#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0b s SER 3 N 0.00 5.52 0.27 1.96 1.04 -1.26 -4.90 113.70 116.33 1b0b s SER 3 Ca 0.00 1.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.76 1b0b s SER 3 Cb 0.00 -2.24 0.41 0.00 0.10 0.00 0.00 66.02 64.29 1b0b s SER 3 CO 0.00 -1.32 1.90 0.00 0.98 0.00 0.00 173.24 174.80 1b0b h ALA 4 N -0.64 1.40 -0.37 5.32 0.00 -2.02 -0.68 119.26 122.28 1b0b h ALA 4 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1b0b h ALA 4 Cb 1.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b0b h ALA 4 CO 0.61 0.48 0.07 0.00 0.00 0.00 0.00 179.25 180.41 1b0b h ALA 5 N 1.45 0.50 -0.46 0.00 0.00 -1.99 -0.24 119.26 118.53 1b0b h ALA 5 Ca 0.40 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1b0b h ALA 5 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1b0b h ALA 5 CO -0.14 0.19 0.28 1.96 0.00 0.00 0.00 179.25 181.54 1b0b h GLN 6 N 0.46 0.54 -0.42 0.00 4.20 -1.77 -1.31 115.11 116.81 1b0b h GLN 6 Ca 0.11 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1b0b h GLN 6 Cb 0.34 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1b0b h GLN 6 CO 0.01 0.36 0.25 0.87 -0.67 0.00 0.00 178.83 179.65 1b0b h LYS 7 N 0.56 0.49 -0.51 1.46 1.57 -0.91 -1.21 116.57 118.02 1b0b h LYS 7 Ca 0.18 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1b0b h LYS 7 Cb -0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1b0b h LYS 7 CO -0.07 0.33 0.31 -0.44 -0.57 0.00 0.00 179.45 179.01 1b0b h ASP 8 N 0.51 0.51 -0.53 0.86 3.32 -0.88 -0.27 116.42 119.94 1b0b h ASP 8 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1b0b h ASP 8 Cb 0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1b0b h ASP 8 CO -0.07 0.36 0.32 -1.13 -1.72 0.00 0.00 179.24 176.99 1b0b h ASN 9 N 0.62 0.63 -0.35 6.45 -0.73 -1.01 -1.20 115.58 119.99 1b0b h ASN 9 Ca 0.21 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 1b0b h ASN 9 Cb 0.01 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 1b0b h ASN 9 CO -0.09 0.50 0.22 0.58 -0.37 0.00 0.00 177.43 178.27 1b0b h VAL 10 N 0.71 1.11 -0.51 2.57 2.07 -0.96 0.10 116.25 121.34 1b0b h VAL 10 Ca 0.19 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1b0b h VAL 10 Cb -0.02 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1b0b h VAL 10 CO -0.04 0.11 0.31 0.50 0.02 0.00 0.00 177.57 178.47 1b0b h LYS 11 N 0.46 0.70 -0.15 1.57 3.64 -0.91 0.33 116.57 122.21 1b0b h LYS 11 Ca 0.13 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1b0b h LYS 11 Cb -0.00 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1b0b h LYS 11 CO -0.02 0.52 -0.62 1.03 -2.27 0.00 0.00 179.45 178.08 1b0b h SER 12 N 0.69 0.80 0.15 4.20 0.87 -1.12 -1.68 113.55 117.46 1b0b h SER 12 Ca 0.18 -0.62 -0.15 0.00 -1.23 0.00 0.00 61.79 59.98 1b0b h SER 12 Cb -0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1b0b h SER 12 CO -0.03 1.29 -0.53 0.28 -0.53 0.00 0.00 176.83 177.30 1b0b h SER 13 N 0.36 0.46 -0.87 6.23 0.02 -0.76 -2.78 113.55 116.22 1b0b h SER 13 Ca -0.04 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1b0b h SER 13 Cb 1.25 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1b0b h SER 13 CO 0.13 0.90 0.58 -0.25 -1.14 0.00 0.00 176.83 177.05 1b0b h TRP 14 N 0.33 1.09 -0.98 3.45 2.91 -0.87 -0.78 115.95 121.10 1b0b h TRP 14 Ca 0.01 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.11 1b0b h TRP 14 Cb 1.03 -0.37 -0.06 0.00 -0.51 0.00 0.00 29.16 29.25 1b0b h TRP 14 CO 0.03 0.68 0.63 0.00 -1.03 0.00 0.00 178.44 178.76 1b0b h ALA 15 N 1.46 1.34 -0.15 2.65 0.00 -1.04 0.22 119.26 123.74 1b0b h ALA 15 Ca 0.32 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1b0b h ALA 15 Cb -0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 1b0b h ALA 15 CO -0.07 0.44 -0.14 0.87 0.00 0.00 0.00 179.25 180.35 1b0b h LYS 16 N 1.17 0.37 -0.64 0.00 1.57 -1.06 -2.32 116.57 115.65 1b0b h LYS 16 Ca 0.42 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1b0b h LYS 16 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1b0b h LYS 16 CO -0.16 0.74 0.11 0.00 -0.57 0.00 0.00 179.45 179.57 1b0b h ALA 17 N 0.62 0.84 -0.89 3.86 0.00 -0.82 -2.84 119.26 120.02 1b0b h ALA 17 Ca 0.03 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1b0b h ALA 17 Cb 0.67 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1b0b h ALA 17 CO 0.04 0.60 0.57 0.77 0.00 0.00 0.00 179.25 181.22 1b0b h SER 18 N 0.96 0.92 -0.06 0.00 0.02 -0.57 0.12 113.55 114.94 1b0b h SER 18 Ca 0.19 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1b0b h SER 18 Cb 0.43 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1b0b h SER 18 CO 0.01 0.61 -0.02 0.00 -1.14 0.00 0.00 176.83 176.29 1b0b h ALA 19 N 1.39 1.70 -0.55 3.77 0.00 -1.18 -2.35 119.26 122.05 1b0b h ALA 19 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1b0b h ALA 19 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1b0b h ALA 19 CO -0.15 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1b0b n ALA 20 N -2.50 2.40 0.29 0.00 0.00 -0.60 -4.67 120.51 115.43 1b0b n ALA 20 Ca -0.01 -1.13 0.18 0.00 0.00 0.00 0.00 53.44 52.48 1b0b n ALA 20 Cb 0.17 -0.90 0.74 0.00 0.00 0.00 0.00 19.45 19.46 1b0b n ALA 20 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1b0b h TRP 21 N 4.46 0.00 0.00 0.00 2.91 -0.44 0.21 115.95 123.09 1b0b h TRP 21 Ca 0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 1b0b h TRP 21 Cb 1.