#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8b s LEU 10 N 0.00 4.42 1.06 0.99 1.43 -1.26 -4.90 118.68 120.42 3g8b s LEU 10 Ca 0.00 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.33 3g8b s LEU 10 Cb 0.00 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.83 3g8b s LEU 10 CO 0.00 -0.50 1.13 -0.94 0.23 0.00 0.00 176.35 176.28 3g8b s SER 11 N 0.25 2.19 0.23 2.29 1.04 -1.26 -4.77 113.70 113.68 3g8b s SER 11 Ca 0.56 0.82 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 3g8b s SER 11 Cb -0.36 -1.24 0.21 0.00 0.10 0.00 0.00 66.02 64.73 3g8b s SER 11 CO 0.39 -3.36 1.91 -0.33 0.98 0.00 0.00 173.24 172.83 3g8b h GLU 12 N -2.05 1.18 -0.62 4.02 5.08 -1.99 -0.98 114.58 119.21 3g8b h GLU 12 Ca -0.49 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 57.73 3g8b h GLU 12 Cb 1.31 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3g8b h GLU 12 CO 0.48 0.78 0.12 -0.09 -1.00 0.00 0.00 179.01 179.30 3g8b h ARG 13 N 1.21 1.01 -0.66 2.33 2.43 -1.99 -1.99 114.38 116.72 3g8b h ARG 13 Ca 0.33 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3g8b h ARG 13 Cb -0.14 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 3g8b h ARG 13 CO -0.07 0.94 0.41 0.78 -1.51 0.00 0.00 179.97 180.52 3g8b h GLY 14 N 0.92 0.94 1.03 2.80 0.00 -1.77 -0.85 103.07 106.14 3g8b h GLY 14 Ca 0.19 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3g8b h GLY 14 CO 0.01 0.36 0.30 3.21 0.00 0.00 0.00 176.54 180.42 3g8b h ARG 15 N 0.89 1.11 -0.58 4.80 3.08 -1.05 -2.01 114.38 120.63 3g8b h ARG 15 Ca 0.24 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3g8b h ARG 15 Cb -0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 3g8b h ARG 15 CO -0.05 0.91 -0.01 0.00 -1.07 0.00 0.00 179.97 179.76 3g8b h ALA 16 N 1.15 0.89 -0.05 0.04 0.00 -0.92 0.20 119.26 120.57 3g8b h ALA 16 Ca 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g8b h ALA 16 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g8b h ALA 16 CO -0.02 0.66 0.02 -0.07 0.00 0.00 0.00 179.25 179.84 3g8b h LEU 17 N 0.93 0.06 -0.41 0.00 3.38 -0.98 0.17 115.31 118.46 3g8b h LEU 17 Ca 0.17 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3g8b h LEU 17 Cb 0.55 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3g8b h LEU 17 CO 0.03 0.16 0.21 0.25 0.09 0.00 0.00 178.44 179.18 3g8b h LEU 18 N -0.05 0.31 0.21 1.67 5.85 -1.20 0.15 115.31 122.25 3g8b h LEU 18 Ca 0.02 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3g8b h LEU 18 Cb 0.12 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3g8b h LEU 18 CO -0.00 0.23 -0.13 0.25 -0.34 0.00 0.00 178.44 178.44 3g8b h LEU 19 N 0.43 -0.33 -0.55 2.25 7.12 -0.81 0.75 115.31 124.17 3g8b h LEU 19 Ca 0.17 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.20 3g8b h LEU 19 Cb 0.07 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.28 3g8b h LEU 19 CO -0.12 -0.21 0.33 -0.08 -0.13 0.00 0.00 178.44 178.23 3g8b h GLU 20 N -0.33 0.75 -0.71 1.25 4.81 -0.75 -2.04 114.58 117.55 3g8b h GLU 20 Ca -0.02 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3g8b h GLU 20 Cb 0.28 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3g8b h GLU 20 CO 0.02 0.54 0.42 0.78 -0.73 0.00 0.00 179.01 180.05 3g8b h GLY 21 N 0.74 1.04 0.77 1.92 0.00 -0.54 -2.57 103.07 104.43 3g8b h GLY 21 Ca 0.20 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.12 3g8b h GLY 21 CO -0.04 0.42 0.22 -1.33 0.00 0.00 0.00 176.54 175.82 3g8b h GLY 22 N 0.97 0.62 0.62 4.60 0.00 -0.48 -2.40 103.07 107.01 3g8b h GLY 22 Ca 0.26 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.50 3g8b h GLY 22 CO -0.05 0.11 0.46 0.50 0.00 0.00 0.00 176.54 177.56 3g8b h LYS 23 N 0.45 0.78 0.00 4.80 6.56 -1.08 0.20 116.57 128.29 3g8b h LYS 23 Ca 0.19 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.72 3g8b h LYS 23 Cb 0.10 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.58 3g8b h LYS 23 CO -0.14 0.52 -0.08 0.00 -2.06 0.00 0.00 179.45 177.69 3g8b h ALA 24 N 1.41 1.34 -0.01 3.86 0.00 -1.06 0.75 119.26 125.55 3g8b h ALA 24 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3g8b h ALA 24 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3g8b h ALA 24 CO -0.21 0.10 -0.18 1.28 0.00 0.00 0.00 179.25 180.25 3g8b n LEU 25 N -3.67 1.19 0.00 0.00 4.77 -0.14 -4.93 117.00 114.22 3g8b n LEU 25 Ca -0.02 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3g8b n LEU 25 Cb 0.19 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3g8b n LEU 25 CO 0.29 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3g8b n GLY 26 N 1.29 0.57 3.54 -0.72 0.00 0.26 -4.68 105.19 105.44 3g8b n GLY 26 Ca 0.14 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3g8b n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g8b s LEU 27 N 0.00 2.90 -0.57 0.99 1.43 0.51 -4.97 118.68 118.97 3g8b s LEU 27 Ca 0.00 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 3g8b s LEU 27 Cb 0.00 -1.72 0.15 0.00 0.03 0.00 0.00 46.19 44.65 3g8b s LEU 27 CO 0.00 0.18 0.46 -0.62 0.23 0.00 0.00 176.35 176.60 3g8b s ASP 28 N -2.18 5.90 0.00 2.29 2.15 -1.26 -2.80 116.67 120.77 3g8b s ASP 28 Ca 0.20 -2.20 0.17 0.00 0.43 0.00 0.00 52.55 51.15 3g8b s ASP 28 Cb -0.11 -2.05 0.57 0.00 -0.30 0.00 0.00 42.92 41.03 3g8b s ASP 28 CO 0.12 -0.64 1.43 0.18 -0.17 0.00 0.00 175.17 176.09 3g8b n LEU 29 N 4.55 1.87 -0.18 -1.34 4.77 -1.26 -4.32 117.00 121.08 3g8b n LEU 29 Ca -0.02 -0.85 -0.05 0.00 -0.03 0.00 0.00 56.01 55.06 3g8b n LEU 29 Cb 0.41 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3g8b n LEU 29 CO 0.41 0.43 1.06 0.50 -1.33 0.00 0.00 177.39 178.46 3g8b h LYS 30 N 2.29 0.60 0.00 3.23 3.11 -1.94 -0.41 116.57 123.45 3g8b h LYS 30 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 3g8b h LYS 30 Cb 0.51 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 3g8b h LYS 30 CO 0.00 0.40 0.00 -2.30 -2.81 0.00 0.00 179.45 174.74 3g8b n PRO 31 N -4.80 0.07 -0.01 1.90 -0.02 -1.26 -3.04 135.00 127.84 3g8b n PRO 31 Ca 0.05 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 3g8b n PRO 31 Cb 0.10 -1.64 0.06 0.00 -0.02 0.00 0.00 33.50 31.99 3g8b n PRO 31 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g8b n HIS 32 N -1.78 0.03 -0.22 6.00 8.25 -0.26 -4.63 115.22 122.61 3g8b n HIS 32 Ca 0.03 -0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3g8b n HIS 32 Cb 0.19 -0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.42 3g8b n HIS 32 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3g8b h LEU 33 N 2.34 0.23 -0.34 2.41 4.07 -1.21 -2.14 115.31 120.66 3g8b h LEU 33 Ca 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 3g8b h LEU 33 Cb 0.52 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 3g8b h LEU 33 CO 0.00 0.12 0.13 -0.08 -1.08 0.00 0.00 178.44 177.53 3g8b h GLU 34 N 0.41 0.51 -0.51 1.13 4.81 -1.83 -0.39 114.58 118.71 3g8b h GLU 34 Ca 0.34 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3g8b h GLU 34 Cb 0.45 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3g8b h GLU 34 CO -0.34 0.52 0.32 0.00 -0.73 0.00 0.00 179.01 178.78 3g8b h ALA 35 N 0.97 0.64 -0.24 2.92 0.00 -1.79 0.93 119.26 122.70 3g8b h ALA 35 Ca 0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3g8b h ALA 35 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g8b h ALA 35 CO -0.01 0.05 -0.27 0.74 0.00 0.00 0.00 179.25 179.77 3g8b h PHE 36 N 0.65 0.52 -0.62 0.00 0.04 -1.26 -0.22 116.94 116.05 3g8b h PHE 36 Ca 0.19 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 3g8b h PHE 36 Cb -0.04 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 3g8b h PHE 36 CO -0.05 0.69 0.03 1.03 -0.60 0.00 0.00 178.31 179.41 3g8b h SER 37 N 0.40 1.03 -0.45 2.17 0.87 -0.48 -0.69 113.55 116.41 3g8b h SER 37 Ca 0.06 -0.28 -0.13 0.00 -1.23 0.00 0.00 61.79 60.21 3g8b h SER 37 Cb 0.68 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3g8b h SER 37 CO 0.05 1.07 -0.23 -0.09 -0.53 0.00 0.00 176.83 177.10 3g8b h ARG 38 N 0.98 0.95 -0.51 2.24 2.43 -0.44 -1.92 114.38 118.10 3g8b h ARG 38 Ca 0.18 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 3g8b h ARG 38 Cb 0.52 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3g8b h ARG 38 CO 0.03 1.08 0.22 1.25 -1.51 0.00 0.00 179.97 181.03 3g8b h LEU 39 N 0.78 0.70 -0.97 3.80 5.85 -0.89 -2.00 115.31 122.58 3g8b h LEU 39 Ca 0.10 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3g8b h LEU 39 Cb 0.80 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3g8b h LEU 39 CO 0.07 0.67 0.64 0.22 -0.34 0.00 0.00 178.44 179.69 3g8b h TYR 40 N 0.69 1.20 -0.44 1.25 3.20 -0.95 -1.18 116.97 120.74 3g8b h TYR 40 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3g8b h TYR 40 Cb 0.18 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 3g8b h TYR 40 CO 0.00 0.73 0.25 0.00 -1.64 0.00 0.00 178.16 177.50 3g8b h ALA 41 N 1.37 0.57 -0.61 1.82 0.00 -1.07 -0.78 119.26 120.55 3g8b h ALA 41 Ca 0.37 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3g8b h ALA 41 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3g8b h ALA 41 CO -0.10 0.08 0.32 -0.07 0.00 0.00 0.00 179.25 179.49 3g8b h LEU 42 N 0.58 0.45 -0.64 0.00 3.38 -0.70 0.86 115.31 119.25 3g8b h LEU 42 Ca 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3g8b h LEU 42 Cb 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3g8b h LEU 42 CO -0.03 0.29 0.35 -0.07 0.09 0.00 0.00 178.44 179.08 3g8b h LEU 43 N 0.59 0.79 0.09 1.67 3.38 -0.87 -1.26 115.31 119.70 3g8b h LEU 43 Ca 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3g8b h LEU 43 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3g8b h LEU 43 CO -0.19 0.65 -0.08 1.56 0.09 0.00 0.00 178.44 180.47 3g8b h GLN 44 N 0.87 -0.17 0.10 1.13 4.20 -0.41 -0.80 115.11 120.02 3g8b h GLN 44 Ca 0.22 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.97 3g8b h GLN 44 Cb 0.03 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3g8b h GLN 44 CO -0.04 -0.11 -0.30 1.49 -0.67 0.00 0.00 178.83 179.19 3g8b h GLU 45 N -0.18 -0.49 -0.20 1.46 4.81 -0.62 -0.69 114.58 118.66 3g8b h GLU 45 Ca -0.00 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3g8b h GLU 45 Cb 0.16 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3g8b h GLU 45 CO -0.01 -0.33 0.05 0.00 -0.73 0.00 0.00 179.01 177.99 3g8b h ALA 46 N 0.18 0.21 -0.25 2.92 0.00 -1.18 -2.62 119.26 118.52 3g8b h ALA 46 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g8b h ALA 46 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3g8b h ALA 46 CO -0.19 -0.38 0.05 0.77 0.00 0.00 0.00 179.25 179.50 3g8b h SER 47 N 0.14 0.33 -0.46 0.00 0.02 -0.92 -2.81 113.55 109.84 3g8b h SER 47 Ca 0.09 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3g8b h SER 47 Cb 0.07 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3g8b h SER 47 CO -0.11 0.35 0.31 1.23 -1.14 0.00 0.00 176.83 177.47 3g8b h GLY 48 N 0.59 0.51 1.00 -3.77 0.00 -0.72 -2.73 103.07 97.94 3g8b h GLY 48 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3g8b h GLY 48 CO -0.00 0.14 0.25 0.50 0.00 0.00 0.00 176.54 177.42 3g8b h LYS 49 N 0.42 0.51 -6.63 4.80 1.79 -1.54 -3.42 116.57 112.50 3g8b h LYS 49 Ca 0.20 -0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 58.10 3g8b h LYS 49 Cb 0.25 -0.11 0.03 0.00 -1.58 0.00 0.00 32.23 30.82 3g8b h LYS 49 CO -0.05 0.35 0.70 0.08 -1.08 0.00 0.00 179.45 179.45 3g8b s VAL 50 N -6.11 3.17 -0.10 0.50 1.01 -1.03 -4.95 120.40 112.89 3g8b s VAL 50 Ca -0.13 0.91 0.16 0.00 0.00 0.00 0.00 61.98 62.91 3g8b s VAL 50 Cb 0.10 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 3g8b s VAL 50 CO 0.72 0.11 0.84 0.78 0.00 0.00 0.00 175.10 177.55 3g8b h ASN 51 N 5.98 0.00 1.11 3.32 -0.26 -1.86 -3.36 115.58 120.51 3g8b h ASN 51 Ca -0.44 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.22 3g8b h ASN 51 Cb 1.21 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 3g8b h ASN 51 CO 0.82 0.67 -0.94 -0.07 -1.06 0.00 0.00 177.43 176.84 3g8b h LEU 52 N 0.00 0.00 -9.05 1.61 3.38 -1.96 -3.47 115.31 105.82 3g8b h LEU 52 Ca -0.17 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.30 3g8b h LEU 52 Cb 1.66 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.27 3g8b h LEU 52 CO 0.06 0.33 -0.71 0.42 0.09 0.00 0.00 178.44 178.62 3g8b s THR 53 N -3.09 1.84 0.04 0.22 -4.23 -1.26 -5.16 115.64 103.99 3g8b s THR 53 Ca 0.00 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.29 3g8b s THR 53 Cb 0.08 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 3g8b s THR 53 CO 0.77 -0.44 -0.02 0.00 -0.54 0.00 0.00 174.62 174.40 3g8b s ALA 54 N -2.90 0.27 0.54 3.99 0.00 -1.26 -4.72 121.76 117.68 3g8b s ALA 54 Ca 0.27 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 3g8b s ALA 54 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 3g8b s ALA 54 CO 0.10 -0.27 1.14 -0.11 0.00 0.00 0.00 175.76 176.62 3g8b n LEU 55 N 0.85 4.27 -4.77 0.00 0.00 -1.26 -4.97 117.00 111.13 3g8b n LEU 55 Ca -0.19 0.92 -0.30 0.00 0.00 0.00 0.00 56.01 56.44 3g8b n LEU 55 Cb 0.58 -1.46 0.11 0.00 0.00 0.00 0.00 43.42 42.65 3g8b n LEU 55 CO 0.24 -1.24 0.69 -0.13 0.00 0.00 0.00 177.39 176.95 3g8b s ARG 56 N -2.67 1.82 0.77 1.96 0.52 -1.26 -4.97 118.95 115.11 3g8b s ARG 56 Ca 0.72 0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 56.57 3g8b s ARG 56 Cb -0.44 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 3g8b s ARG 56 CO 0.50 -1.84 0.63 0.41 0.02 0.00 0.00 175.30 175.02 3g8b n GLY 57 N -1.59 -1.32 0.18 -3.53 0.00 -1.26 -4.63 105.19 93.03 3g8b n GLY 57 Ca 0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 3g8b n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g8b h GLU 58 N -0.59 0.14 -0.88 1.61 4.81 -1.99 -0.30 114.58 117.37 3g8b h GLU 58 Ca -0.45 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3g8b h GLU 58 Cb 1.33 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 3g8b h GLU 58 CO 0.42 0.09 0.46 1.49 -0.73 0.00 0.00 179.01 180.74 3g8b h GLU 59 N 0.14 1.24 -0.17 1.92 4.81 -1.98 -0.89 114.58 119.65 3g8b h GLU 59 Ca 0.21 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3g8b h GLU 59 Cb 0.29 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3g8b h GLU 59 CO -0.33 0.93 -0.36 1.49 -0.73 0.00 0.00 179.01 180.01 3g8b h GLU 60 N 1.24 0.36 -0.21 1.92 4.81 -1.69 -0.93 114.58 120.08 3g8b h GLU 60 Ca 0.31 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3g8b h GLU 60 Cb 0.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3g8b h GLU 60 CO -0.04 0.68 -0.12 0.28 -0.73 0.00 0.00 179.01 179.08 3g8b h VAL 61 N 0.31 1.31 -0.40 0.32 2.07 -0.68 0.30 116.25 119.48 3g8b h VAL 61 Ca 0.03 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3g8b h VAL 61 Cb 0.79 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3g8b h VAL 61 CO 0.06 0.37 0.21 0.58 0.02 0.00 0.00 177.57 178.81 3g8b h VAL 62 N 0.15 1.16 0.00 2.57 2.07 -1.00 -0.48 116.25 120.73 3g8b h VAL 62 Ca 0.05 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3g8b h VAL 62 Cb 0.62 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3g8b h VAL 62 CO 0.03 0.17 -0.29 0.58 0.02 0.00 0.00 177.57 178.08 3g8b h VAL 63 N 0.51 1.14 -0.00 2.57 2.07 -1.20 0.16 116.25 121.50 3g8b h VAL 63 Ca 0.14 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3g8b h VAL 63 Cb 0.08 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3g8b h VAL 63 CO -0.02 0.39 -0.06 0.29 0.02 0.00 0.00 177.57 178.19 3g8b n LYS 64 N -4.61 0.85 0.00 1.57 4.76 0.09 -2.09 118.16 118.73 3g8b n LYS 64 Ca -0.12 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 3g8b n LYS 64 Cb 0.41 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 3g8b n LYS 64 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3g8b n HIS 65 N -0.87 0.00 0.25 2.13 8.25 -0.96 -4.57 115.22 119.46 3g8b n HIS 65 Ca 0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 3g8b n HIS 65 Cb 0.24 0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.70 3g8b n HIS 65 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3g8b h PHE 66 N 0.00 -0.64 -0.34 4.41 0.04 -1.00 -2.30 116.94 117.12 3g8b h PHE 66 Ca 0.00 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 3g8b h PHE 66 Cb 0.14 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3g8b h PHE 66 CO 0.00 -0.33 -0.38 -0.07 -0.60 0.00 0.00 178.31 176.93 3g8b h LEU 67 N -1.08 0.86 -0.58 1.54 3.38 -0.77 -2.24 115.31 116.41 3g8b h LEU 67 Ca -0.07 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.54 3g8b h LEU 67 Cb 0.60 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3g8b h LEU 67 CO 0.12 1.14 0.36 -0.78 0.09 0.00 0.00 178.44 179.36 3g8b h ASP 68 N 0.67 0.58 -0.85 -0.43 3.58 -1.54 -1.58 116.42 116.85 3g8b h ASP 68 Ca 0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 3g8b h ASP 68 Cb 0.94 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.83 3g8b h ASP 68 CO 0.09 0.41 0.42 0.28 -2.88 0.00 0.00 179.24 177.56 3g8b h SER 69 N 0.70 1.11 0.61 2.28 0.02 -1.30 -2.70 113.55 114.27 3g8b h SER 69 Ca 0.23 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3g8b h SER 69 Cb 0.