 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 3g2w h ASN 31 Cb 0.18 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3g2w h ASN 31 CO -0.15 1.41 0.07 1.23 -1.65 0.00 0.00 177.43 178.35 3g2w h GLY 32 N 0.92 0.00 0.00 2.83 0.00 -1.35 -1.74 103.07 103.73 3g2w h GLY 32 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3g2w h GLY 32 CO 0.20 0.00 -0.22 -2.75 0.00 0.00 0.00 176.54 173.77 3g2w h PHE 33 N 0.00 0.00 -0.67 5.60 3.04 -1.25 -2.20 116.94 121.46 3g2w h PHE 33 Ca 0.00 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.09 3g2w h PHE 33 Cb 0.14 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.54 3g2w h PHE 33 CO 0.00 0.71 0.02 0.00 -2.02 0.00 0.00 178.31 177.03 3g2w h GLU 35 N 0.13 0.00 -0.11 0.00 5.08 -1.41 -3.15 114.58 115.12 3g2w h GLU 35 Ca 0.36 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.51 3g2w h GLU 35 Cb 0.59 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3g2w h GLU 35 CO -0.56 0.00 -0.76 0.37 -1.00 0.00 0.00 179.01 177.06 3g2w h GLN 36 N 0.00 0.71 -0.25 2.33 5.75 -0.89 -2.59 115.11 120.17 3g2w h GLN 36 Ca 0.11 -0.61 0.07 0.00 -0.15 0.00 0.00 58.65 58.07 3g2w h GLN 36 Cb 0.17 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3g2w h GLN 36 CO -0.24 1.22 0.25 1.37 -2.65 0.00 0.00 178.83 178.79 3g2w h LEU 37 N 0.39 0.00 0.00 -2.39 8.10 -1.25 -0.66 115.31 119.50 3g2w h LEU 37 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 3g2w h LEU 37 Cb 1.40 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.62 3g2w h LEU 37 CO 0.15 0.00 -0.73 -1.13 -4.11 0.00 0.00 178.44 172.62 3g2w h ASN 38 N 0.00 0.00 0.50 0.17 -1.24 -1.42 -3.25 115.58 110.34 3g2w h ASN 38 Ca 0.12 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 3g2w h ASN 38 Cb 0.62 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3g2w h ASN 38 CO -0.00 0.01 -0.33 -0.08 -1.29 0.00 0.00 177.43 175.74 3g2w h GLU 39 N 0.00 -0.77 -6.02 6.67 4.57 -0.81 -3.46 114.58 114.77 3g2w h GLU 39 Ca -0.00 0.05 -0.59 0.00 -1.18 0.00 0.00 59.36 57.64 3g2w h GLU 39 Cb 1.01 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 3g2w h GLU 39 CO 0.00 -0.51 -0.50 -0.51 -1.18 0.00 0.00 179.01 176.30 3g2w s ASP 40 N -4.51 6.19 0.37 1.04 1.11 -1.24 -4.98 116.67 114.65 3g2w s ASP 40 Ca -0.17 0.17 0.17 0.00 0.18 0.00 0.00 52.55 52.89 3g2w s ASP 40 Cb 0.05 -1.84 1.08 0.00 1.07 0.00 0.00 42.92 43.27 3g2w s ASP 40 CO 0.63 0.12 1.72 -0.26 1.18 0.00 0.00 175.17 178.56 3g2w h PHE 41 N 2.70 0.79 -0.18 4.23 0.04 -1.88 -2.41 116.94 120.24 3g2w h PHE 41 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3g2w h PHE 41 Cb 1.18 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.11 3g2w h PHE 41 CO 0.58 -0.01 0.00 0.39 -0.60 0.00 0.00 178.31 178.67 3g2w n GLU 42 N -4.78 1.88 0.05 1.51 4.71 -1.26 -4.38 120.64 118.36 3g2w n GLU 42 Ca 0.28 -1.81 -0.11 0.00 -0.01 0.00 0.00 57.16 55.51 3g2w n GLU 42 Cb 0.93 -1.37 -0.05 0.00 -1.01 0.00 0.00 31.44 29.94 3g2w n GLU 42 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3g2w h GLY 43 N 3.46 -0.13 0.57 0.62 0.00 -1.54 -2.82 103.07 103.23 3g2w h GLY 43 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3g2w h GLY 43 CO 0.00 -0.12 -0.10 -2.55 0.00 0.00 0.00 176.54 173.77 3g2w h PRO 44 N -0.19 -0.10 -0.91 4.80 0.11 -1.76 0.40 132.00 134.35 3g2w h PRO 44 Ca 0.04 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.22 3g2w h PRO 44 Cb 0.25 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.32 3g2w h PRO 44 CO -0.12 -0.07 0.57 -1.35 -0.21 0.00 0.00 178.00 176.83 3g2w h PRO 45 N -0.11 1.03 0.10 1.05 0.11 -1.86 -1.95 132.00 130.36 3g2w h PRO 45 Ca 0.09 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3g2w h PRO 45 Cb 0.23 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3g2w h PRO 45 CO -0.20 0.68 -0.05 1.25 -0.21 0.00 0.00 178.00 179.47 3g2w h LEU 46 N 1.06 -0.11 -1.32 2.35 5.85 -1.12 -2.33 115.31 119.69 3g2w h LEU 46 Ca 0.39 -0.32 0.20 0.00 0.84 0.00 0.00 57.88 58.99 3g2w h