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1b0b h TRP 21 CO 0.36 0.00 -0.01 0.78 -1.03 0.00 0.00 178.44 178.54 1b0b h GLY 22 N 1.85 0.00 0.00 2.65 0.00 -1.83 0.30 103.07 106.04 1b0b h GLY 22 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1b0b h GLY 22 CO 0.00 0.00 -1.59 -1.30 0.00 0.00 0.00 176.54 173.65 1b0b n THR 23 N -3.56 0.60 0.08 4.70 -2.24 -0.53 -4.69 114.28 108.64 1b0b n THR 23 Ca -0.03 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.46 1b0b n THR 23 Cb 0.10 -0.86 0.13 0.00 -2.10 0.00 0.00 70.33 67.60 1b0b n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b0b h ALA 24 N 0.04 0.88 -0.05 6.98 0.00 -0.95 -3.18 119.26 122.98 1b0b h ALA 24 Ca -0.23 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1b0b h ALA 24 Cb 1.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1b0b h ALA 24 CO -0.03 0.71 0.02 0.78 0.00 0.00 0.00 179.25 180.73 1b0b h GLY 25 N 1.43 0.08 0.86 0.00 0.00 -1.15 0.80 103.07 105.09 1b0b h GLY 25 Ca -0.00 -0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.39 1b0b h GLY 25 CO 0.09 0.04 0.50 -2.55 0.00 0.00 0.00 176.54 174.62 1b0b h PRO 26 N -0.07 0.64 -0.51 4.80 0.11 -1.75 -1.06 132.00 134.16 1b0b h PRO 26 Ca 0.02 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1b0b h PRO 26 Cb 0.15 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1b0b h PRO 26 CO -0.00 0.43 -0.15 0.93 -0.21 0.00 0.00 178.00 178.99 1b0b h GLU 27 N 0.66 1.00 -0.09 1.05 4.39 -1.33 -1.49 114.58 118.76 1b0b h GLU 27 Ca 0.35 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1b0b h GLU 27 Cb 0.48 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1b0b h GLU 27 CO -0.13 1.07 0.06 0.35 -1.16 0.00 0.00 179.01 179.19 1b0b h PHE 28 N 0.88 0.11 -1.00 4.33 3.57 -0.08 -1.18 116.94 123.57 1b0b h PHE 28 Ca 0.13 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1b0b h PHE 28 Cb 0.72 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 1b0b h PHE 28 CO 0.05 0.08 0.65 0.74 -2.23 0.00 0.00 178.31 177.60 1b0b h PHE 29 N 0.11 1.23 -0.29 0.41 0.04 -1.08 -0.13 116.94 117.24 1b0b h PHE 29 Ca 0.03 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1b0b h PHE 29 Cb -0.00 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 37.72 1b0b h PHE 29 CO -0.07 0.72 -0.13 0.52 -0.60 0.00 0.00 178.31 178.75 1b0b h MET 30 N 1.28 0.50 -0.59 1.51 2.86 -0.88 0.18 114.93 119.79 1b0b h MET 30 Ca 0.39 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1b0b h MET 30 Cb -0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1b0b h MET 30 CO -0.11 0.63 0.07 0.00 1.06 0.00 0.00 176.91 178.55 1b0b h ALA 31 N 1.40 0.79 -0.14 6.32 0.00 -0.43 0.13 119.26 127.33 1b0b h ALA 31 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1b0b h ALA 31 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1b0b h ALA 31 CO 0.03 0.56 0.07 1.25 0.00 0.00 0.00 179.25 181.16 1b0b h LEU 32 N 0.90 0.18 -0.65 0.00 5.85 -0.54 -1.36 115.31 119.68 1b0b h LEU 32 Ca 0.18 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1b0b h LEU 32 Cb 0.46 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1b0b h LEU 32 CO 0.02 0.25 0.19 -0.26 -0.34 0.00 0.00 178.44 178.30 1b0b h PHE 33 N 0.10 1.06 -0.22 1.25 0.04 -0.45 -0.16 116.94 118.56 1b0b h PHE 33 Ca 0.05 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1b0b h PHE 33 Cb 0.12 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1b0b h PHE 33 CO -0.03 0.86 -0.13 -0.44 -0.60 0.00 0.00 178.31 177.98 1b0b h ASP 34 N 0.95 0.34 0.95 2.17 3.32 -0.63 -3.13 116.42 120.39 1b0b h ASP 34 Ca 0.21 -0.08 -0.22 0.00 0.02 0.00 0.00 57.03 56.96 1b0b h ASP 34 Cb 0.31 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1b0b h ASP 34 CO -0.00 0.50 -1.07 0.00 -1.72 0.00 0.00 179.24 176.95 1b0b h ALA 35 N 1.54 0.39 -2.56 3.45 0.00 -0.93 -3.42 119.26 117.72 1b0b h ALA 35 Ca 0.07 -0.96 -0.59 0.00 0.00 0.00 0.00 54.91 53.43 1b0b h ALA 35 Cb 0.43 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 17.73 1b0b h ALA 35 CO 0.02 1.28 -0.87 -1.01 0.00 0.00 0.00 179.25 178.67 1b0b s HIS 36 N -2.70 0.95 0.52 0.00 3.76 -0.10 -4.99 115.29 112.73 1b0b s HIS 36 Ca 0.00 -1.89 0.17 0.00 -0.15 0.00 0.00 55.06 53.19 1b0b s HIS 36 Cb 0.10 -1.01 1.29 0.00 1.11 0.00 0.00 32.58 34.07 1b0b s HIS 36 CO 0.82 -0.82 2.14 0.22 -0.85 0.00 0.00 174.74 176.25 1b0b h ASP 37 N 6.60 0.00 0.71 1.40 3.58 -1.82 -0.87 116.42 126.03 1b0b h ASP 37 Ca 0.11 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 1b0b h ASP 37 Cb 0.95 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1b0b h ASP 37 CO 0.31 0.00 -0.26 -2.24 -2.88 0.00 0.00 179.24 174.18 1b0b h ASP 38 N 0.00 0.00 -0.23 2.28 2.03 -1.94 -1.04 116.42 117.52 1b0b h ASP 38 Ca 0.02 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.25 1b0b h ASP 38 Cb 0.