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.27 3g8b h SER 69 CO -0.09 0.92 0.00 0.18 -1.14 0.00 0.00 176.83 176.70 3g8b n LEU 70 N -4.31 0.00 0.31 5.07 4.77 -0.67 -2.73 117.00 119.44 3g8b n LEU 70 Ca 0.09 0.47 0.19 0.00 -0.03 0.00 0.00 56.01 56.72 3g8b n LEU 70 Cb 0.13 -0.47 1.00 0.00 -2.33 0.00 0.00 43.42 41.76 3g8b n LEU 70 CO 0.40 -0.16 1.11 0.71 -1.33 0.00 0.00 177.39 178.12 3g8b h THR 71 N 0.00 0.18 -0.91 -5.08 1.35 -1.01 -1.12 112.91 106.32 3g8b h THR 71 Ca 0.00 -0.18 0.24 0.00 -0.55 0.00 0.00 66.41 65.92 3g8b h THR 71 Cb 0.31 1.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.82 3g8b h THR 71 CO 0.00 0.02 0.63 -0.07 -0.25 0.00 0.00 175.52 175.85 3g8b h LEU 72 N 0.00 0.19 0.00 3.87 3.38 -1.72 -0.69 115.31 120.34 3g8b h LEU 72 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g8b h LEU 72 Cb 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3g8b h LEU 72 CO 0.00 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.78 3g8b n LEU 73 N -4.39 0.00 0.20 1.67 4.77 -0.42 -1.63 117.00 117.20 3g8b n LEU 73 Ca 0.19 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.45 3g8b n LEU 73 Cb 0.86 -0.13 0.50 0.00 -2.33 0.00 0.00 43.42 42.32 3g8b n LEU 73 CO 0.35 -0.03 0.91 0.03 -1.33 0.00 0.00 177.39 177.31 3g8b h ARG 74 N 0.00 0.00 -5.57 3.23 2.47 -1.30 -3.42 114.38 109.79 3g8b h ARG 74 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 3g8b h ARG 74 Cb 0.10 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.33 3g8b h ARG 74 CO 0.00 0.00 -0.32 -0.51 0.56 0.00 0.00 179.97 179.70 3g8b s LEU 75 N -5.45 4.28 -1.50 3.04 1.43 -0.64 -5.01 118.68 114.83 3g8b s LEU 75 Ca 0.04 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 3g8b s LEU 75 Cb 0.09 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3g8b s LEU 75 CO 0.53 0.15 2.42 -0.81 0.23 0.00 0.00 176.35 178.87 3g8b n PRO 76 N 3.24 3.08 -0.21 1.29 -0.04 -1.26 -4.45 135.00 136.64 3g8b n PRO 76 Ca -0.13 -2.50 0.02 0.00 -0.04 0.00 0.00 63.50 60.86 3g8b n PRO 76 Cb 0.52 -3.16 0.03 0.00 -0.04 0.00 0.00 33.50 30.85 3g8b n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g8b n LEU 77 N 5.44 0.76 -1.97 1.53 4.77 -1.26 -4.89 117.00 121.38 3g8b n LEU 77 Ca 0.59 -1.30 -0.05 0.00 -0.03 0.00 0.00 56.01 55.21 3g8b n LEU 77 Cb 0.35 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3g8b n LEU 77 CO 0.89 0.31 0.12 0.79 -1.33 0.00 0.00 177.39 178.17 3g8b n TRP 78 N -0.36 1.25 -4.09 -1.77 7.02 -1.26 -5.03 117.44 113.20 3g8b n TRP 78 Ca 0.03 -1.74 -0.36 0.00 -1.02 0.00 0.00 57.50 54.42 3g8b n TRP 78 Cb 0.57 -0.25 -0.07 0.00 -2.42 0.00 0.00 31.31 29.14 3g8b n TRP 78 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 3g8b s GLN 79 N -2.92 3.23 0.00 -0.99 -2.07 -1.26 -4.91 119.66 110.73 3g8b s GLN 79 Ca 0.37 -0.28 0.00 0.00 -1.82 0.00 0.00 55.36 53.63 3g8b s GLN 79 Cb 0.37 -3.00 0.00 0.00 -1.09 0.00 0.00 33.01 29.29 3g8b s GLN 79 CO -0.05 0.73 0.00 0.41 -1.32 0.00 0.00 175.29 175.06 3g8b n GLY 80 N 1.89 -0.91 2.38 2.60 0.00 -1.26 -4.52 105.19 105.37 3g8b n GLY 80 Ca -0.18 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 43.95 3g8b n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g8b n PRO 81 N -0.95 2.29 -2.33 1.61 -0.04 -1.26 -4.15 135.00 130.17 3g8b n PRO 81 Ca 0.00 -1.41 -0.40 0.00 -0.04 0.00 0.00 63.50 61.66 3g8b n PRO 81 Cb 0.00 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 3g8b n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g8b s LEU 82 N 0.08 4.41 -0.26 1.53 1.43 -1.26 -4.59 118.68 120.01 3g8b s LEU 82 Ca 0.50 2.39 -0.23 0.00 -1.03 0.00 0.00 54.13 55.76 3g8b s LEU 82 Cb 0.16 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 3g8b s LEU 82 CO -0.03 -0.40 0.77 -0.60 0.23 0.00 0.00 176.35 176.31 3g8b s ARG 83 N -1.81 4.11 -0.04 1.70 3.52 -1.26 0.28 118.95 125.44 3g8b s ARG 83 Ca 0.50 0.75 0.05 0.00 -0.13 0.00 0.00 55.73 56.90 3g8b s ARG 83 Cb -0.33 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.38 3g8b s ARG 83 CO 0.43 -0.53 -0.21 0.08 -0.81 0.00 0.00 175.30 174.26 3g8b s VAL 84 N 2.78 1.69 -0.19 7.11 1.01 0.11 -1.74 120.40 131.17 3g8b s VAL 84 Ca 0.32 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3g8b s VAL 84 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3g8b s VAL 84 CO 0.09 0.48 -0.03 -0.22 0.00 0.00 0.00 175.10 175.42 3g8b s LEU 85 N -0.16 3.13 -0.49 3.92 2.96 -0.33 -0.77 118.68 126.94 3g8b s LEU 85 Ca -0.01 -0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 3g8b s LEU 85 Cb -0.11 -1.78 0.09 0.00 0.50 0.00 0.00 46.19 44.89 3g8b s LEU 85 CO 0.02 0.09 0.42 -0.62 -1.32 0.00 0.00 176.35 174.93 3g8b s ASP 86 N 0.86 6.12 -0.23 3.68 2.15 -0.18 0.16 116.67 129.24 3g8b s ASP 86 Ca -0.00 -1.49 -0.21 0.00 0.43 0.00 0.00 52.55 51.27 3g8b s ASP 86 Cb -0.14 -2.18 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 3g8b s ASP 86 CO 0.02 -0.70 0.67 -0.22 -0.17 0.00 0.00 175.17 174.76 3g8b s LEU 87 N 1.61 4.10 -0.52 -1.34 2.96 -0.27 -0.99 118.68 124.24 3g8b s LEU 87 Ca 0.04 0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 54.78 3g8b s LEU 87 Cb -0.26 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.49 3g8b s LEU 87 CO 0.05 -0.36 0.44 0.61 -1.32 0.00 0.00 176.35 175.77 3g8b n GLY 88 N 3.92 0.10 0.31 7.98 0.00 0.24 -4.54 105.19 113.20 3g8b n GLY 88 Ca 0.00 -0.23 0.20 0.00 0.00 0.00 0.00 46.02 45.99 3g8b n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b h THR 89 N -0.84 0.06 0.00 2.61 1.03 -1.23 -3.45 112.91 111.10 3g8b h THR 89 Ca -0.25 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 3g8b h THR 89 Cb 1.15 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 3g8b h THR 89 CO 0.22 0.01 0.00 0.61 -0.01 0.00 0.00 175.52 176.35 3g8b n GLY 90 N -0.63 4.04 0.18 2.99 0.00 -1.26 -0.80 105.19 109.72 3g8b n GLY 90 Ca -0.02 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.21 3g8b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b n ALA 91 N 12.45 2.54 0.00 4.61 0.00 -1.26 -4.58 120.51 134.27 3g8b n ALA 91 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3g8b n ALA 91 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3g8b n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g8b n GLY 92 N 0.81 1.24 3.00 0.00 0.00 0.02 -4.66 105.19 105.60 3g8b n GLY 92 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3g8b n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g8b s PHE 93 N -2.00 1.09 -2.08 1.61 0.08 -0.32 -0.91 117.98 115.45 3g8b s PHE 93 Ca 0.00 -0.31 0.14 0.00 0.12 0.00 0.00 56.93 56.88 3g8b s PHE 93 Cb 0.00 -0.80 0.44 0.00 -0.57 0.00 0.00 43.02 42.09 3g8b s PHE 93 CO 0.00 -0.15 1.35 -0.35 -0.10 0.00 0.00 175.22 175.96 3g8b n PRO 94 N 3.50 1.82 -0.02 0.24 -0.04 -1.26 -4.62 135.00 134.61 3g8b n PRO 94 Ca -0.20 -1.26 -0.09 0.00 -0.04 0.00 0.00 63.50 61.91 3g8b n PRO 94 Cb 0.53 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 3g8b n PRO 94 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3g8b h GLY 95 N 5.14 0.03 0.79 0.55 0.00 -1.90 -2.70 103.07 104.98 3g8b h GLY 95 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3g8b h GLY 95 CO 0.00 -0.13 0.01 1.41 0.00 0.00 0.00 176.54 177.84 3g8b h LEU 96 N -0.11 0.22 -0.94 3.11 3.38 -1.40 -0.34 115.31 119.22 3g8b h LEU 96 Ca 0.10 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3g8b h LEU 96 Cb 0.26 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3g8b h LEU 96 CO -0.24 0.45 0.59 -0.65 0.09 0.00 0.00 178.44 178.68 3g8b h PRO 97 N -0.01 1.01 -0.35 1.13 0.11 -1.74 -0.87 132.00 131.27 3g8b h PRO 97 Ca 0.04 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3g8b h PRO 97 Cb 0.33 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3g8b h PRO 97 CO 0.00 0.67 0.23 1.25 -0.21 0.00 0.00 178.00 179.94 3g8b h LEU 98 N 1.04 0.41 -0.75 2.35 5.85 -1.11 -2.57 115.31 120.54 3g8b h LEU 98 Ca 0.43 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 59.02 3g8b h LEU 98 Cb 0.