LEU 46 Cb 0.14 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 3g2w h LEU 46 CO -0.16 0.28 0.61 0.00 -0.34 0.00 0.00 178.44 178.83 3g2w h ALA 47 N 0.34 2.01 0.05 1.25 0.00 -0.20 -0.07 119.26 122.64 3g2w h ALA 47 Ca -0.01 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 3g2w h ALA 47 Cb 0.42 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3g2w h ALA 47 CO 0.02 -0.33 -1.09 0.00 0.00 0.00 0.00 179.25 177.85 3g2w h THR 48 N 0.55 1.37 -0.54 0.00 1.03 -1.29 -2.46 112.91 111.57 3g2w h THR 48 Ca 0.51 -2.54 -0.01 0.00 -0.01 0.00 0.00 66.41 64.37 3g2w h THR 48 Cb 1.08 2.58 -0.02 0.00 -1.07 0.00 0.00 68.15 70.71 3g2w h THR 48 CO -0.25 0.76 0.28 -0.09 -0.01 0.00 0.00 175.52 176.21 3g2w h ARG 49 N 0.23 0.76 0.00 0.00 2.43 -0.75 -2.77 114.38 114.28 3g2w h ARG 49 Ca -0.12 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 3g2w h ARG 49 Cb 1.75 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 3g2w h ARG 49 CO 0.19 0.60 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.82 3g2w h LEU 50 N 0.72 0.00 0.03 3.80 3.38 -0.92 -3.10 115.31 119.22 3g2w h LEU 50 Ca 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 3g2w h LEU 50 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3g2w h LEU 50 CO -0.03 0.37 -1.07 -0.07 0.09 0.00 0.00 178.44 177.74 3g2w h LEU 51 N 0.00 0.12 -0.15 1.67 3.38 -1.35 -3.04 115.31 115.94 3g2w h LEU 51 Ca -0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3g2w h LEU 51 Cb 0.69 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3g2w h LEU 51 CO 0.05 1.10 -0.22 0.00 0.09 0.00 0.00 178.44 179.45 3g2w h ALA 52 N 0.89 0.23 -0.67 1.53 0.00 -1.43 -1.90 119.26 117.91 3g2w h ALA 52 Ca -0.04 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3g2w h ALA 52 Cb 1.83 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 3g2w h ALA 52 CO 0.15 0.18 0.37 1.25 0.00 0.00 0.00 179.25 181.20 3g2w h HIS 53 N 0.03 0.68 -0.04 0.00 -0.00 -1.60 -2.55 115.15 111.67 3g2w h HIS 53 Ca 0.01 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.28 3g2w h HIS 53 Cb 0.79 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 3g2w h HIS 53 CO 0.09 0.33 -0.56 0.87 -0.00 0.00 0.00 177.93 178.66 3g2w h LYS 54 N 0.69 0.12 0.00 5.26 1.79 -1.40 -3.01 116.57 120.01 3g2w h LYS 54 Ca 0.30 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.60 3g2w h LYS 54 Cb 0.19 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3g2w h LYS 54 CO -0.18 0.65 -0.48 0.82 -1.08 0.00 0.00 179.45 179.17 3g2w h ILE 55 N 0.09 0.93 -0.14 1.86 2.04 -1.04 -2.03 117.51 119.21 3g2w h ILE 55 Ca -0.00 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.86 3g2w h ILE 55 Cb 1.02 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3g2w h ILE 55 CO 0.08 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.70 3g2w n GLN 56 N -3.36 1.38 -1.78 2.37 6.02 -0.99 -4.74 117.38 116.28 3g2w n GLN 56 Ca 0.01 -0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 56.00 3g2w n GLN 56 Cb 0.65 -1.21 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 3g2w n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2w s SER 57 N -1.21 6.35 0.05 1.08 0.15 -0.76 -4.90 113.70 114.46 3g2w s SER 57 Ca 0.18 3.00 0.18 0.00 0.70 0.00 0.00 55.95 60.01 3g2w s SER 57 Cb 0.09 -2.65 0.75 0.00 -1.71 0.00 0.00 66.02 62.50 3g2w s SER 57 CO 0.14 -0.91 1.56 -0.81 1.20 0.00 0.00 173.24 174.42 3g2w n PRO 58 N 1.51 0.04 -3.60 5.44 -0.04 -1.26 -4.64 135.00 132.45 3g2w n PRO 58 Ca 0.05 0.26 -0.38 0.00 -0.04 0.00 0.00 63.50 63.39 3g2w n PRO 58 Cb 0.38 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 3g2w n PRO 58 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3g2w s GLN 59 N -3.06 3.96 0.13 0.54 -0.21 -1.26 -4.99 119.66 114.77 3g2w s GLN 59 Ca 0.07 -0.32 -0.08 0.00 0.02 0.00 0.00 55.36 55.05 3g2w s GLN 59 Cb 0.10 -3.64 -0.06 0.00 1.00 0.00 0.00 33.01 30.41 3g2w s GLN 59 CO 0.32 -0.16 1.37 1.49 -2.12 0.00 0.00 175.29 176.19 3g2w h GLU 60 N 8.29 0.66 -0.21 