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1b0b h ASP 38 CO -0.00 0.26 -0.15 0.58 -1.03 0.00 0.00 179.24 178.90 1b0b h VAL 39 N 0.00 1.31 -0.37 4.15 2.07 -1.51 -2.99 116.25 118.91 1b0b h VAL 39 Ca -0.00 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1b0b h VAL 39 Cb 0.68 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1b0b h VAL 39 CO 0.03 0.39 0.21 0.15 0.02 0.00 0.00 177.57 178.37 1b0b h PHE 40 N 0.20 0.48 -0.56 1.57 3.57 -1.18 -2.21 116.94 118.81 1b0b h PHE 40 Ca 0.05 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1b0b h PHE 40 Cb 0.67 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1b0b h PHE 40 CO 0.07 0.33 0.37 0.00 -2.23 0.00 0.00 178.31 176.85 1b0b h ALA 41 N 1.73 1.60 0.00 2.41 0.00 -1.06 0.46 119.26 124.40 1b0b h ALA 41 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b0b h ALA 41 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1b0b h ALA 41 CO -0.02 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.22 1b0b n LYS 42 N -4.45 0.07 -0.45 0.00 4.76 -0.83 -2.11 118.16 115.15 1b0b n LYS 42 Ca 0.05 0.29 0.11 0.00 -2.87 0.00 0.00 58.31 55.89 1b0b n LYS 42 Cb 0.05 -1.63 0.33 0.00 -1.84 0.00 0.00 35.03 31.94 1b0b n LYS 42 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1b0b n PHE 43 N -1.77 1.15 0.36 2.13 3.72 0.15 -4.50 117.46 118.69 1b0b n PHE 43 Ca 0.03 -0.52 0.14 0.00 -0.05 0.00 0.00 57.45 57.05 1b0b n PHE 43 Cb 0.21 -0.08 0.46 0.00 -0.94 0.00 0.00 39.48 39.13 1b0b n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1b0b h SER 44 N 4.22 0.00 -0.01 4.37 4.64 -1.45 -1.27 113.55 124.04 1b0b h SER 44 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1b0b h SER 44 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1b0b h SER 44 CO 0.08 0.00 -0.62 1.23 -0.87 0.00 0.00 176.83 176.64 1b0b h GLY 45 N 3.05 0.49 0.47 -0.77 0.00 -1.83 -1.65 103.07 102.84 1b0b h GLY 45 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 47.33 46.53 1b0b h GLY 45 CO 0.00 0.75 -0.10 -2.00 0.00 0.00 0.00 176.54 175.18 1b0b h LEU 46 N -0.05 -0.34 -1.00 3.11 5.85 -1.73 -1.91 115.31 119.24 1b0b h LEU 46 Ca -0.07 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1b0b h LEU 46 Cb 1.33 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1b0b h LEU 46 CO 0.12 -0.13 0.00 0.49 -0.34 0.00 0.00 178.44 178.58 1b0b n PHE 47 N -5.26 0.36 -4.07 1.25 3.72 -0.54 -4.92 117.46 108.00 1b0b n PHE 47 Ca -0.02 -0.16 -0.29 0.00 -0.05 0.00 0.00 57.45 56.93 1b0b n PHE 47 Cb 0.18 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1b0b n PHE 47 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1b0b n SER 48 N 0.16 -0.90 0.00 4.37 7.64 -0.72 -2.01 113.62 122.16 1b0b n SER 48 Ca 0.08 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.91 1b0b n SER 48 Cb 0.25 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1b0b n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b0b n GLY 49 N -1.92 1.63 3.74 0.23 0.00 -0.69 -4.99 105.19 103.21 1b0b n GLY 49 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1b0b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0b s ALA 50 N -3.13 2.36 0.48 4.61 0.00 -0.85 -4.99 121.76 120.24 1b0b s ALA 50 Ca 0.00 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 1b0b s ALA 50 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1b0b s ALA 50 CO 0.00 -1.47 1.10 0.00 0.00 0.00 0.00 175.76 175.39 1b0b s ALA 51 N -1.89 2.90 0.30 0.00 0.00 -1.26 -4.93 121.76 116.87 1b0b s ALA 51 Ca 0.74 0.78 0.05 0.00 0.00 0.00 0.00 51.96 53.53 1b0b s ALA 51 Cb -0.28 -3.32 0.71 0.00 0.00 0.00 0.00 23.12 20.23 1b0b s ALA 51 CO 0.39 -0.51 1.76 -0.22 0.00 0.00 0.00 175.76 177.18 1b0b h LYS 52 N 1.80 0.68 0.00 0.00 3.64 -2.00 -0.29 116.57 120.40 1b0b h LYS 52 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1b0b h LYS 52 Cb 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1b0b h LYS 52 CO 0.59 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 178.63 1b0b n GLY 53 N -1.33 -0.55 0.15 5.01 0.00 -1.26 -2.52 105.19 104.70 1b0b n GLY 53 Ca 0.22 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1b0b n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b0b n THR 54 N -0.99 0.00 0.48 2.61 -2.24 -0.12 -4.78 114.28 109.24 1b0b n THR 54 Ca 0.13 -0.37 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1b0b n THR 54 Cb 0.06 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1b0b