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3g8b h LEU 98 CO -0.20 0.30 -0.17 0.50 -0.34 0.00 0.00 178.44 178.54 3g8b h LYS 99 N 0.48 0.78 -0.67 1.25 1.63 -0.63 0.09 116.57 119.50 3g8b h LYS 99 Ca 0.13 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3g8b h LYS 99 Cb -0.05 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 3g8b h LYS 99 CO -0.03 0.89 0.40 0.82 -3.45 0.00 0.00 179.45 178.08 3g8b h ILE 100 N 0.69 1.20 0.00 2.00 2.04 -0.99 -2.81 117.51 119.64 3g8b h ILE 100 Ca 0.11 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3g8b h ILE 100 Cb 0.66 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3g8b h ILE 100 CO 0.05 0.21 -0.86 0.58 0.00 0.00 0.00 178.15 178.13 3g8b h VAL 101 N 0.91 0.00 -2.28 1.67 2.07 -1.33 -3.38 116.25 113.91 3g8b h VAL 101 Ca 0.24 -0.81 -0.59 0.00 0.82 0.00 0.00 66.70 66.36 3g8b h VAL 101 Cb -0.01 1.34 -0.41 0.00 -1.52 0.00 0.00 31.29 30.69 3g8b h VAL 101 CO -0.04 0.00 -0.78 0.54 0.02 0.00 0.00 177.57 177.31 3g8b n ARG 102 N -2.47 1.68 0.21 1.57 5.12 0.00 -4.98 116.66 117.80 3g8b n ARG 102 Ca 0.01 -4.08 0.18 0.00 -1.93 0.00 0.00 57.85 52.02 3g8b n ARG 102 Cb 0.51 -1.90 0.84 0.00 -1.16 0.00 0.00 32.46 30.75 3g8b n ARG 102 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g8b h PRO 103 N 4.43 0.00 0.00 5.56 0.13 -1.69 -2.33 132.00 138.10 3g8b h PRO 103 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 3g8b h PRO 103 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3g8b h PRO 103 CO 0.67 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.26 3g8b h GLU 104 N 0.00 0.00 -6.84 0.86 5.08 -1.86 -3.45 114.58 108.36 3g8b h GLU 104 Ca 0.08 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.91 3g8b h GLU 104 Cb 0.52 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.84 3g8b h GLU 104 CO -0.00 0.10 0.77 -0.51 -1.00 0.00 0.00 179.01 178.37 3g8b s LEU 105 N -6.48 4.37 -0.67 1.33 1.43 -0.88 -4.10 118.68 113.68 3g8b s LEU 105 Ca 0.01 2.84 -0.20 0.00 -1.03 0.00 0.00 54.13 55.75 3g8b s LEU 105 Cb 0.09 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.77 3g8b s LEU 105 CO 0.59 -0.76 0.87 -1.61 0.23 0.00 0.00 176.35 175.67 3g8b s GLU 106 N -1.20 3.17 -0.21 1.70 0.41 0.14 -4.77 118.70 117.94 3g8b s GLU 106 Ca 0.56 -1.24 -0.09 0.00 -0.41 0.00 0.00 54.97 53.79 3g8b s GLU 106 Cb -0.44 -4.35 -0.05 0.00 -1.78 0.00 0.00 34.13 27.51 3g8b s GLU 106 CO 0.52 -1.67 0.11 -1.17 -0.49 0.00 0.00 175.26 172.56 3g8b s LEU 107 N 3.11 3.99 -0.20 1.80 2.96 -0.43 0.04 118.68 129.95 3g8b s LEU 107 Ca 0.19 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3g8b s LEU 107 Cb -0.18 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.48 3g8b s LEU 107 CO 0.05 0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.41 3g8b s VAL 108 N 0.60 2.74 -0.33 1.68 1.01 0.05 -1.69 120.40 124.46 3g8b s VAL 108 Ca 0.06 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3g8b s VAL 108 Cb -0.12 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3g8b s VAL 108 CO 0.01 0.47 0.13 -0.76 0.00 0.00 0.00 175.10 174.95 3g8b s LEU 109 N 1.38 4.20 -0.08 3.92 1.02 0.28 -1.01 118.68 128.39 3g8b s LEU 109 Ca 0.05 -0.81 -0.02 0.00 0.02 0.00 0.00 54.13 53.37 3g8b s LEU 109 Cb -0.14 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 3g8b s LEU 109 CO -0.08 -0.26 0.02 -0.69 0.02 0.00 0.00 176.35 175.36 3g8b s VAL 110 N 1.52 4.49 -0.12 -1.59 1.01 -0.16 -0.11 120.40 125.44 3g8b s VAL 110 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 3g8b s VAL 110 Cb -0.18 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.33 3g8b s VAL 110 CO 0.04 0.59 0.43 -0.62 0.00 0.00 0.00 175.10 175.55 3g8b s ASP 111 N -0.96 -0.42 0.13 3.32 -1.08 -0.87 -0.60 116.67 116.20 3g8b s ASP 111 Ca 0.14 0.69 0.23 0.00 -0.52 0.00 0.00 52.55 53.09 3g8b s ASP 111 Cb -0.11 0.74 0.91 0.00 -1.46 0.00 0.00 42.92 42.99 3g8b s ASP 111 CO 0.03 -0.27 1.72 0.00 0.52 0.00 0.00 175.17 177.17 3g8b n ALA 112 N 2.29 1.97 -2.51 3.66 0.00 -1.14 -2.09 120.51 122.69 3g8b n ALA 112 Ca -0.16 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3g8b n ALA 112 Cb 0.57 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 3g8b n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g8b s THR 113 N -3.12 5.21 0.25 0.00 2.01 -1.26 -4.68 115.64 114.05 3g8b s THR 113 Ca 0.09 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 3g8b s THR 113 Cb 0.12 -3.84 0.21 0.00 0.01 0.00 0.00 72.50 69.01 3g8b s THR 113 CO 0.45 -0.22 1.78 -0.09 -0.69 0.00 0.00 174.62 175.85 3g8b h ARG 114 N 8.58 0.66 -0.18 4.92 2.43 -1.99 -1.51 114.38 127.29 3g8b h ARG 114 Ca -0.28 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3g8b h ARG 114 Cb 1.13 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3g8b h ARG 114 CO 0.70 0.44 0.02 -0.22 -1.51 0.00 0.00 179.97 179.39 3g8b h LYS 115 N 0.68 0.25 -0.04 0.20 3.64 -1.97 0.43 116.57 119.77 3g8b h LYS 115 Ca 0.41 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.52 3g8b h LYS 115 Cb 0.47 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3g8b h LYS 115 CO -0.29 0.27 -0.93 0.87 -2.27 0.00 0.00 179.45 177.10 3g8b h LYS 116 N 0.25 0.62 -0.96 1.90 1.57 -1.59 -2.60 116.57 115.75 3g8b h LYS 116 Ca 0.06 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3g8b h LYS 116 Cb 0.15 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 3g8b h LYS 116 CO 0.00 1.22 0.61 0.28 -0.57 0.00 0.00 179.45 180.99 3g8b h VAL 117 N 0.38 1.26 -0.78 0.50 2.07 -0.86 -1.59 116.25 117.23 3g8b h VAL 117 Ca -0.09 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3g8b h VAL 117 Cb 1.56 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3g8b h VAL 117 CO 0.18 0.26 0.36 0.00 0.02 0.00 0.00 177.57 178.38 3g8b h ALA 118 N 1.34 1.01 -0.21 1.67 0.00 -0.89 -1.68 119.26 120.49 3g8b h ALA 118 Ca 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3g8b h ALA 118 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3g8b h ALA 118 CO -0.07 0.59 0.03 0.35 0.00 0.00 0.00 179.25 180.15 3g8b h PHE 119 N 1.11 0.37 -0.71 0.00 3.57 -1.04 -1.79 116.94 118.45 3g8b h PHE 119 Ca 0.27 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3g8b h PHE 119 Cb 0.14 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3g8b h PHE 119 CO 0.01 0.49 0.47 0.28 -2.23 0.00 0.00 178.31 177.33 3g8b h VAL 120 N 0.13 1.19 -0.84 1.41 2.07 -1.15 0.69 116.25 119.75 3g8b h VAL 120 Ca 0.06 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3g8b h VAL 120 Cb 0.33 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3g8b h VAL 120 CO 0.00 0.18 0.50 -0.08 0.02 0.00 0.00 177.57 178.20 3g8b h GLU 121 N 0.96 1.14 -0.55 1.57 4.57 -1.26 -0.08 114.58 120.94 3g8b h GLU 121 Ca 0.26 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3g8b h GLU 121 Cb -0.10 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.22 3g8b h GLU 121 CO -0.06 0.81 0.27 -0.09 -1.18 0.00 0.00 179.01 178.76 3g8b h ARG 122 N 1.16 0.80 -0.48 1.92 2.43 -0.48 -1.63 114.38 118.09 3g8b h ARG 122 Ca 0.30 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3g8b h ARG 122 Cb -0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3g8b h ARG 122 CO -0.06 0.65 0.23 0.00 -1.51 0.00 0.00 179.97 179.29 3g8b h ALA 123 N 1.10 0.62 -0.39 2.80 0.00 -0.40 0.44 119.26 123.44 3g8b h ALA 123 Ca 0.19 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3g8b h ALA 123 Cb 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3g8b h ALA 123 CO -0.02 0.19 0.13 0.82 0.00 0.00 0.00 179.25 180.36 3g8b h ILE 124 N 0.64 0.87 0.23 0.00 2.04 -0.79 0.24 117.51 120.75 3g8b h ILE 124 Ca 0.17 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3g8b h ILE 124 Cb 0.12 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3g8b h ILE 124 CO -0.02 0.05 -0.11 -0.08 0.00 0.00 0.00 178.15 177.99 3g8b h GLU 125 N 0.28 -0.30 -0.73 2.37 4.57 -1.00 0.70 114.58 120.48 3g8b h GLU 125 Ca 0.18 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 3g8b h GLU 125 Cb 0.17 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 3g8b h GLU 125 CO -0.19 -0.13 0.47 0.28 -1.18 0.00 0.00 179.01 178.25 3g8b h VAL 126 N -0.39 1.15 0.00 0.32 2.07 -0.64 -1.14 116.25 117.62 3g8b h VAL 126 Ca -0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3g8b h VAL 126 Cb 0.30 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3g8b h VAL 126 CO 0.05 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.99 3g8b n LEU 127 N -4.61 0.31 -1.91 2.57 4.77 0.83 -4.91 117.00 114.04 3g8b n LEU 127 Ca 0.07 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.44 3g8b n LEU 127 Cb 0.05 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3g8b n LEU 127 CO 0.35 -0.12 -0.06 0.61 -1.33 0.00 0.00 177.39 176.83 3g8b n GLY 128 N 1.17 -0.14 3.76 -0.72 0.00 0.11 -4.98 105.19 104.39 3g8b n GLY 128 Ca 0.06 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3g8b n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g8b s LEU 129 N -4.39 4.57 -0.08 0.99 1.43 -0.45 -5.03 118.68 115.73 3g8b s LEU 129 Ca 0.13 