2.91 4.81 -1.99 -2.73 114.58 126.32 3g2w h GLU 60 Ca -0.35 -0.52 -0.16 0.00 -0.13 0.00 0.00 59.36 58.20 3g2w h GLU 60 Cb 1.19 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 3g2w h GLU 60 CO 0.56 1.14 -0.52 2.35 -0.73 0.00 0.00 179.01 181.81 3g2w h TRP 61 N 0.46 0.73 0.02 0.92 -0.00 -1.95 0.86 115.95 117.00 3g2w h TRP 61 Ca -0.04 -0.25 0.01 0.00 -0.00 0.00 0.00 58.89 58.62 3g2w h TRP 61 Cb 1.34 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 30.32 3g2w h TRP 61 CO 0.07 0.98 -0.36 1.49 -0.00 0.00 0.00 178.44 180.63 3g2w h GLU 62 N 0.46 -0.45 -1.00 2.65 4.81 -1.67 -0.43 114.58 118.95 3g2w h GLU 62 Ca 0.02 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.50 3g2w h GLU 62 Cb 1.06 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 3g2w h GLU 62 CO 0.10 -0.30 0.59 0.00 -0.73 0.00 0.00 179.01 178.68 3g2w h ALA 63 N -0.81 1.72 -0.09 2.92 0.00 -1.32 -1.27 119.26 120.40 3g2w h ALA 63 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3g2w h ALA 63 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3g2w h ALA 63 CO -0.23 -0.18 -0.18 0.82 0.00 0.00 0.00 179.25 179.48 3g2w h ILE 64 N 0.65 1.40 -0.19 0.00 1.08 -0.65 -2.38 117.51 117.42 3g2w h ILE 64 Ca 0.61 -1.48 -0.07 0.00 -0.39 0.00 0.00 64.86 63.54 3g2w h ILE 64 Cb 1.08 2.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 3g2w h ILE 64 CO -0.44 0.42 -0.18 1.56 -0.69 0.00 0.00 178.15 178.82 3g2w h GLN 65 N -0.17 0.33 -0.86 2.37 4.20 -0.95 -2.29 115.11 117.73 3g2w h GLN 65 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3g2w h GLN 65 Cb 0.77 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 3g2w h GLN 65 CO 0.04 0.50 0.53 0.00 -0.67 0.00 0.00 178.83 179.23 3g2w h ALA 66 N 1.51 1.10 0.02 3.87 0.00 -1.09 -2.12 119.26 122.55 3g2w h ALA 66 Ca 0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3g2w h ALA 66 Cb 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3g2w h ALA 66 CO 0.03 0.56 -0.96 -0.07 0.00 0.00 0.00 179.25 178.80 3g2w h LEU 67 N 1.19 0.41 -0.52 0.00 3.38 -0.94 -0.84 115.31 117.99 3g2w h LEU 67 Ca 0.31 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3g2w h LEU 67 Cb -0.06 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.47 3g2w h LEU 67 CO -0.06 1.17 -0.13 0.74 0.09 0.00 0.00 178.44 180.25 3g2w h THR 68 N 0.16 0.48 0.09 0.22 2.02 -1.37 0.37 112.91 114.87 3g2w h THR 68 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3g2w h THR 68 Cb 1.61 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3g2w h THR 68 CO 0.16 0.00 -0.04 0.58 0.37 0.00 0.00 175.52 176.59 3g2w h VAL 69 N -0.00 0.97 -0.66 3.16 2.07 -0.97 0.16 116.25 120.98 3g2w h VAL 69 Ca 0.25 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.67 3g2w h VAL 69 Cb 0.38 1.11 -0.12 0.00 -1.52 0.00 0.00 31.29 31.14 3g2w h VAL 69 CO -0.53 0.05 -0.34 0.25 0.02 0.00 0.00 177.57 177.02 3g2w h LEU 70 N -0.21 -1.19 -0.02 2.57 5.85 -1.06 -0.68 115.31 120.56 3g2w h LEU 70 Ca -0.01 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3g2w h LEU 70 Cb 0.18 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3g2w h LEU 70 CO 0.02 -0.30 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.65 3g2w h GLU 71 N -0.13 -0.15 -0.14 1.25 4.81 0.24 -2.19 114.58 118.27 3g2w h GLU 71 Ca 0.26 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3g2w h GLU 71 Cb 0.56 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 3g2w h GLU 71 CO -0.73 -0.10 -0.24 1.15 -0.73 0.00 0.00 179.01 178.36 3g2w h THR 72 N -0.15 0.43 -0.06 0.32 2.02 -0.77 -2.77 112.91 111.92 3g2w h THR 72 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 3g2w h THR 72 Cb 0.21 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3g2w h THR 72 CO -0.11 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.48 3g2w h MET 74 N 0.10 0.77 -0.08 0.00 2.07 -1.28 0.31 114.93 116.83 3g2w h MET 74 Ca 0.01 -0.13 -0.02 0.00 -2.07 0.00 0.00 59.70 57.49 3g2w h MET 74 Cb 0.59 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 