n THR 54 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1b0b n VAL 55 N -0.53 0.29 -0.17 2.28 0.24 -1.05 -4.46 118.33 114.93 1b0b n VAL 55 Ca 0.03 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 62.00 1b0b n VAL 55 Cb 0.18 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.63 1b0b n VAL 55 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1b0b h LYS 56 N 0.00 0.34 -0.95 7.34 3.64 -1.87 -2.53 116.57 122.54 1b0b h LYS 56 Ca 0.00 -0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.91 1b0b h LYS 56 Cb 0.78 -0.08 -0.27 0.00 -0.41 0.00 0.00 32.23 32.26 1b0b h LYS 56 CO 0.00 0.22 0.57 0.09 -2.27 0.00 0.00 179.45 178.06 1b0b n ASN 57 N -5.02 3.99 -4.89 4.20 5.03 -1.26 -4.75 115.26 112.55 1b0b n ASN 57 Ca 0.06 -3.51 -0.29 0.00 0.87 0.00 0.00 54.58 51.71 1b0b n ASN 57 Cb 0.22 -0.82 -0.01 0.00 -1.02 0.00 0.00 39.78 38.15 1b0b n ASN 57 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1b0b s THR 58 N -3.20 4.84 0.38 3.41 -4.23 -0.95 -4.97 115.64 110.91 1b0b s THR 58 Ca 0.56 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.58 1b0b s THR 58 Cb 0.47 -3.83 0.18 0.00 1.34 0.00 0.00 72.50 70.66 1b0b s THR 58 CO 0.11 -0.79 1.93 -0.65 -0.54 0.00 0.00 174.62 174.68 1b0b h PRO 59 N 0.46 0.38 -0.77 3.99 0.11 -1.94 -2.40 132.00 131.83 1b0b h PRO 59 Ca -0.47 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 1b0b h PRO 59 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1b0b h PRO 59 CO 0.62 0.42 0.27 0.93 -0.21 0.00 0.00 178.00 180.04 1b0b h GLU 60 N 0.37 1.17 -0.52 1.05 3.07 -1.92 -1.37 114.58 116.43 1b0b h GLU 60 Ca 0.08 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 1b0b h GLU 60 Cb 0.28 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1b0b h GLU 60 CO 0.01 0.98 0.13 1.98 -1.40 0.00 0.00 179.01 180.70 1b0b h MET 61 N 1.13 0.83 -0.90 2.33 4.05 -1.71 0.59 114.93 121.25 1b0b h MET 61 Ca 0.25 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1b0b h MET 61 Cb 0.27 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1b0b h MET 61 CO -0.01 0.79 0.53 0.00 0.23 0.00 0.00 176.91 178.44 1b0b h ALA 62 N 1.00 1.15 -0.50 0.39 0.00 -1.06 0.07 119.26 120.31 1b0b h ALA 62 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1b0b h ALA 62 Cb 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1b0b h ALA 62 CO 0.00 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.90 1b0b h ALA 63 N 1.29 0.68 -0.61 0.00 0.00 -1.05 -2.56 119.26 117.00 1b0b h ALA 63 Ca 0.32 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1b0b h ALA 63 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1b0b h ALA 63 CO -0.06 0.46 -0.01 0.37 0.00 0.00 0.00 179.25 180.02 1b0b h GLN 64 N 0.74 1.08 -0.93 0.00 5.75 -0.42 -0.56 115.11 120.77 1b0b h GLN 64 Ca 0.15 -0.35 0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1b0b h GLN 64 Cb 0.48 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 1b0b h GLN 64 CO 0.02 1.05 0.61 0.00 -2.65 0.00 0.00 178.83 177.87 1b0b h ALA 65 N 0.99 1.37 -0.57 3.38 0.00 -0.92 -0.73 119.26 122.79 1b0b h ALA 65 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1b0b h ALA 65 Cb 0.57 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1b0b h ALA 65 CO 0.03 0.56 0.04 0.37 0.00 0.00 0.00 179.25 180.25 1b0b h GLN 66 N 1.21 0.98 0.02 0.00 4.15 -0.97 -1.79 115.11 118.71 1b0b h GLN 66 Ca 0.35 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1b0b h GLN 66 Cb -0.07 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1b0b h GLN 66 CO -0.09 0.96 -0.01 0.77 -1.93 0.00 0.00 178.83 178.53 1b0b h SER 67 N 0.87 -0.02 -0.39 -0.69 0.02 -0.47 -1.91 113.55 110.95 1b0b h SER 67 Ca 0.17 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1b0b h SER 67 Cb 0.49 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1b0b h SER 67 CO 0.02 0.06 0.16 0.15 -1.14 0.00 0.00 176.83 176.08 1b0b h PHE 68 N -0.11 0.28 -0.77 3.45 3.04 -1.08 -2.76 116.94 119.00 1b0b h PHE 68 Ca -0.00 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1b0b h PHE 68 Cb 0.10 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 1b0b h PHE 68 CO -0.05 0.12 0.49 -0.22 -2.02 0.00 0.00 178.31 176.64 1b0b h LYS 69 N 0.33 0.95 -0.68 1.11 3.64 -1.22 -2.33 116.57 118.37 1b0b h LYS 69 Ca 0.18 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1b0b h LYS 69 Cb 0.14 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1b0b h LYS 69 CO -0.16 0.63 0.45 0.78 -2.27 0.00 0.00 179.45 178.87 1b0b h GLY 70 N 0.98 0.95 1.10 5.01 0.00 -1.04 0.28 103.07 110.35 1b0b h GLY 70 Ca 0.30 -0.35 -0.25 0.00 0.00 0.00 0.00 47.33 47.02 1b0b h GLY 70 CO -0.09 0.35 -1.02 -2.00 0.00 0.00 0.00 176.54 173.77 1b0b h LEU 71 N 0.91 0.80 -1.00 3.11 5.85 -1.47 -2.59 115.31 120.92 1b0b h LEU 71 Ca 0.25 -0.79 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 1b0b h LEU 71 Cb -0.10 