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.47 3g8b s LEU 129 Cb -0.06 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3g8b s LEU 129 CO 0.17 -0.08 -0.18 -0.54 0.23 0.00 0.00 176.35 175.94 3g8b s LYS 130 N -1.36 2.78 0.00 1.70 -0.14 -1.26 -4.62 119.74 116.84 3g8b s LYS 130 Ca 0.44 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 3g8b s LYS 130 Cb -0.31 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 3g8b s LYS 130 CO 0.39 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.80 3g8b n GLY 131 N 2.91 0.89 3.19 -3.33 0.00 -1.26 -4.97 105.19 102.62 3g8b n GLY 131 Ca -0.18 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3g8b n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b s ALA 132 N -2.44 -0.80 -0.05 4.61 0.00 -1.26 -1.32 121.76 120.51 3g8b s ALA 132 Ca 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 3g8b s ALA 132 Cb 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3g8b s ALA 132 CO 0.00 -0.18 0.34 -0.98 0.00 0.00 0.00 175.76 174.94 3g8b s ARG 133 N 0.63 0.62 0.22 0.00 1.70 -0.68 -5.00 118.95 116.43 3g8b s ARG 133 Ca -0.04 0.01 -0.07 0.00 -0.47 0.00 0.00 55.73 55.15 3g8b s ARG 133 Cb -0.05 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.55 3g8b s ARG 133 CO -0.04 -0.16 0.50 0.00 -1.08 0.00 0.00 175.30 174.53 3g8b s ALA 134 N -0.93 3.64 -0.03 7.88 0.00 -1.26 -0.56 121.76 130.49 3g8b s ALA 134 Ca -0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 3g8b s ALA 134 Cb -0.04 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.78 3g8b s ALA 134 CO 0.04 0.51 0.02 -1.17 0.00 0.00 0.00 175.76 175.16 3g8b s LEU 135 N -2.90 0.89 -0.32 0.00 2.96 0.84 -4.86 118.68 115.29 3g8b s LEU 135 Ca 0.45 0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.18 3g8b s LEU 135 Cb -0.11 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 3g8b s LEU 135 CO 0.24 -0.15 0.58 0.86 -1.32 0.00 0.00 176.35 176.56 3g8b s TRP 136 N 1.34 3.20 0.00 5.38 -0.00 -1.26 -2.06 118.94 125.54 3g8b s TRP 136 Ca -0.05 0.41 0.00 0.00 -0.00 0.00 0.00 56.10 56.46 3g8b s TRP 136 Cb -0.13 -2.96 0.00 0.00 -0.00 0.00 0.00 33.47 30.38 3g8b s TRP 136 CO -0.03 -0.50 0.00 0.41 -0.00 0.00 0.00 176.95 176.83 3g8b n GLY 137 N 4.59 0.73 3.77 5.86 0.00 -0.89 -4.98 105.19 114.27 3g8b n GLY 137 Ca -0.03 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 3g8b n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g8b s ARG 138 N -2.00 4.32 0.26 1.61 1.81 -1.26 -2.90 118.95 120.78 3g8b s ARG 138 Ca 0.00 0.78 -0.01 0.00 -1.72 0.00 0.00 55.73 54.78 3g8b s ARG 138 Cb 0.00 -3.32 0.52 0.00 -0.45 0.00 0.00 34.95 31.70 3g8b s ARG 138 CO 0.00 0.42 1.79 0.00 -0.68 0.00 0.00 175.30 176.83 3g8b h ALA 139 N 5.37 1.32 -0.06 2.13 0.00 -1.97 -0.17 119.26 125.88 3g8b h ALA 139 Ca -0.46 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3g8b h ALA 139 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3g8b h ALA 139 CO 0.68 0.01 -0.14 0.93 0.00 0.00 0.00 179.25 180.73 3g8b h GLU 140 N 0.73 0.10 0.11 0.00 3.07 -1.91 -1.09 114.58 115.59 3g8b h GLU 140 Ca 0.46 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 59.09 3g8b h GLU 140 Cb 0.57 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3g8b h GLU 140 CO -0.32 0.24 -1.05 0.28 -1.40 0.00 0.00 179.01 176.77 3g8b h VAL 141 N 0.09 1.28 -0.40 3.13 2.07 -1.61 -3.35 116.25 117.46 3g8b h VAL 141 Ca 0.02 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 3g8b h VAL 141 Cb 0.31 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 3g8b h VAL 141 CO 0.02 0.67 0.24 -0.07 0.02 0.00 0.00 177.57 178.45 3g8b h LEU 142 N -0.44 0.47 0.00 2.57 3.38 -0.91 -1.29 115.31 119.09 3g8b h LEU 142 Ca -0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3g8b h LEU 142 Cb 1.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3g8b h LEU 142 CO 0.07 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3g8b n ALA 143 N -2.48 2.03 0.51 1.53 0.00 -0.43 -1.37 120.51 120.30 3g8b n ALA 143 Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3g8b n ALA 143 Cb 0.08 -1.29 0.14 0.00 0.00 0.00 0.00 19.45 18.38 3g8b n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g8b n ARG 144 N -1.21 2.08 -3.51 0.00 5.12 -0.49 -4.33 116.66 114.34 3g8b n ARG 144 Ca 0.10 -1.93 -0.37 0.00 -1.93 0.00 0.00 57.85 53.72 3g8b n ARG 144 Cb 0.12 -1.42 -0.07 0.00 -1.16 0.00 0.00 32.46 29.94 3g8b n ARG 144 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g8b s GLU 145 N -1.49 4.17 0.45 5.56 2.02 -0.47 -4.93 118.70 124.01 3g8b s GLU 145 Ca 0.29 0.21 0.23 0.00 0.02 0.00 0.00 54.97 55.71 3g8b s GLU 145 Cb 0.18 -3.38 1.22 0.00 0.10 0.00 0.00 34.13 32.26 3g8b s GLU 145 CO 0.26 0.33 1.83 0.00 0.02 0.00 0.00 175.26 177.70 3g8b h ALA 146 N 6.25 2.45 0.00 5.21 0.00 -1.93 0.35 119.26 131.59 3g8b h ALA 146 Ca -0.44 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3g8b h ALA 146 Cb 1.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3g8b h ALA 146 CO 0.72 -0.77 -0.04 0.78 0.00 0.00 0.00 179.25 179.94 3g8b h GLY 147 N 0.28 0.00 0.00 0.00 0.00 -1.93 -3.38 103.07 98.04 3g8b h GLY 147 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3g8b h GLY 147 CO -0.16 0.00 -0.47 1.42 0.00 0.00 0.00 176.54 177.32 3g8b n HIS 148 N -3.21 0.00 -1.68 5.60 8.25 0.89 -4.89 115.22 120.19 3g8b n HIS 148 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3g8b n HIS 148 Cb 0.25 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 3g8b n HIS 148 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3g8b n ARG 149 N -1.13 2.85 -4.22 -0.41 0.63 0.68 -2.28 116.66 112.79 3g8b n ARG 149 Ca 0.00 1.04 -0.36 0.00 -0.92 0.00 0.00 57.85 57.62 3g8b n ARG 149 Cb 0.20 -2.97 -0.03 0.00 0.45 0.00 0.00 32.46 30.11 3g8b n ARG 149 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3g8b n GLU 150 N 6.47 -3.00 -0.04 -0.14 1.02 0.16 -4.83 120.64 120.29 3g8b n GLU 150 Ca 0.19 0.36 0.02 0.00 -0.02 0.00 0.00 57.16 57.70 3g8b n GLU 150 Cb 0.39 -4.98 0.03 0.00 -0.02 0.00 0.00 31.44 26.86 3g8b n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g8b n ALA 151 N -4.38 2.19 -2.52 0.62 0.00 -0.48 -3.50 120.51 112.44 3g8b n ALA 151 Ca 0.03 -0.88 -0.32 0.00 0.00 0.00 0.00 53.44 52.27 3g8b n ALA 151 Cb 0.51 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.72 3g8b n ALA 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3g8b s TYR 152 N -0.77 2.74 0.08 0.00 2.02 -0.04 -4.84 117.35 116.54 3g8b s TYR 152 Ca 0.06 -0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 3g8b s TYR 152 Cb 0.03 -1.58 -0.27 0.00 -0.40 0.00 0.00 41.96 39.74 3g8b s TYR 152 CO 0.04 0.28 1.16 0.00 -1.57 0.00 0.00 175.55 175.46 3g8b h ALA 153 N 4.83 0.16 -2.84 3.71 0.00 -1.67 -0.25 119.26 123.20 3g8b h ALA 153 Ca -0.48 -0.90 -0.18 0.00 0.00 0.00 0.00 54.91 53.35 3g8b h ALA 153 Cb 1.16 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 3g8b h ALA 153 CO 0.51 1.04 -0.70 1.03 0.00 0.00 0.00 179.25 181.13 3g8b s ARG 154 N -2.67 0.43 -0.03 0.00 1.81 -0.71 -1.14 118.95 116.64 3g8b s ARG 154 Ca -0.03 -0.78 -0.05 0.00 -1.72 0.00 0.00 55.73 53.14 3g8b s ARG 154 Cb 0.08 0.04 0.01 0.00 -0.45 0.00 0.00 34.95 34.63 3g8b s ARG 154 CO 0.87 -0.04 0.13 0.00 -0.68 0.00 0.00 175.30 175.58 3g8b s ALA 155 N -2.00 -0.32 0.11 2.13 0.00 -0.98 -1.19 121.76 119.52 3g8b s ALA 155 Ca -0.09 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3g8b s ALA 155 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3g8b s ALA 155 CO -0.03 -0.12 -0.09 0.14 0.00 0.00 0.00 175.76 175.66 3g8b s VAL 156 N -0.46 0.96 -0.28 0.00 -7.23 0.12 -0.49 120.40 113.03 3g8b s VAL 156 Ca -0.05 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 3g8b s VAL 156 Cb -0.04 -1.59 0.08 0.00 0.56 0.00 0.00 36.38 35.40 3g8b s VAL 156 CO 0.01 -0.69 0.73 0.00 -0.31 0.00 0.00 175.10 174.84 3g8b s ALA 157 N -2.98 -1.87 -0.02 1.32 0.00 -1.05 -1.11 121.76 116.05 3g8b s ALA 157 Ca 0.10 2.25 0.05 0.00 0.00 0.00 0.00 51.96 54.37 3g8b s ALA 157 Cb 0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 3g8b s ALA 157 CO -0.01 -0.36 -0.18 0.50 0.00 0.00 0.00 175.76 175.72 3g8b s ARG 158 N 1.11 1.55 -1.32 0.00 3.52 -1.26 -1.58 118.95 120.96 3g8b s ARG 158 Ca -0.06 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 54.89 3g8b s ARG 158 Cb -0.05 -1.45 -0.00 0.00 -1.56 0.00 0.00 34.95 31.89 3g8b s ARG 158 CO -0.12 0.35 0.61 0.00 -0.81 0.00 0.00 175.30 175.34 3g8b n ALA 159 N 2.77 -2.07 -0.04 6.12 0.00 -1.26 -4.91 120.51 121.12 3g8b n ALA 159 