30.18 3g2w h MET 74 CO 0.04 0.66 -0.04 0.87 1.07 0.00 0.00 176.91 179.52 3g2w h LYS 75 N 0.76 0.16 0.00 1.72 1.57 -1.20 -3.39 116.57 116.19 3g2w h LYS 75 Ca 0.18 -0.07 -0.37 0.00 -1.87 0.00 0.00 60.65 58.52 3g2w h LYS 75 Cb 0.20 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3g2w h LYS 75 CO -0.01 0.53 -2.35 -1.13 -0.57 0.00 0.00 179.45 175.91 3g2w n SER 76 N -4.76 0.40 -4.61 0.86 3.41 -0.95 -4.94 113.62 103.02 3g2w n SER 76 Ca -0.07 0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.26 3g2w n SER 76 Cb 0.26 0.68 0.14 0.00 -0.26 0.00 0.00 64.21 65.03 3g2w n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g2w n GLY 78 N -2.84 3.92 0.22 0.00 0.00 -1.26 -4.86 105.19 100.37 3g2w n GLY 78 Ca 0.09 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 3g2w n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g2w n LYS 79 N -0.19 -0.17 0.10 1.61 4.81 -1.26 -1.94 118.16 121.12 3g2w n LYS 79 Ca 0.00 0.86 -0.12 0.00 -0.87 0.00 0.00 58.31 58.17 3g2w n LYS 79 Cb 0.00 -1.27 -0.06 0.00 0.02 0.00 0.00 35.03 33.72 3g2w n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3g2w h ARG 80 N 0.00 -0.28 0.43 1.64 3.08 -1.99 0.90 114.38 118.16 3g2w h ARG 80 Ca 0.16 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3g2w h ARG 80 Cb 0.30 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3g2w h ARG 80 CO -0.55 -0.19 -0.50 0.35 -1.07 0.00 0.00 179.97 178.02 3g2w h PHE 81 N -0.29 -1.38 -1.15 3.04 3.57 -1.79 -2.73 116.94 116.21 3g2w h PHE 81 Ca 0.02 0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.86 3g2w h PHE 81 Cb 0.30 0.55 -0.10 0.00 2.79 0.00 0.00 35.95 39.49 3g2w h PHE 81 CO -0.15 -0.65 0.75 0.45 -2.23 0.00 0.00 178.31 176.48 3g2w h HIS 82 N -0.95 0.56 0.01 0.41 3.86 -1.04 -1.56 115.15 116.44 3g2w h HIS 82 Ca -0.05 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 58.97 3g2w h HIS 82 Cb 0.84 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 3g2w h HIS 82 CO -0.28 -0.04 -0.99 -0.44 0.86 0.00 0.00 177.93 177.04 3g2w h ASP 83 N 0.26 0.02 -0.14 2.45 3.45 -0.62 -1.10 116.42 120.74 3g2w h ASP 83 Ca 0.67 -0.02 -0.21 0.00 0.43 0.00 0.00 57.03 57.90 3g2w h ASP 83 Cb 1.93 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 40.71 3g2w h ASP 83 CO -0.32 1.00 -0.74 -0.33 -1.57 0.00 0.00 179.24 177.28 3g2w h GLU 84 N 0.00 0.76 -0.59 3.56 4.39 -1.05 -3.24 114.58 118.42 3g2w h GLU 84 Ca -0.02 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3g2w h GLU 84 Cb 1.75 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.50 3g2w h GLU 84 CO 0.13 1.23 0.38 0.28 -1.16 0.00 0.00 179.01 179.88 3g2w h VAL 85 N 0.48 1.16 -0.17 3.13 2.07 -1.25 -3.01 116.25 118.65 3g2w h VAL 85 Ca -0.05 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3g2w h VAL 85 Cb 1.38 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3g2w h VAL 85 CO 0.15 0.15 0.11 0.61 0.02 0.00 0.00 177.57 178.62 3g2w n GLY 86 N -1.24 2.42 3.84 2.17 0.00 -0.42 -4.18 105.19 107.77 3g2w n GLY 86 Ca 0.04 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3g2w n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2w s LYS 87 N -0.56 3.30 0.54 1.61 1.02 -1.14 -4.43 119.74 120.09 3g2w s LYS 87 Ca 0.10 -0.28 0.23 0.00 0.02 0.00 0.00 55.97 56.04 3g2w s LYS 87 Cb 0.08 -3.05 1.43 0.00 -0.52 0.00 0.00 37.83 35.77 3g2w s LYS 87 CO 0.02 0.72 2.10 0.74 -0.92 0.00 0.00 175.35 178.01 3g2w h PHE 88 N 4.60 0.00 -0.88 3.18 0.04 -1.89 0.29 116.94 122.28 3g2w h PHE 88 Ca -0.52 0.00 0.22 0.00 2.80 0.00 0.00 57.97 60.47 3g2w h PHE 88 Cb 1.21 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.23 3g2w h PHE 88 CO 0.70 0.00 0.37 -0.09 -0.60 0.00 0.00 178.31 178.69 3g2w h ARG 89 N 0.00 0.37 0.10 1.51 2.43 -1.93 -1.83 114.38 115.03 3g2w h ARG 89 Ca 0.10 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.93 3g2w h ARG 89 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3g2w h ARG 89 CO -0.00 0.25 -1.73 0.35 -1.51 0.00 0.00 179.97 177.33 