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 1b0b h LEU 71 CO -0.05 1.50 0.46 0.58 -0.34 0.00 0.00 178.44 180.58 1b0b h VAL 72 N 0.20 1.24 -0.92 1.05 2.07 -1.22 -1.03 116.25 117.63 1b0b h VAL 72 Ca -0.14 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1b0b h VAL 72 Cb 1.70 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1b0b h VAL 72 CO 0.20 0.27 0.56 0.28 0.02 0.00 0.00 177.57 178.90 1b0b h SER 73 N 1.17 1.10 -0.58 0.57 0.02 -0.95 -1.18 113.55 113.71 1b0b h SER 73 Ca 0.29 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1b0b h SER 73 Cb 0.02 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1b0b h SER 73 CO -0.05 0.84 0.17 -1.13 -1.14 0.00 0.00 176.83 175.52 1b0b h ASN 74 N 1.27 0.85 0.20 3.07 -0.73 -0.90 -2.02 115.58 117.32 1b0b h ASN 74 Ca 0.33 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 1b0b h ASN 74 Cb -0.07 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.30 1b0b h ASN 74 CO -0.06 0.84 -0.12 -0.50 -0.37 0.00 0.00 177.43 177.21 1b0b h TRP 75 N 0.81 -0.32 0.00 0.67 6.55 -0.85 -2.93 115.95 119.88 1b0b h TRP 75 Ca 0.18 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.02 1b0b h TRP 75 Cb 0.30 0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.72 1b0b h TRP 75 CO 0.02 -0.20 -0.02 -0.39 -1.05 0.00 0.00 178.44 176.80 1b0b h VAL 76 N -0.32 0.07 -0.00 1.49 -1.51 -1.16 -0.19 116.25 114.63 1b0b h VAL 76 Ca -0.02 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1b0b h VAL 76 Cb 0.27 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1b0b h VAL 76 CO 0.02 0.02 -0.08 0.47 -1.23 0.00 0.00 177.57 176.77 1b0b n ASP 77 N -3.14 0.35 -1.57 4.19 8.00 -0.77 -4.08 116.55 119.53 1b0b n ASP 77 Ca -0.00 -0.51 -0.01 0.00 0.71 0.00 0.00 54.79 54.98 1b0b n ASP 77 Cb 0.27 -0.11 0.08 0.00 -0.02 0.00 0.00 41.12 41.34 1b0b n ASP 77 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1b0b n ASN 78 N -1.02 2.03 0.00 -2.24 3.02 -0.09 -4.88 115.26 112.08 1b0b n ASN 78 Ca 0.15 -2.90 0.10 0.00 -0.03 0.00 0.00 54.58 51.89 1b0b n ASN 78 Cb 0.26 -0.41 0.49 0.00 -0.61 0.00 0.00 39.78 39.51 1b0b n ASN 78 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b0b n LEU 79 N -0.42 0.00 -1.18 3.41 4.77 -1.21 -1.37 117.00 121.00 1b0b n LEU 79 Ca 0.17 0.27 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 1b0b n LEU 79 Cb 0.91 -0.27 0.28 0.00 -2.33 0.00 0.00 43.42 42.01 1b0b n LEU 79 CO 0.06 -0.10 0.74 0.47 -1.33 0.00 0.00 177.39 177.23 1b0b n ASP 80 N -1.27 3.86 -3.69 -1.43 8.00 -1.26 -4.84 116.55 115.92 1b0b n ASP 80 Ca 0.09 -2.16 -0.28 0.00 0.71 0.00 0.00 54.79 53.16 1b0b n ASP 80 Cb 0.15 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.69 1b0b n ASP 80 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1b0b s ASN 81 N -1.03 3.43 0.28 -2.24 3.84 -0.47 -4.95 114.94 113.79 1b0b s ASN 81 Ca 0.42 -3.40 0.01 0.00 0.21 0.00 0.00 52.86 50.10 1b0b s ASN 81 Cb 0.24 -1.12 0.57 0.00 -0.55 0.00 0.00 41.25 40.39 1b0b s ASN 81 CO 0.25 -0.14 1.81 0.00 -2.79 0.00 0.00 177.10 176.23 1b0b h ALA 82 N 5.67 1.47 -0.46 1.71 0.00 -1.88 -0.92 119.26 124.85 1b0b h ALA 82 Ca 0.17 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1b0b h ALA 82 Cb 0.83 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1b0b h ALA 82 CO 0.56 0.10 -0.09 0.78 0.00 0.00 0.00 179.25 180.61 1b0b h GLY 83 N 0.86 0.89 1.00 0.00 0.00 -1.94 0.13 103.07 104.01 1b0b h GLY 83 Ca 0.50 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1b0b h GLY 83 CO -0.30 0.61 -0.14 0.00 0.00 0.00 0.00 176.54 176.70 1b0b h ALA 84 N 1.15 0.56 -0.65 3.60 0.00 -1.77 -1.90 119.26 120.26 1b0b h ALA 84 Ca 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1b0b h ALA 84 Cb 0.57 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1b0b h ALA 84 CO 0.04 0.47 0.30 -0.07 0.00 0.00 0.00 179.25 179.99 1b0b h LEU 85 N 0.62 0.86 -0.51 0.00 3.38 -0.94 -2.05 115.31 116.66 1b0b h LEU 85 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1b0b h LEU 85 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1b0b h LEU 85 CO 0.05 0.75 0.31 -0.33 0.09 0.00 0.00 178.44 179.31 1b0b h GLU 86 N 0.90 0.70 -0.65 1.13 5.08 -0.54 -0.69 114.58 120.50 1b0b h GLU 86 Ca 0.22 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1b0b h GLU 86 Cb 0.13 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1b0b h GLU 86 CO -0.03 0.51 0.31 0.78 -1.00 0.00 0.00 179.01 179.59 1b0b h GLY 87 N 0.69 1.02 1.18 -3.84 0.00 -1.08 -0.20 103.07 100.84 1b0b h GLY 87 Ca 0.18 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1b0b h GLY 87 CO -0.03 0.49 -0.20 1.46 0.00 0.00 0.00 176.54 178.25 1b0b h GLN 88 N 0.91 0.94 -0.88 4.80 1.08 -0.99 -2.86 115.11 118.10 1b0b h GLN 88 Ca 0.22 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1b0b h GLN 88 Cb 0.13 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1b0b h GLN 88 CO -0.03 1.05 0.46 0.00 -0.95 0.00 0.00 178.83 179.36 1b0b h LYS 90 N 1.24 0.71 -0.39 0.00 3.64 -0.81 1.00 116.57 121.96 1b0b h LYS 90 Ca 0.31 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1b0b h LYS 90 Cb 0.07 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1b0b h LYS 90 CO -0.04 0.57 0.09 1.15 -2.27 0.00 0.00 179.45 178.95 1b0b h THR 91 N 0.66 1.23 -0.21 1.00 2.02 -1.41 -1.46 112.91 114.75 1b0b h THR 91 Ca 0.17 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1b0b h THR 91 Cb 0.08 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1b0b h THR 91 CO -0.03 0.27 0.14 0.15 0.37 0.00 0.00 175.52 176.42 1b0b h PHE 92 N 0.48 0.27 -0.17 3.16 3.57 -1.22 -1.67 116.94 121.36 1b0b h PHE 92 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1b0b h PHE 92 Cb 0.31 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1b0b h PHE 92 CO 0.02 0.17 0.07 0.00 -2.23 0.00 0.00 178.31 176.34 1b0b h ALA 93 N 1.07 0.19 -0.73 2.41 0.00 -0.73 -1.35 119.26 120.12 1b0b h ALA 93 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1b0b h ALA 93 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1b0b h ALA 93 CO -0.02 -0.36 0.48 0.00 0.00 0.00 0.00 179.25 179.35 1b0b h ALA 94 N 1.09 0.93 -0.63 0.00 0.00 -1.00 0.31 119.26 119.96 1b0b h ALA 94 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1b0b h ALA 94 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1b0b h ALA 94 CO -0.06 0.31 0.19 -0.91 0.00 0.00 0.00 179.25 178.78 1b0b h ASN 95 N 0.96 0.93 0.66 0.00 -0.26 -1.08 -2.21 115.58 114.58 1b0b h ASN 95 Ca 0.28 -0.21 -0.25 0.00 -0.56 0.00 0.00 56.30 55.55 1b0b h ASN 95 Cb -0.07 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 36.94 1b0b h ASN 95 CO -0.08 0.90 -1.15 0.45 -1.06 0.00 0.00 177.43 176.49 1b0b h HIS 96 N 0.91 0.41 -0.89 1.19 3.86 -0.99 -3.17 115.15 116.47 1b0b h HIS 96 Ca 0.20 -0.29 0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1b0b h HIS 96 Cb 0.31 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.69 1b0b h HIS 96 CO 0.02 1.20 0.56 -0.22 0.86 0.00 0.00 177.93 180.36 1b0b h LYS 97 N 0.08 1.02 0.00 2.45 3.64 -0.38 -0.87 116.57 122.50 1b0b h LYS 97 Ca -0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1b0b h LYS 97 Cb 1.87 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1b0b h LYS 97 CO 0.18 0.67 0.00 0.00 -2.27 0.00 0.00 179.45 178.04 1b0b h ALA 98 N 1.40 1.00 -0.00 5.00 0.00 -1.39 -0.76 119.26 124.50 1b0b h ALA 98 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1b0b h ALA 98 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1b0b h ALA 98 CO -0.16 0.00 -0.11 0.54 0.00 0.00 0.00 179.25 179.52 1b0b n ARG 99 N -2.79 0.82 -0.76 0.00 1.74 -0.35 -4.91 116.66 110.40 1b0b n ARG 99 Ca -0.01 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1b0b n ARG 99 Cb 0.18 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1b0b n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b0b n GLY 100 N 1.26 0.61 3.74 -0.13 0.00 -0.29 -5.03 105.19 105.35 1b0b n GLY 100 Ca 0.15 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1b0b n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b0b s ILE 101 N -2.00 3.99 0.42 -0.61 1.01 -1.09 -5.04 121.20 117.89 1b0b s ILE 101 Ca 0.00 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.49 1b0b s ILE 101 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1b0b s ILE 101 CO 0.00 0.38 0.66 -0.94 0.00 0.00 0.00 174.94 175.04 1b0b s SER 102 N -0.61 6.11 0.39 3.58 1.04 -1.26 -4.34 113.70 118.62 1b0b s SER 102 Ca 0.45 0.52 0.06 0.00 0.48 0.00 0.00 55.95 57.46 1b0b s SER 102 Cb -0.27 -1.91 0.79 0.00 0.10 0.00 0.00 66.02 64.72 1b0b s SER 102 CO 0.34 -0.52 2.04 0.00 0.98 0.00 0.00 173.24 176.08 1b0b h ALA 103 N 0.47 1.66 -0.10 5.32 0.00 -1.96 -2.05 119.26 122.60 1b0b h ALA 103 Ca -0.48 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1b0b h ALA 103 Cb 1.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1b0b h ALA 103 CO 0.60 0.31 -0.39 0.78 0.00 0.00 0.00 179.25 180.55 1b0b h GLY 104 N 0.65 0.24 1.45 0.00 0.00 -1.98 -0.11 103.07 103.31 1b0b h GLY 104 Ca 0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1b0b h GLY 104 CO -0.04 0.20 -0.30 1.46 0.00 0.00 0.00 176.54 177.86 1b0b h GLN 105 N 0.19 0.63 -0.44 4.80 4.20 -1.78 -0.80 115.11 121.91 1b0b h GLN 105 Ca 0.02 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 1b0b h GLN 105 Cb 0.78 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1b0b h GLN 105 CO 0.06 0.85 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.95 1b0b h LEU 106 N 0.54 0.80 -1.26 1.46 3.38 -1.02 -1.98 115.31 117.22 1b0b h LEU 106 Ca 0.07 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1b0b h LEU 106 Cb 0.78 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1b0b h LEU 106 CO 0.06 0.94 0.50 -0.08 0.09 0.00 0.00 178.44 179.96 1b0b h GLU 107 N 