Ca -0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 3g8b n ALA 159 Cb 0.54 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 3g8b n ALA 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g8b n VAL 160 N -4.29 0.55 -3.58 0.00 0.31 -1.26 -5.11 118.33 104.95 3g8b n VAL 160 Ca -0.29 -0.10 -0.06 0.00 -0.01 0.00 0.00 64.34 63.88 3g8b n VAL 160 Cb 0.67 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.95 3g8b n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g8b s ALA 161 N -2.18 -1.88 0.72 3.52 0.00 -1.26 -5.05 121.76 115.63 3g8b s ALA 161 Ca -0.13 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 3g8b s ALA 161 Cb 0.05 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.52 3g8b s ALA 161 CO 0.16 -0.76 1.09 -2.30 0.00 0.00 0.00 175.76 173.95 3g8b n PRO 162 N -0.27 0.58 -0.28 0.00 -0.02 -1.26 -4.50 135.00 129.25 3g8b n PRO 162 Ca -0.06 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 3g8b n PRO 162 Cb 0.61 -2.34 0.22 0.00 -0.02 0.00 0.00 33.50 31.98 3g8b n PRO 162 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g8b h LEU 163 N -0.20 0.40 -1.01 2.45 3.38 -1.97 0.27 115.31 118.63 3g8b h LEU 163 Ca -0.48 0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.62 3g8b h LEU 163 Cb 1.33 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 3g8b h LEU 163 CO 0.48 0.14 0.66 0.00 0.09 0.00 0.00 178.44 179.81 3g8b h VAL 165 N 1.33 1.62 -0.50 0.00 2.07 -1.53 -3.33 116.25 115.91 3g8b h VAL 165 Ca 0.38 -1.86 0.03 0.00 0.82 0.00 0.00 66.70 66.07 3g8b h VAL 165 Cb -0.10 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3g8b h VAL 165 CO -0.10 0.49 0.33 0.25 0.02 0.00 0.00 177.57 178.56 3g8b h LEU 166 N -0.75 0.48 -1.15 2.57 5.85 -0.25 -1.78 115.31 120.28 3g8b h LEU 166 Ca -0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3g8b h LEU 166 Cb 0.81 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3g8b h LEU 166 CO 0.01 0.33 -0.21 0.77 -0.34 0.00 0.00 178.44 179.00 3g8b h SER 167 N 0.56 0.33 0.70 1.25 4.64 -0.76 0.51 113.55 120.79 3g8b h SER 167 Ca 0.20 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 3g8b h SER 167 Cb 0.10 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3g8b h SER 167 CO -0.05 0.56 -0.65 -0.08 -0.87 0.00 0.00 176.83 175.74 3g8b h GLU 168 N 0.31 0.00 0.08 4.77 4.81 -1.44 -2.09 114.58 121.02 3g8b h GLU 168 Ca 0.05 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.03 3g8b h GLU 168 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3g8b h GLU 168 CO 0.04 0.65 -1.13 -0.07 -0.73 0.00 0.00 179.01 177.77 3g8b h LEU 169 N 0.00 0.42 0.00 1.64 3.38 -1.05 -3.40 115.31 116.30 3g8b h LEU 169 Ca -0.01 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 3g8b h LEU 169 Cb 1.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3g8b h LEU 169 CO 0.08 1.28 -0.82 -0.07 0.09 0.00 0.00 178.44 179.00 3g8b h LEU 170 N 0.11 0.00 -0.94 1.67 3.38 -0.93 -3.41 115.31 115.20 3g8b h LEU 170 Ca -0.11 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.48 3g8b h LEU 170 Cb 1.83 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 3g8b h LEU 170 CO 0.19 1.22 0.57 -0.07 0.09 0.00 0.00 178.44 180.43 3g8b h LEU 171 N -1.00 0.82 -2.68 1.67 3.38 -1.59 -1.01 115.31 114.91 3g8b h LEU 171 Ca -0.21 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3g8b h LEU 171 Cb 1.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3g8b h LEU 171 CO -0.12 0.44 0.02 -0.65 0.09 0.00 0.00 178.44 178.21 3g8b h PRO 172 N 0.90 0.00 0.00 1.13 0.11 -1.79 -1.37 132.00 130.98 3g8b h PRO 172 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3g8b h PRO 172 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3g8b h PRO 172 CO -0.27 0.00 -0.12 0.74 -0.21 0.00 0.00 178.00 178.14 3g8b h PHE 173 N 0.00 0.00 -3.24 0.65 0.04 -1.43 0.46 116.94 113.43 3g8b h PHE 173 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 3g8b h PHE 173 Cb 0.04 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 3g8b h PHE 173 CO 0.00 0.00 -0.06 -0.51 -0.60 0.00 0.00 178.31 177.14 3g8b s LEU 174 N -5.12 4.46 0.58 1.54 1.43 -0.52 -0.86 118.68 120.19 3g8b s LEU 174 Ca 0.08 1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 54.17 3g8b s LEU 174 Cb 0.10 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3g8b s LEU 174 CO 0.65 0.20 1.06 -1.83 0.23 0.00 0.00 176.35 176.66 3g8b s GLU 175 N -0.64 3.34 0.31 1.70 -1.05 -0.10 -4.31 118.70 117.95 3g8b s GLU 175 Ca 0.29 1.27 -0.30 0.00 -0.15 0.00 0.00 54.97 56.08 3g8b s GLU 175 Cb -0.18 -2.03 -0.11 0.00 -0.44 0.00 0.00 34.13 31.36 3g8b s GLU 175 CO 0.17 -0.80 1.58 0.08 0.95 0.00 0.00 175.26 177.24 3g8b s VAL 176 N -2.33 2.05 0.00 1.83 1.01 -1.26 -0.74 120.40 120.95 3g8b s VAL 176 Ca 0.65 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3g8b s VAL 176 Cb -0.17 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3g8b s VAL 176 CO 0.34 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3g8b n GLY 177 N 1.87 2.43 3.47 4.51 0.00 0.13 -5.02 105.19 112.59 3g8b n GLY 177 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3g8b n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g8b n GLY 178 N -2.00 -2.03 3.39 -0.02 0.00 0.08 -4.79 105.19 99.83 3g8b n GLY 178 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 3g8b n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b s ALA 179 N -3.56 -1.25 0.15 4.61 0.00 -0.29 -1.25 121.76 120.17 3g8b s ALA 179 Ca 0.69 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.90 3g8b s ALA 179 Cb -0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3g8b s ALA 179 CO 0.50 -0.27 -0.16 0.00 0.00 0.00 0.00 175.76 175.83 3g8b s ALA 180 N -0.38 2.76 -0.21 0.00 0.00 0.38 -2.33 121.76 121.98 3g8b s ALA 180 Ca -0.05 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.47 3g8b s ALA 180 Cb -0.03 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.50 3g8b s ALA 180 CO 0.03 0.52 -0.14 0.08 0.00 0.00 0.00 175.76 176.24 3g8b s VAL 181 N -1.45 1.97 -0.46 0.00 1.01 0.36 -0.04 120.40 121.78 3g8b s VAL 181 Ca 0.21 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3g8b s VAL 181 Cb -0.09 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.38 3g8b s VAL 181 CO 0.12 0.27 0.62 0.00 0.00 0.00 0.00 175.10 176.11 3g8b s ALA 182 N 1.27 3.36 -0.03 5.51 0.00 0.51 -2.51 121.76 129.87 3g8b s ALA 182 Ca -0.01 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 3g8b s ALA 182 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3g8b s ALA 182 CO -0.09 -1.86 1.20 -1.64 0.00 0.00 0.00 175.76 173.37 3g8b s MET 183 N 2.71 4.37 0.23 0.00 -1.94 -0.61 -1.50 119.30 122.55 3g8b s MET 183 Ca 0.19 1.70 0.03 0.00 -1.71 0.00 0.00 55.69 55.90 3g8b s MET 183 Cb -0.16 -3.51 -0.05 0.00 2.01 0.00 0.00 34.83 33.11 3g8b s MET 183 CO 0.16 -0.40 -0.00 0.15 -0.01 0.00 0.00 175.02 174.91 3g8b s LYS 184 N 1.95 1.32 0.00 2.03 -0.14 0.43 -4.40 119.74 120.93 3g8b s LYS 184 Ca 0.57 -1.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 3g8b s LYS 184 Cb -0.26 -0.59 0.00 0.00 -1.68 0.00 0.00 37.83 35.30 3g8b s LYS 184 CO 0.24 -0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 3g8b n GLY 185 N -0.41 0.49 0.24 -3.33 0.00 -1.26 -1.63 105.19 99.30 3g8b n GLY 185 Ca -0.05 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.41 3g8b n GLY 185 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g8b h PRO 186 N 0.00 0.00 -4.99 1.61 0.11 -1.88 -3.11 132.00 123.75 3g8b h PRO 186 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.54 3g8b h PRO 186 Cb 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 3g8b h PRO 186 CO 0.00 0.16 -0.84 1.03 -0.21 0.00 0.00 178.00 178.14 3g8b s ARG 187 N -4.41 2.03 0.00 1.05 0.52 -1.26 -4.85 118.95 112.04 3g8b s ARG 187 Ca -0.03 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3g8b s ARG 187 Cb 0.14 -1.66 0.00 0.00 0.52 0.00 0.00 34.95 33.96 3g8b s ARG 187 CO 0.64 0.14 0.00 1.33 0.02 0.00 0.00 175.30 177.43 3g8b n VAL 188 N 3.52 0.00 -0.22 3.52 0.24 -1.26 -4.91 118.33 119.22 3g8b n VAL 188 Ca -0.20 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.11 3g8b n VAL 188 Cb 0.52 1.17 0.13 0.00 -1.47 0.00 0.00 33.84 34.20 3g8b n VAL 188 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3g8b h GLU 189 N 0.00 0.39 -0.24 7.34 4.81 -1.98 0.54 114.58 125.43 3g8b h GLU 189 Ca 0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 3g8b h GLU 189 Cb 0.