3g2w h PHE 90 N 0.38 0.38 -0.52 2.20 3.57 -1.24 -3.40 116.94 118.31 3g2w h PHE 90 Ca 0.55 -0.28 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3g2w h PHE 90 Cb 1.04 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 3g2w h PHE 90 CO -0.15 1.68 0.15 -0.07 -2.23 0.00 0.00 178.31 177.68 3g2w h LEU 91 N -0.23 0.73 -0.85 0.59 4.07 -1.18 -2.70 115.31 115.73 3g2w h LEU 91 Ca -0.39 -0.12 0.05 0.00 0.08 0.00 0.00 57.88 57.51 3g2w h LEU 91 Cb 1.83 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 43.32 3g2w h LEU 91 CO 0.02 0.71 0.53 0.78 -1.08 0.00 0.00 178.44 179.40 3g2w h ASN 92 N 0.77 0.86 -0.91 -0.43 2.35 -1.55 0.16 115.58 116.83 3g2w h ASN 92 Ca 0.17 0.01 0.19 0.00 -0.55 0.00 0.00 56.30 56.12 3g2w h ASN 92 Cb 0.25 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.38 3g2w h ASN 92 CO -0.01 0.57 0.59 -0.33 -1.65 0.00 0.00 177.43 176.61 3g2w h GLU 93 N 1.00 0.46 -0.03 0.81 4.39 -1.69 -1.74 114.58 117.77 3g2w h GLU 93 Ca 0.36 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.78 3g2w h GLU 93 Cb 0.10 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3g2w h GLU 93 CO -0.15 0.30 -0.95 -0.07 -1.16 0.00 0.00 179.01 176.99 3g2w h LEU 94 N 0.47 0.79 -1.02 1.33 3.38 -0.99 -3.25 115.31 116.02 3g2w h LEU 94 Ca 0.48 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3g2w h LEU 94 Cb 1.09 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3g2w h LEU 94 CO -0.20 1.40 0.65 0.40 0.09 0.00 0.00 178.44 180.78 3g2w h ILE 95 N 0.37 1.12 -0.32 1.22 2.04 -1.20 -2.58 117.51 118.17 3g2w h ILE 95 Ca -0.10 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3g2w h ILE 95 Cb 1.59 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3g2w h ILE 95 CO 0.18 0.22 0.16 0.11 0.00 0.00 0.00 178.15 178.82 3g2w h LYS 96 N 1.21 0.43 -0.03 2.37 1.57 -1.35 -1.17 116.57 119.60 3g2w h LYS 96 Ca 0.42 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 59.00 3g2w h LYS 96 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3g2w h LYS 96 CO -0.15 0.34 -0.69 0.28 -0.57 0.00 0.00 179.45 178.65 3g2w h VAL 97 N 0.44 1.44 0.00 0.50 2.07 -1.50 0.19 116.25 119.40 3g2w h VAL 97 Ca 0.11 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3g2w h VAL 97 Cb 0.04 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3g2w h VAL 97 CO -0.02 0.65 -1.27 1.33 0.02 0.00 0.00 177.57 178.29 3g2w n VAL 98 N -3.78 0.08 -2.93 2.57 0.24 -0.99 -3.22 118.33 110.30 3g2w n VAL 98 Ca -0.02 -0.24 -0.41 0.00 -2.04 0.00 0.00 64.34 61.63 3g2w n VAL 98 Cb 0.68 0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 33.38 3g2w n VAL 98 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3g2w s SER 99 N -3.83 7.04 0.34 -1.34 0.01 -0.48 -4.68 113.70 110.76 3g2w s SER 99 Ca 0.02 1.26 0.07 0.00 1.31 0.00 0.00 55.95 58.61 3g2w s SER 99 Cb 0.15 -2.46 0.74 0.00 0.21 0.00 0.00 66.02 64.66 3g2w s SER 99 CO 0.85 -0.25 1.88 1.55 0.41 0.00 0.00 173.24 177.68 3g2w h PRO 100 N 6.99 0.76 -0.57 12.44 0.13 -1.88 1.18 132.00 151.05 3g2w h PRO 100 Ca -0.37 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 3g2w h PRO 100 Cb 1.18 -0.17 -0.11 0.00 0.13 0.00 0.00 31.00 32.03 3g2w h PRO 100 CO 0.78 0.50 -0.17 0.87 -0.23 0.00 0.00 178.00 179.75 3g2w h LYS 101 N 0.78 -0.04 0.00 0.86 6.56 -1.93 -3.38 116.57 119.42 3g2w h LYS 101 Ca 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 3g2w h LYS 101 Cb 0.58 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 3g2w h LYS 101 CO -0.20 -0.02 0.00 0.66 -2.06 0.00 0.00 179.45 177.83 3g2w n TYR 102 N -5.41 0.00 1.04 -1.35 4.02 -0.34 -4.87 117.16 110.25 3g2w n TYR 102 Ca 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.08 3g2w n TYR 102 Cb 0.31 0.00 0.61 0.00 -0.02 0.00 0.00 39.34 40.24 3g2w n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2w n LEU 103 N 0.00 0.00 -0.11 7.72 4.77 0.68 -4.22 117.00 125.84 3g2w n LEU 103 Ca 0.00 0.43 0.27 0.00 -0.03 0.00 0.00 56.01 56.68 3g2w n LEU 103 Cb 0.00 -0.43 0.71 0.00 -2.33 