0.64 0.99 -0.59 1.13 4.81 -0.73 -1.87 114.58 118.96 1b0b h GLU 107 Ca 0.12 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1b0b h GLU 107 Cb 0.56 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1b0b h GLU 107 CO 0.03 0.65 0.20 0.00 -0.73 0.00 0.00 179.01 179.16 1b0b h ALA 108 N 1.53 0.77 -0.54 2.92 0.00 -0.71 -1.00 119.26 122.23 1b0b h ALA 108 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b0b h ALA 108 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1b0b h ALA 108 CO -0.06 0.42 0.35 0.00 0.00 0.00 0.00 179.25 179.96 1b0b h ALA 109 N 1.06 0.68 -0.47 0.00 0.00 -0.83 -0.81 119.26 118.90 1b0b h ALA 109 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1b0b h ALA 109 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1b0b h ALA 109 CO -0.01 0.13 0.22 0.74 0.00 0.00 0.00 179.25 180.33 1b0b h PHE 110 N 0.72 0.64 -0.27 0.00 0.04 -0.99 -0.35 116.94 116.73 1b0b h PHE 110 Ca 0.20 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.79 1b0b h PHE 110 Cb -0.06 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 37.88 1b0b h PHE 110 CO -0.03 0.48 -0.46 -0.22 -0.60 0.00 0.00 178.31 177.47 1b0b h LYS 111 N 0.65 0.79 -0.56 1.51 3.64 -0.78 -0.32 116.57 121.50 1b0b h LYS 111 Ca 0.16 -0.49 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1b0b h LYS 111 Cb 0.08 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1b0b h LYS 111 CO -0.02 1.12 0.17 0.28 -2.27 0.00 0.00 179.45 178.73 1b0b h VAL 112 N 0.54 1.24 -0.54 2.00 2.07 -0.94 -2.66 116.25 117.96 1b0b h VAL 112 Ca 0.02 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1b0b h VAL 112 Cb 1.06 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1b0b h VAL 112 CO 0.10 0.30 0.32 0.25 0.02 0.00 0.00 177.57 178.56 1b0b h LEU 113 N 0.78 0.66 -0.85 2.57 5.85 -0.87 -0.71 115.31 122.73 1b0b h LEU 113 Ca 0.18 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1b0b h LEU 113 Cb 0.28 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1b0b h LEU 113 CO -0.01 0.53 0.54 0.00 -0.34 0.00 0.00 178.44 179.17 1b0b h ALA 114 N 1.15 1.13 -0.08 1.25 0.00 -0.84 0.16 119.26 122.03 1b0b h ALA 114 Ca 0.19 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1b0b h ALA 114 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1b0b h ALA 114 CO -0.03 0.35 -0.75 0.78 0.00 0.00 0.00 179.25 179.59 1b0b h GLY 115 N 1.04 0.52 1.56 0.00 0.00 -1.21 -3.16 103.07 101.82 1b0b h GLY 115 Ca 0.35 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1b0b h GLY 115 CO -0.13 0.66 0.20 -2.75 0.00 0.00 0.00 176.54 174.52 1b0b h PHE 116 N 0.32 0.57 0.00 5.60 3.57 -0.45 -2.33 116.94 124.21 1b0b h PHE 116 Ca -0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1b0b h PHE 116 Cb 1.34 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1b0b h PHE 116 CO 0.05 0.42 0.00 -1.33 -2.23 0.00 0.00 178.31 175.23 1b0b n MET 117 N -4.40 0.05 0.26 1.11 2.81 -0.02 -2.53 117.12 114.40 1b0b n MET 117 Ca 0.03 0.25 0.14 0.00 -1.81 0.00 0.00 57.70 56.31 1b0b n MET 117 Cb 0.12 -1.58 0.82 0.00 -0.71 0.00 0.00 33.22 31.87 1b0b n MET 117 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1b0b h LYS 118 N 0.00 0.00 0.00 0.03 1.57 -1.50 -0.41 116.57 116.25 1b0b h LYS 118 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b0b h LYS 118 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1b0b h LYS 118 CO 0.00 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.31 1b0b n SER 119 N -4.03 0.03 -0.81 0.86 7.64 -1.05 -3.00 113.62 113.26 1b0b n SER 119 Ca -0.02 0.50 0.02 0.00 1.01 0.00 0.00 58.87 60.39 1b0b n SER 119 Cb 0.15 -0.51 0.20 0.00 -1.01 0.00 0.00 64.21 63.04 1b0b n SER 119 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1b0b n TYR 120 N -1.53 0.61 -0.97 1.43 4.01 -0.43 -4.93 117.16 115.36 1b0b n TYR 120 Ca 0.06 -1.39 0.00 0.00 -0.16 0.00 0.00 57.90 56.42 1b0b n TYR 120 Cb 0.30 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1b0b n TYR 120 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b0b n GLY 121 N -1.08 0.73 3.76 2.72 0.00 -1.16 -4.45 105.19 105.70 1b0b n GLY 121 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1b0b n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b0b s GLY 122 N -2.00 2.86 -0.48 -0.02 0.00 -0.30 -4.84 107.32 102.55 1b0b s GLY 122 Ca 0.00 1.19 -0.26 0.00 0.00 0.00 0.00 44.72 45.65 1b0b s GLY 122 CO 0.00 1.91 0.97 -0.35 0.00 0.00 0.00 173.10 175.63 1b0b s ASP 123 N -0.33 6.50 0.47 1.64 2.15 -1.26 -4.09 116.67 121.75 1b0b s ASP 123 Ca 0.50 0.13 0.21 0.00 0.43 0.00 0.00 52.55 53.82 1b0b s ASP 123 Cb -0.38 -2.47 1.22 0.00 -0.30 0.00 0.00 42.92 40.99 1b0b s ASP 123 CO 0.48 -1.12 1.95 -0.08 -0.17 0.00 0.00 175.17 176.23 1b0b h GLU 124 N 9.14 0.22 -0.21 4.34 4.81 -1.95 -0.07 114.58 130.86 1b0b h GLU 124 Ca -0.24 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 1b0b h GLU 124 Cb 1.