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3g8b h GLU 189 CO 0.00 0.26 -0.24 0.93 -0.73 0.00 0.00 179.01 179.23 3g8b h GLU 190 N 0.40 0.59 -0.20 1.92 5.08 -2.01 -1.38 114.58 119.00 3g8b h GLU 190 Ca 0.34 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3g8b h GLU 190 Cb 0.46 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3g8b h GLU 190 CO -0.35 0.91 -0.10 0.93 -1.00 0.00 0.00 179.01 179.40 3g8b h GLU 191 N 0.30 0.31 0.09 2.33 5.08 -1.78 -3.08 114.58 117.84 3g8b h GLU 191 Ca 0.04 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 3g8b h GLU 191 Cb 0.80 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3g8b h GLU 191 CO 0.06 0.42 -1.18 -0.07 -1.00 0.00 0.00 179.01 177.24 3g8b h LEU 192 N 0.29 0.31 -0.71 1.33 3.38 -0.80 -3.38 115.31 115.74 3g8b h LEU 192 Ca 0.06 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.85 3g8b h LEU 192 Cb 0.37 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 3g8b h LEU 192 CO 0.02 1.26 -0.05 0.00 0.09 0.00 0.00 178.44 179.77 3g8b h ALA 193 N 0.69 0.65 -0.37 1.53 0.00 -1.15 -0.85 119.26 119.76 3g8b h ALA 193 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g8b h ALA 193 Cb 1.92 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3g8b h ALA 193 CO 0.18 -0.42 0.00 -0.35 0.00 0.00 0.00 179.25 178.67 3g8b n PRO 194 N -5.36 2.20 -0.03 0.00 -0.05 -1.26 -4.64 135.00 125.86 3g8b n PRO 194 Ca 0.11 -1.84 -0.14 0.00 -0.05 0.00 0.00 63.50 61.58 3g8b n PRO 194 Cb 0.41 -1.45 -0.11 0.00 -0.05 0.00 0.00 33.50 32.30 3g8b n PRO 194 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 3g8b h LEU 195 N 3.42 0.13 -0.79 1.53 5.85 -1.32 -3.38 115.31 120.75 3g8b h LEU 195 Ca 0.00 -0.73 0.17 0.00 0.84 0.00 0.00 57.88 58.16 3g8b h LEU 195 Cb 0.76 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.61 3g8b h LEU 195 CO 0.00 0.84 -0.10 -0.65 -0.34 0.00 0.00 178.44 178.19 3g8b h PRO 196 N -0.58 0.04 -0.70 5.25 0.11 -1.82 0.14 132.00 134.44 3g8b h PRO 196 Ca -0.01 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3g8b h PRO 196 Cb 0.85 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 3g8b h PRO 196 CO 0.02 0.02 0.46 -1.35 -0.21 0.00 0.00 178.00 176.95 3g8b h PRO 197 N 0.04 0.88 -0.29 1.05 0.11 -1.94 -1.64 132.00 130.20 3g8b h PRO 197 Ca 0.41 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 3g8b h PRO 197 Cb 0.68 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3g8b h PRO 197 CO -0.76 0.58 -0.15 0.00 -0.21 0.00 0.00 178.00 177.47 3g8b h ALA 198 N 1.58 0.41 -0.27 -0.75 0.00 -0.96 -2.79 119.26 116.48 3g8b h ALA 198 Ca 0.26 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3g8b h ALA 198 Cb -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3g8b h ALA 198 CO -0.06 0.31 -0.03 -0.07 0.00 0.00 0.00 179.25 179.40 3g8b h LEU 199 N 0.37 -0.16 -0.52 0.00 3.38 -0.71 -2.13 115.31 115.54 3g8b h LEU 199 Ca 0.07 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3g8b h LEU 199 Cb 0.67 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3g8b h LEU 199 CO 0.04 -0.05 0.27 -0.08 0.09 0.00 0.00 178.44 178.72 3g8b h GLU 200 N 0.05 0.51 -0.04 1.13 4.81 -1.23 0.24 114.58 120.05 3g8b h GLU 200 Ca 0.13 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3g8b h GLU 200 Cb 0.18 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3g8b h GLU 200 CO -0.24 0.34 0.04 0.00 -0.73 0.00 0.00 179.01 178.41 3g8b h ARG 201 N 0.53 0.00 -0.00 1.92 3.08 -1.18 0.29 114.38 119.01 3g8b h ARG 201 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3g8b h ARG 201 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3g8b h ARG 201 CO -0.15 0.00 -0.30 1.28 -1.07 0.00 0.00 179.97 179.73 3g8b n LEU 202 N -4.18 0.63 0.00 3.04 4.77 0.30 -4.45 117.00 117.11 3g8b n LEU 202 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3g8b n LEU 202 Cb 0.13 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3g8b n LEU 202 CO 0.31 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3g8b n GLY 203 N 1.40 0.62 3.74 -0.72 0.00 0.09 -3.99 105.19 106.33 3g8b n GLY 203 Ca 0.10 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 3g8b n GLY 203 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g8b s GLY 204 N -2.66 2.57 0.09 -0.02 0.00 0.59 -1.25 107.32 106.63 3g8b s GLY 204 Ca 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 44.72 42.97 3g8b s GLY 204 CO 0.00 -2.04 0.37 1.09 0.00 0.00 0.00 173.10 172.52 3g8b s ARG 205 N -3.90 0.96 -0.13 2.90 1.70 -0.19 -3.04 118.95 117.26 3g8b s ARG 205 Ca 0.29 -0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 54.65 3g8b s ARG 205 Cb 0.04 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 3g8b s ARG 205 CO 0.16 -0.35 1.22 -1.17 -1.08 0.00 0.00 175.30 174.09 3g8b s LEU 206 N -2.48 4.21 0.00 -1.89 2.96 -1.26 -0.81 118.68 119.41 3g8b s LEU 206 Ca -0.00 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 3g8b s LEU 206 Cb 0.01 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3g8b s LEU 206 CO -0.08 -0.69 0.00 0.61 -1.32 0.00 0.00 176.35 174.87 3g8b n GLY 207 N 3.50 1.44 3.77 7.98 0.00 0.46 -4.88 105.19 117.46 3g8b n GLY 207 Ca 0.13 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3g8b n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g8b s GLU 208 N 2.55 4.17 -0.62 1.61 2.02 -1.26 -4.75 118.70 122.42 3g8b s GLU 208 Ca 0.00 2.41 -0.03 0.00 0.02 0.00 0.00 54.97 57.37 3g8b s GLU 208 Cb 0.00 -2.98 0.16 0.00 0.10 0.00 0.00 34.13 31.41 3g8b s GLU 208 CO 0.00 -0.42 0.44 0.08 0.02 0.00 0.00 175.26 175.38 3g8b s VAL 209 N -1.14 3.74 -0.51 2.63 1.01 -1.26 -1.09 120.40 123.79 3g8b s VAL 209 Ca 0.52 -2.92 -0.27 0.00 0.00 0.00 0.00 61.98 59.31 3g8b s VAL 209 Cb -0.43 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3g8b s VAL 209 CO 0.58 -0.88 1.03 -0.22 0.00 0.00 0.00 175.10 175.62 3g8b s LEU 210 N -0.02 3.82 -0.01 3.92 0.20 -0.50 -4.86 118.68 121.23 3g8b s LEU 210 Ca 0.17 0.11 -0.22 0.00 0.69 0.00 0.00 54.13 54.88 3g8b s LEU 210 Cb -0.20 -3.20 -0.05 0.00 -0.43 0.00 0.00 46.19 42.31 3g8b s LEU 210 CO -0.04 -1.22 0.64 0.00 -0.29 0.00 0.00 176.35 175.44 3g8b s ALA 211 N 4.20 3.44 0.23 5.97 0.00 -1.26 -1.03 121.76 133.30 3g8b s ALA 211 Ca 0.40 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 3g8b s ALA 211 Cb -0.09 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3g8b s ALA 211 CO 0.26 0.09 0.47 -0.48 0.00 0.00 0.00 175.76 176.10 3g8b s LEU 212 N 0.07 0.34 -0.15 0.00 2.34 -0.69 -5.00 118.68 115.60 3g8b s LEU 212 Ca 0.33 -0.84 -0.13 0.00 0.06 0.00 0.00 54.13 53.56 3g8b s LEU 212 Cb -0.18 1.79 -0.05 0.00 -0.56 0.00 0.00 46.19 47.19 3g8b s LEU 212 CO 0.18 -1.10 0.26 -1.58 -1.06 0.00 0.00 176.35 173.05 3g8b s GLN 213 N -3.98 4.11 -0.24 1.48 2.00 -1.26 -0.38 119.66 121.39 3g8b s GLN 213 Ca 0.19 0.05 -0.29 0.00 -2.00 0.00 0.00 55.36 53.32 3g8b s GLN 213 Cb -0.00 -3.38 -0.02 0.00 0.80 0.00 0.00 33.01 30.41 3g8b s GLN 213 CO 0.06 0.36 1.66 -1.17 -0.50 0.00 0.00 175.29 175.70 3g8b s LEU 214 N 0.11 3.81 0.40 3.68 2.96 0.89 -4.93 118.68 125.61 3g8b s LEU 214 Ca 0.16 1.56 -0.25 0.00 -0.22 0.00 0.00 54.13 55.38 3g8b s LEU 214 Cb -0.13 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.92 3g8b s LEU 214 CO 0.04 -1.36 1.03 -2.65 -1.32 0.00 0.00 176.35 172.09 3g8b n PRO 215 N 7.84 1.41 -1.28 0.98 -0.02 -1.26 -2.43 135.00 140.24 3g8b n PRO 215 Ca 0.20 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3g8b n PRO 215 Cb 0.45 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 3g8b n PRO 215 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g8b n LEU 216 N 0.60 -0.40 0.00 2.45 4.77 -1.26 -4.76 117.00 118.39 3g8b n LEU 216 Ca 0.09 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3g8b n LEU 216 Cb 0.38 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 3g8b n LEU 216 CO 0.58 -0.79 -0.34 -1.54 -1.33 0.00 0.00 177.39 173.97 3g8b n SER 217 N -0.61 3.21 0.00 -1.43 3.41 -1.02 -5.03 113.62 112.15 3g8b n SER 217 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3g8b n SER 217 Cb 0.46 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3g8b n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g8b n GLY 218 N 2.33 0.52 3.42 5.00 0.00 -1.23 -5.05 105.19 110.18 3g8b n GLY 218 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3g8b n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g8b s GLU 219 N -0.95 2.11 0.37 1.61 2.02 -1.26 -5.00 118.70 117.60 3g8b s GLU 219 Ca 0.00 -0.94 -0.11 0.00 0.02 0.00 0.00 54.97 53.93 3g8b s GLU 219 Cb 0.00 -2.16 -0.07 0.00 0.10 0.00 0.00 34.13 32.00 3g8b s GLU 219 CO 0.00 0.55 0.74 0.00 