0.00 0.00 43.42 41.37 3g2w n LEU 103 CO 0.00 -0.04 1.24 1.23 -1.33 0.00 0.00 177.39 178.50 3g2w h GLY 104 N 4.57 0.00 1.44 -0.72 0.00 0.14 -2.58 103.07 105.91 3g2w h GLY 104 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3g2w h GLY 104 CO 0.00 0.00 -1.39 1.76 0.00 0.00 0.00 176.54 176.91 3g2w h SER 105 N 0.00 0.02 -0.28 0.19 0.02 -1.74 -3.20 113.55 108.56 3g2w h SER 105 Ca 0.37 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.12 3g2w h SER 105 Cb 1.67 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 64.10 3g2w h SER 105 CO -0.00 1.02 -0.31 -2.11 -1.14 0.00 0.00 176.83 174.29 3g2w n ARG 106 N -3.20 1.96 -4.15 3.45 1.85 -0.99 -4.96 116.66 110.62 3g2w n ARG 106 Ca -0.10 -3.36 -0.35 0.00 -1.00 0.00 0.00 57.85 53.05 3g2w n ARG 106 Cb 1.00 -1.81 -0.10 0.00 -1.05 0.00 0.00 32.46 30.51 3g2w n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g2w s THR 107 N -3.45 4.60 0.68 8.89 2.01 -1.11 -5.04 115.64 122.21 3g2w s THR 107 Ca 0.43 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 3g2w s THR 107 Cb 0.40 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 3g2w s THR 107 CO -0.03 0.52 1.04 -1.54 -0.69 0.00 0.00 174.62 173.93 3g2w n SER 108 N 2.98 0.89 -0.16 3.53 3.41 -1.26 -4.90 113.62 118.11 3g2w n SER 108 Ca -0.18 0.74 0.02 0.00 -0.26 0.00 0.00 58.87 59.19 3g2w n SER 108 Cb 0.53 -1.43 0.30 0.00 -0.26 0.00 0.00 64.21 63.35 3g2w n SER 108 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3g2w h GLU 109 N 0.09 0.85 -0.61 4.33 4.39 -1.99 -2.86 114.58 118.78 3g2w h GLU 109 Ca -0.48 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.27 3g2w h GLU 109 Cb 1.34 -0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 3g2w h GLU 109 CO 0.49 0.56 -0.33 -0.22 -1.16 0.00 0.00 179.01 178.35 3g2w h LYS 110 N 0.87 -0.15 -0.34 2.33 3.64 -1.99 0.20 116.57 121.14 3g2w h LYS 110 Ca 0.25 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.47 3g2w h LYS 110 Cb -0.06 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3g2w h LYS 110 CO -0.06 -0.10 -0.45 0.28 -2.27 0.00 0.00 179.45 176.85 3g2w h VAL 111 N -0.15 1.27 -0.15 2.00 2.07 -1.88 -0.96 116.25 118.45 3g2w h VAL 111 Ca 0.24 -1.63 -0.22 0.00 0.82 0.00 0.00 66.70 65.91 3g2w h VAL 111 Cb 0.55 1.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3g2w h VAL 111 CO -0.69 0.54 -0.75 0.11 0.02 0.00 0.00 177.57 176.80 3g2w h LYS 112 N 0.72 0.77 -0.77 1.57 1.57 -1.22 -1.16 116.57 118.05 3g2w h LYS 112 Ca 0.04 -0.63 -0.03 0.00 -1.87 0.00 0.00 60.65 58.17 3g2w h LYS 112 Cb 1.05 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3g2w h LYS 112 CO 0.11 1.24 0.38 -0.91 -0.57 0.00 0.00 179.45 179.69 3g2w h ASN 113 N 0.50 0.99 -0.35 0.86 -0.26 -0.60 -1.73 115.58 115.00 3g2w h ASN 113 Ca -0.05 -0.13 0.05 0.00 -0.56 0.00 0.00 56.30 55.62 3g2w h ASN 113 Cb 1.38 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 38.34 3g2w h ASN 113 CO 0.15 0.84 0.06 0.50 -1.06 0.00 0.00 177.43 177.93 3g2w h LYS 114 N 1.08 0.17 -0.86 0.81 1.63 -0.78 -1.82 116.57 116.81 3g2w h LYS 114 Ca 0.26 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3g2w h LYS 114 Cb 0.10 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3g2w h LYS 114 CO -0.04 0.12 0.55 0.82 -3.45 0.00 0.00 179.45 177.45 3g2w h ILE 115 N 0.18 1.23 -0.33 2.00 2.04 -0.74 -1.82 117.51 120.07 3g2w h ILE 115 Ca 0.17 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 3g2w h ILE 115 Cb 0.19 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3g2w h ILE 115 CO -0.22 0.23 -0.35 -0.07 0.00 0.00 0.00 178.15 177.74 3g2w h LEU 116 N 1.17 0.79 -0.21 1.44 3.38 -1.15 0.12 115.31 120.85 3g2w h LEU 116 Ca 0.31 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3g2w h LEU 116 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3g2w h LEU 116 CO -0.06 1.06 0.03 -0.08 0.09 0.00 0.00 178.44 179.47 3g2w h GLU 117 N 0.63 0.35 -0.22 1.13 4.81 -0.85 -1.36 114.58 119.06 3g2w h GLU 117 Ca 0.06 