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1b0b h GLU 124 CO 1.05 0.14 -0.25 0.78 -0.73 0.00 0.00 179.01 180.01 1b0b h GLY 125 N 0.22 0.43 0.81 1.92 0.00 -1.92 0.12 103.07 104.66 1b0b h GLY 125 Ca 0.33 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1b0b h GLY 125 CO -0.07 0.31 -0.21 0.00 0.00 0.00 0.00 176.54 176.57 1b0b h ALA 126 N 1.39 0.27 -0.29 3.60 0.00 -1.38 -1.22 119.26 121.62 1b0b h ALA 126 Ca 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1b0b h ALA 126 Cb 0.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1b0b h ALA 126 CO 0.05 0.21 0.02 -1.49 0.00 0.00 0.00 179.25 178.04 1b0b h TRP 127 N 0.11 0.44 -0.56 0.00 4.06 -1.24 -1.00 115.95 117.76 1b0b h TRP 127 Ca 0.02 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1b0b h TRP 127 Cb 0.77 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 1b0b h TRP 127 CO 0.09 0.43 0.13 1.15 -3.56 0.00 0.00 178.44 176.67 1b0b h THR 128 N 0.42 1.25 -0.43 1.49 2.02 -0.85 -0.50 112.91 116.30 1b0b h THR 128 Ca 0.10 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 1b0b h THR 128 Cb 0.25 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1b0b h THR 128 CO 0.00 0.33 0.09 0.00 0.37 0.00 0.00 175.52 176.31 1b0b h ALA 129 N 1.02 0.57 -0.48 6.16 0.00 -0.71 -0.10 119.26 125.71 1b0b h ALA 129 Ca 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1b0b h ALA 129 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1b0b h ALA 129 CO 0.00 0.28 0.16 0.28 0.00 0.00 0.00 179.25 179.97 1b0b h VAL 130 N 0.57 1.22 -0.74 0.00 2.07 -0.98 -1.73 116.25 116.68 1b0b h VAL 130 Ca 0.13 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1b0b h VAL 130 Cb 0.35 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1b0b h VAL 130 CO 0.01 0.27 0.40 0.00 0.02 0.00 0.00 177.57 178.27 1b0b h ALA 131 N 1.01 1.32 -0.51 1.67 0.00 -0.96 -0.56 119.26 121.23 1b0b h ALA 131 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1b0b h ALA 131 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1b0b h ALA 131 CO -0.01 0.55 0.14 0.78 0.00 0.00 0.00 179.25 180.71 1b0b h GLY 132 N 1.07 0.88 0.97 0.00 0.00 -0.72 0.25 103.07 105.53 1b0b h GLY 132 Ca 0.26 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1b0b h GLY 132 CO -0.04 0.51 0.22 0.00 0.00 0.00 0.00 176.54 177.22 1b0b h ALA 133 N 1.01 0.47 -0.52 3.60 0.00 -0.69 -1.84 119.26 121.29 1b0b h ALA 133 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1b0b h ALA 133 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1b0b h ALA 133 CO -0.00 -0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.15 1b0b h LEU 134 N 0.48 0.92 -1.56 0.00 3.38 -0.80 -2.67 115.31 115.06 1b0b h LEU 134 Ca 0.13 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1b0b h LEU 134 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1b0b h LEU 134 CO -0.02 1.01 -0.09 0.24 0.09 0.00 0.00 178.44 179.66 1b0b h MET 135 N 0.80 0.18 0.00 1.13 2.86 -0.39 -0.15 114.93 119.35 1b0b h MET 135 Ca 0.15 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1b0b h MET 135 Cb 0.54 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1b0b h MET 135 CO 0.03 0.28 -0.15 0.78 1.06 0.00 0.00 176.91 178.91 1b0b h GLY 136 N 0.58 0.00 1.22 8.32 0.00 -0.98 0.46 103.07 112.67 1b0b h GLY 136 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 1b0b h GLY 136 CO 0.01 0.00 -1.53 -0.33 0.00 0.00 0.00 176.54 174.69 1b0b h MET 137 N 0.00 0.40 -0.00 4.80 2.86 -0.98 -3.40 114.93 118.60 1b0b h MET 137 Ca -0.00 -0.68 -0.01 0.00 -2.06 0.00 0.00 59.70 56.95 1b0b h MET 137 Cb 0.30 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1b0b h MET 137 CO 0.02 1.31 -0.02 0.82 1.06 0.00 0.00 176.91 180.10 1b0b h ILE 138 N 0.11 1.59 -0.75 -1.22 2.04 -0.64 -3.38 117.51 115.25 1b0b h ILE 138 Ca -0.26 -1.75 0.17 0.00 1.00 0.00 0.00 64.86 64.02 1b0b h ILE 138 Cb 2.09 2.76 -0.11 0.00 -0.74 0.00 0.00 36.82 40.82 1b0b h ILE 138 CO 0.22 0.46 0.17 -0.09 0.00 0.00 0.00 178.15 178.90 1b0b h ARG 139 N -0.72 0.25 -0.04 2.37 2.43 -1.13 -0.14 114.38 117.41 1b0b h ARG 139 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1b0b h ARG 139 Cb 0.76 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1b0b h ARG 139 CO 0.00 0.16 0.06 -1.35 -1.51 0.00 0.00 179.97 177.34 1b0b h PRO 140 N 0.25 0.00 -0.69 0.20 0.11 -1.79 -1.04 132.00 129.04 1b0b h PRO 140 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1b0b h PRO 140 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1b0b h PRO 140 CO -0.54 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.00 1b0b n ASP 141 N -3.55 3.91 -0.70 -2.05 8.00 -0.07 -5.21 116.55 116.88 1b0b n ASP 141 Ca -0.02 -2.00 0.09 0.00 0.71 0.00 0.00 54.79 53.57 1b0b n ASP 141 Cb 0.14 -0.46 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 1b0b n ASP 141 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04