0.02 0.00 0.00 175.26 176.58 3g8b s ALA 220 N -0.82 3.36 0.08 5.21 0.00 -1.26 -0.08 121.76 128.25 3g8b s ALA 220 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 3g8b s ALA 220 Cb -0.10 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3g8b s ALA 220 CO 0.03 0.10 0.05 1.03 0.00 0.00 0.00 175.76 176.96 3g8b s ARG 221 N -3.60 0.75 -0.05 0.00 1.81 0.49 -3.06 118.95 115.28 3g8b s ARG 221 Ca 0.51 -1.21 -0.00 0.00 -1.72 0.00 0.00 55.73 53.31 3g8b s ARG 221 Cb -0.10 0.25 0.03 0.00 -0.45 0.00 0.00 34.95 34.67 3g8b s ARG 221 CO 0.28 -0.19 -0.01 -1.01 -0.68 0.00 0.00 175.30 173.70 3g8b s HIS 222 N -3.93 0.56 -0.44 -0.53 3.76 -0.64 -1.70 115.29 112.36 3g8b s HIS 222 Ca 0.10 -0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 54.76 3g8b s HIS 222 Cb 0.07 -0.65 0.05 0.00 1.11 0.00 0.00 32.58 33.15 3g8b s HIS 222 CO -0.07 -0.24 0.34 -0.51 -0.85 0.00 0.00 174.74 173.41 3g8b s LEU 223 N 1.52 5.35 -0.41 0.89 1.43 -0.20 -0.43 118.68 126.82 3g8b s LEU 223 Ca -0.02 -1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 51.78 3g8b s LEU 223 Cb -0.13 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3g8b s LEU 223 CO -0.03 -0.54 0.53 -0.69 0.23 0.00 0.00 176.35 175.85 3g8b s VAL 224 N 1.66 4.97 -0.16 -1.59 1.01 -0.56 -1.41 120.40 124.32 3g8b s VAL 224 Ca 0.04 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3g8b s VAL 224 Cb -0.22 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3g8b s VAL 224 CO 0.08 -0.45 0.77 -0.69 0.00 0.00 0.00 175.10 174.82 3g8b s VAL 225 N 2.45 4.93 -0.34 2.92 1.01 -0.25 -0.36 120.40 130.77 3g8b s VAL 225 Ca 0.17 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 3g8b s VAL 225 Cb -0.16 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.18 3g8b s VAL 225 CO 0.16 0.08 0.09 -0.76 0.00 0.00 0.00 175.10 174.67 3g8b s LEU 226 N 1.87 4.31 0.16 3.92 1.43 0.95 -0.41 118.68 130.90 3g8b s LEU 226 Ca 0.36 -1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 3g8b s LEU 226 Cb -0.17 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 3g8b s LEU 226 CO 0.13 -0.33 0.67 -1.61 0.23 0.00 0.00 176.35 175.44 3g8b s GLU 227 N 1.36 4.28 -0.55 1.70 2.02 0.01 -0.47 118.70 127.05 3g8b s GLU 227 Ca -0.02 0.85 -0.20 0.00 0.02 0.00 0.00 54.97 55.63 3g8b s GLU 227 Cb -0.20 -3.08 0.07 0.00 0.10 0.00 0.00 34.13 31.02 3g8b s GLU 227 CO 0.02 0.52 0.69 0.21 0.02 0.00 0.00 175.26 176.72 3g8b s LYS 228 N -1.52 3.11 -0.13 1.61 2.47 -0.38 -1.02 119.74 123.87 3g8b s LYS 228 Ca 0.36 -1.00 0.16 0.00 -1.56 0.00 0.00 55.97 53.94 3g8b s LYS 228 Cb -0.19 -4.16 -0.24 0.00 -1.46 0.00 0.00 37.83 31.78 3g8b s LYS 228 CO 0.21 -1.39 0.31 -2.37 0.16 0.00 0.00 175.35 172.28 3g8b n THR 229 N 5.65 1.44 -3.81 3.43 5.66 -0.38 0.21 114.28 126.47 3g8b n THR 229 Ca -0.07 -0.83 -0.09 0.00 -3.05 0.00 0.00 64.05 60.01 3g8b n THR 229 Cb 0.44 -0.67 -0.06 0.00 -1.55 0.00 0.00 70.33 68.50 3g8b n THR 229 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g8b s ALA 230 N -2.56 -0.42 0.31 1.79 0.00 -0.55 -4.80 121.76 115.53 3g8b s ALA 230 Ca -0.08 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 3g8b s ALA 230 Cb 0.07 0.62 -0.13 0.00 0.00 0.00 0.00 23.12 23.69 3g8b s ALA 230 CO 0.83 -0.58 1.34 -2.30 0.00 0.00 0.00 175.76 175.05 3g8b n PRO 231 N -0.14 2.15 -2.32 0.00 -0.02 -1.26 -4.43 135.00 128.98 3g8b n PRO 231 Ca -0.14 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3g8b n PRO 231 Cb 0.63 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3g8b n PRO 231 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g8b s THR 232 N -0.74 3.54 0.71 3.45 2.01 -1.26 -4.50 115.64 118.86 3g8b s THR 232 Ca 0.59 1.21 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 3g8b s THR 232 Cb -0.58 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.18 3g8b s THR 232 CO 0.58 0.16 1.15 -2.84 -0.69 0.00 0.00 174.62 172.98 3g8b s PRO 233 N 0.25 2.36 0.59 4.92 0.02 -1.26 -4.90 135.00 136.99 3g8b s PRO 233 Ca 0.57 1.54 0.29 0.00 0.02 0.00 0.00 61.00 63.41 3g8b s PRO 233 Cb -0.34 -1.88 1.58 0.00 0.02 0.00 0.00 34.50 33.88 3g8b s PRO 233 CO 0.35 -1.62 2.01 -1.00 -0.33 0.00 0.00 177.00 176.41 3g8b h PRO 234 N -0.31 0.00 -0.04 5.54 0.13 -1.98 -2.40 132.00 132.94 3g8b h PRO 234 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3g8b h PRO 234 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3g8b h PRO 234 CO 0.51 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.33 3g8b h ALA 235 N 1.63 1.64 -4.05 -0.56 0.00 -1.99 -3.44 119.26 112.49 3g8b h ALA 235 Ca 0.14 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.39 3g8b h ALA 235 Cb 0.78 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.33 3g8b h ALA 235 CO -0.00 -0.06 -0.86 0.71 0.00 0.00 0.00 179.25 179.03 3g8b s TYR 236 N -4.68 2.18 0.56 0.00 2.02 -0.90 -3.68 117.35 112.83 3g8b s TYR 236 Ca -0.05 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 3g8b s TYR 236 Cb 0.15 -1.25 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 3g8b s TYR 236 CO 0.56 0.21 0.95 -1.25 -1.57 0.00 0.00 175.55 174.45 3g8b s PRO 237 N -1.61 3.67 0.91 -1.71 0.04 -1.26 -4.83 135.00 130.21 3g8b s PRO 237 Ca 0.11 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 3g8b s PRO 237 Cb -0.10 -2.17 0.14 0.00 0.04 0.00 0.00 34.50 32.41 3g8b s PRO 237 CO 0.04 -0.40 1.20 1.03 0.04 0.00 0.00 177.00 178.91 3g8b s ARG 238 N -4.77 1.14 0.90 4.56 0.52 -1.24 -5.00 118.95 115.07 3g8b s ARG 238 Ca 0.54 -0.00 -0.14 0.00 -0.52 0.00 0.00 55.73 55.61 3g8b s ARG 238 Cb -0.11 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.51 3g8b s ARG 238 CO 0.46 -2.14 0.38 0.54 0.02 0.00 0.00 175.30 174.56 3g8b n ARG 239 N -3.67 -0.15 -1.64 3.54 1.74 -1.26 -4.71 116.66 110.52 3g8b n ARG 239 Ca 0.10 -0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.70 3g8b n ARG 239 Cb 0.60 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 3g8b n ARG 239 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3g8b n PRO 240 N -1.31 1.75 0.00 5.56 -0.02 -1.26 -1.47 135.00 138.25 3g8b n PRO 240 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3g8b n PRO 240 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3g8b n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g8b n GLY 241 N 2.97 3.20 0.18 -1.23 0.00 -1.26 -4.90 105.19 104.14 3g8b n GLY 241 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 3g8b n GLY 241 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g8b h VAL 242 N 0.00 1.35 -0.65 1.61 2.07 -1.55 -1.64 116.25 117.44 3g8b h VAL 242 Ca 0.00 -1.76 0.06 0.00 0.82 0.00 0.00 66.70 65.82 3g8b h VAL 242 Cb 0.00 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3g8b h VAL 242 CO 0.00 0.53 0.35 -0.65 0.02 0.00 0.00 177.57 177.83 3g8b h PRO 243 N 0.18 0.63 -0.26 1.57 0.11 -1.83 0.35 132.00 132.76 3g8b h PRO 243 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3g8b h PRO 243 Cb 1.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3g8b h PRO 243 CO 0.10 0.42 0.13 1.49 -0.21 0.00 0.00 178.00 179.93 3g8b h GLU 244 N 0.65 0.37 0.00 1.05 4.81 -1.92 -2.12 114.58 117.42 3g8b h GLU 244 Ca 0.30 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.31 3g8b h GLU 244 Cb 0.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3g8b h GLU 244 CO -0.19 0.35 -0.78 -0.09 -0.73 0.00 0.00 179.01 177.57 3g8b h ARG 245 N 0.29 0.00 -2.06 1.92 2.43 -0.97 -3.38 114.38 112.61 3g8b h ARG 245 Ca 0.09 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.69 3g8b h ARG 245 Cb 0.10 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.25 3g8b h ARG 245 CO -0.01 0.78 -1.02 0.72 -1.51 0.00 0.00 179.97 178.93 3g8b n HIS 246 N -3.46 0.24 -1.71 2.20 8.25 0.12 -5.08 115.22 115.79 3g8b n HIS 246 Ca -0.00 -3.64 -0.38 0.00 -0.26 0.00 0.00 57.72 53.44 3g8b n HIS 246 Cb 0.79 -0.35 0.06 0.00 1.12 0.00 0.00 29.99 31.61 3g8b n HIS 246 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3g8b n PRO 247 N 1.40 1.29 0.09 -0.41 -0.02 -0.80 -4.64 135.00 131.91 3g8b n PRO 247 Ca 0.23 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.30 3g8b n PRO 247 Cb 0.51 -2.47 0.43 0.00 -0.02 0.00 0.00 33.50 31.95 3g8b n PRO 247 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g8b n LEU 248 N -1.30 0.46 0.00 2.45 4.77 -1.26 -5.05 117.00 117.07 3g8b n LEU 248 Ca 0.13 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 3g8b n LEU 248 Cb 0.46 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3g8b n LEU 248 CO 0.50 -0.48 0.00 0.00 -1.33 0.00 0.00 177.39 176.08