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3g2w h GLU 117 Cb 0.88 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3g2w h GLU 117 CO 0.08 0.51 0.05 -0.07 -0.73 0.00 0.00 179.01 178.85 3g2w h LEU 118 N 0.14 0.04 -0.64 1.64 3.38 -1.21 -1.50 115.31 117.16 3g2w h LEU 118 Ca 0.06 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.19 3g2w h LEU 118 Cb 0.33 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 3g2w h LEU 118 CO 0.01 0.05 0.08 -0.07 0.09 0.00 0.00 178.44 178.60 3g2w h LEU 119 N 0.14 -0.12 0.06 1.67 3.38 -0.92 -1.93 115.31 117.60 3g2w h LEU 119 Ca 0.10 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3g2w h LEU 119 Cb 0.08 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g2w h LEU 119 CO -0.12 -0.06 -0.03 0.22 0.09 0.00 0.00 178.44 178.54 3g2w h TYR 120 N 0.20 -0.08 -0.92 1.13 3.20 -0.88 -2.64 116.97 116.97 3g2w h TYR 120 Ca 0.34 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.24 3g2w h TYR 120 Cb 0.55 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 3g2w h TYR 120 CO -0.30 0.16 0.61 0.66 -1.64 0.00 0.00 178.16 177.64 3g2w h SER 121 N -0.31 1.00 0.86 -2.11 4.64 -1.13 -1.24 113.55 115.26 3g2w h SER 121 Ca -0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3g2w h SER 121 Cb 0.27 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3g2w h SER 121 CO 0.01 0.69 -0.05 -0.50 -0.87 0.00 0.00 176.83 176.12 3g2w h TRP 122 N 1.17 0.00 0.00 4.77 6.55 -1.25 1.09 115.95 128.29 3g2w h TRP 122 Ca 0.36 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 60.08 3g2w h TRP 122 Cb -0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 3g2w h TRP 122 CO -0.00 0.05 -0.59 1.79 -1.05 0.00 0.00 178.44 178.63 3g2w h THR 123 N 0.00 1.05 0.00 1.49 1.35 -0.87 0.72 112.91 116.66 3g2w h THR 123 Ca -0.00 -2.39 -0.18 0.00 -0.55 0.00 0.00 66.41 63.29 3g2w h THR 123 Cb 0.49 2.45 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 3g2w h THR 123 CO 0.01 0.58 -0.99 0.58 -0.25 0.00 0.00 175.52 175.45 3g2w h VAL 124 N 0.00 1.09 -0.74 6.82 2.07 -1.03 -3.38 116.25 121.08 3g2w h VAL 124 Ca -0.01 -2.20 0.01 0.00 0.82 0.00 0.00 66.70 65.32 3g2w h VAL 124 Cb 1.41 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 33.58 3g2w h VAL 124 CO 0.08 0.37 0.49 1.23 0.02 0.00 0.00 177.57 179.76 3g2w h GLY 125 N -1.00 1.05 -6.62 2.17 0.00 0.11 -3.36 103.07 95.43 3g2w h GLY 125 Ca -0.27 -0.38 -0.61 0.00 0.00 0.00 0.00 47.33 46.06 3g2w h GLY 125 CO -0.16 0.37 -0.56 1.04 0.00 0.00 0.00 176.54 177.23 3g2w n LEU 126 N -4.58 3.49 0.32 3.11 4.77 0.25 -4.95 117.00 119.41 3g2w n LEU 126 Ca 0.07 -5.34 0.19 0.00 -0.03 0.00 0.00 56.01 50.91 3g2w n LEU 126 Cb 0.03 -0.73 1.06 0.00 -2.33 0.00 0.00 43.42 41.45 3g2w n LEU 126 CO 0.35 1.91 1.14 -0.65 -1.33 0.00 0.00 177.39 178.82 3g2w h PRO 127 N 4.75 0.00 0.00 3.23 0.11 -1.74 -2.49 132.00 135.86 3g2w h PRO 127 Ca 0.18 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.10 3g2w h PRO 127 Cb 0.70 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 3g2w h PRO 127 CO 0.79 0.01 -1.24 0.93 -0.21 0.00 0.00 178.00 178.28 3g2w h GLU 128 N 0.00 0.00 -4.87 1.05 3.07 -1.92 -3.38 114.58 108.54 3g2w h GLU 128 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 3g2w h GLU 128 Cb 0.05 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.04 3g2w h GLU 128 CO 0.00 0.47 1.53 0.39 -1.40 0.00 0.00 179.01 180.00 3g2w n GLU 129 N -3.05 0.73 0.28 2.33 -0.58 -0.94 -4.76 120.64 114.65 3g2w n GLU 129 Ca -0.08 -1.54 0.17 0.00 -0.42 0.00 0.00 57.16 55.29 3g2w n GLU 129 Cb 0.88 -2.94 0.82 0.00 -0.57 0.00 0.00 31.44 29.63 3g2w n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3g2w h VAL 130 N 5.11 0.25 0.00 2.62 -1.51 -1.84 -1.67 116.25 119.21 3g2w h VAL 130 Ca 0.29 -0.43 -0.10 0.00 -1.23 0.00 0.00 66.70 65.23 3g2w h VAL 130 Cb 0.75 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 3g2w h VAL 130 CO 1.82 0.06 -0.49 0.11 -1.23 0.00 0.00 177.57 177.84 3g2w h LYS 131 N 0.00 0.00 -0.19 5.19 1.57 -1.86 -2.40 116.57 118.88 3g2w h LYS 131 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3g2w h LYS 131 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3g2w h LYS 131 CO 0.01 0.49 0.02 0.82 -0.57 0.00 0.00 179.45 180.21 3g2w h ILE 132 N 0.00 1.24 -0.53 1.86 2.04 -1.55 -0.33 117.51 120.24 3g2w h ILE 132 Ca -0.00 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.18 3g2w h ILE 132 Cb 0.89 1.39 -0.09 0.00 -0.74 0.00 0.00 36.82 38.27 3g2w h ILE 132 CO 0.06 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.45 3g2w h ALA 133 N 0.81 0.51 -0.37 1.87 0.00 -1.48 -1.36 119.26 119.23 3g2w h ALA 133 Ca 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3g2w h ALA 133 Cb 0.34 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3g2w h ALA 133 CO 0.01 -0.39 0.11 1.49 0.00 0.00 0.00 179.25 180.47 3g2w h GLU 134 N 0.12 0.58 -0.36 0.00 4.81 -1.22 0.80 114.58 119.32 3g2w h GLU 134 Ca 0.27 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3g2w h GLU 134 Cb 0.41 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 3g2w h GLU 134 CO -0.45 0.60 -0.01 0.00 -0.73 0.00 0.00 179.01 178.43 3g2w h ALA 135 N 0.95 0.31 -0.37 2.92 0.00 -0.69 -1.10 119.26 121.29 3g2w h ALA 135 Ca 0.12 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3g2w h ALA 135 Cb 0.27 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3g2w h ALA 135 CO -0.00 -0.41 -0.30 -0.92 0.00 0.00 0.00 179.25 177.62 3g2w h TYR 136 N 0.08 1.01 -0.77 0.00 3.20 -0.70 -1.66 116.97 118.13 3g2w h TYR 136 Ca 0.17 -0.29 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 3g2w h TYR 136 Cb 0.25 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3g2w h TYR 136 CO -0.26 1.08 0.46 0.37 -1.64 0.00 0.00 178.16 178.16 3g2w h GLN 137 N 0.65 1.05 -0.23 1.82 5.75 -0.83 0.13 115.11 123.45 3g2w h GLN 137 Ca 0.07 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3g2w h GLN 137 Cb 0.88 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 3g2w h GLN 137 CO 0.08 0.75 0.13 1.98 -2.65 0.00 0.00 178.83 179.12 3g2w h MET 138 N 1.07 0.31 -0.29 1.69 4.05 -0.67 0.25 114.93 121.35 3g2w h MET 138 Ca 0.28 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.66 3g2w h MET 138 Cb -0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 3g2w h MET 138 CO -0.05 0.26 0.17 -0.07 0.23 0.00 0.00 176.91 177.45 3g2w h LEU 139 N 0.27 0.36 -0.35 3.39 3.38 -0.87 -2.02 115.31 119.48 3g2w h LEU 139 Ca 0.08 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3g2w h LEU 139 Cb 0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3g2w h LEU 139 CO -0.01 0.33 -0.03 0.50 0.09 0.00 0.00 178.44 179.32 3g2w h LYS 140 N 0.36 0.06 0.00 1.13 3.64 -0.45 -1.59 116.57 119.73 3g2w h LYS 140 Ca 0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3g2w h LYS 140 Cb 0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3g2w h LYS 140 CO -0.02 0.04 0.00 -0.22 -2.27 0.00 0.00 179.45 176.99 3g2w h LYS 141 N 0.07 0.00 -0.00 1.90 3.64 -0.40 -2.34 116.57 119.44 3g2w h LYS 141 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3g2w h LYS 141 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3g2w h LYS 141 CO -0.31 0.00 -0.55 0.94 -2.27 0.00 0.00 179.45 177.26 3g2w n GLN 142 N -2.92 0.10 -0.07 1.90 7.27 -0.73 -4.97 117.38 117.96 3g2w n GLN 142 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3g2w n GLN 142 Cb 0.35 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.50 3g2w n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3g2w n GLY 143 N 1.48 0.50 0.15 1.69 0.00 -0.68 -4.97 105.19 103.37 3g2w n GLY 143 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3g2w n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g2w h ILE 144 N 0.00 0.37 0.00 -0.61 2.04 -1.61 -3.49 117.51 114.20 3g2w h ILE 144 Ca 0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3g2w h ILE 144 Cb 0.00 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3g2w h ILE 144 CO 0.00 0.10 0.00 0.52 0.00 0.00 0.00 178.15 178.77