#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1c h ASN 3 N 0.00 0.82 0.76 1.20 -1.24 -2.08 0.33 115.58 115.37 3g1c h ASN 3 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3g1c h ASN 3 Cb 0.00 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 38.95 3g1c h ASN 3 CO 0.00 0.39 0.00 0.50 -1.29 0.00 0.00 177.43 177.03 3g1c h LYS 4 N 0.86 0.00 -0.02 6.67 3.64 -2.11 -2.69 116.57 122.93 3g1c h LYS 4 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3g1c h LYS 4 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3g1c h LYS 4 CO -0.28 0.00 -0.15 1.28 -2.27 0.00 0.00 179.45 178.03 3g1c n LEU 5 N -2.81 1.66 -4.33 5.20 4.77 0.09 -4.63 117.00 116.94 3g1c n LEU 5 Ca 0.00 -0.54 -0.44 0.00 -0.03 0.00 0.00 56.01 55.01 3g1c n LEU 5 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3g1c n LEU 5 CO 0.23 0.29 1.58 0.29 -1.33 0.00 0.00 177.39 178.46 3g1c n LYS 6 N 0.07 3.41 -4.05 3.23 4.76 -1.02 -4.72 118.16 119.83 3g1c n LYS 6 Ca 0.15 -3.72 -0.10 0.00 -2.87 0.00 0.00 58.31 51.76 3g1c n LYS 6 Cb 0.41 -3.05 -0.11 0.00 -1.84 0.00 0.00 35.03 30.44 3g1c n LYS 6 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3g1c s THR 7 N 1.50 0.37 0.20 -0.18 2.01 -1.26 -5.04 115.64 113.24 3g1c s THR 7 Ca 0.43 -1.25 0.05 0.00 0.31 0.00 0.00 61.69 61.23 3g1c s THR 7 Cb 0.01 -0.78 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 3g1c s THR 7 CO 0.01 -0.58 1.46 -0.61 -0.69 0.00 0.00 174.62 174.21 3g1c h GLN 8 N 4.13 0.13 -0.32 4.92 5.75 -1.99 -1.83 115.11 125.90 3g1c h GLN 8 Ca -0.34 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.08 3g1c h GLN 8 Cb 1.19 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.73 3g1c h GLN 8 CO 0.48 0.83 0.06 0.00 -2.65 0.00 0.00 178.83 177.55 3g1c h ALA 9 N 1.13 0.33 -0.43 3.38 0.00 -1.96 0.14 119.26 121.86 3g1c h ALA 9 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g1c h ALA 9 Cb 1.35 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3g1c h ALA 9 CO 0.11 -0.35 0.08 0.28 0.00 0.00 0.00 179.25 179.37 3g1c h VAL 10 N 0.17 1.24 -0.86 0.00 2.07 -1.80 -1.96 116.25 115.10 3g1c h VAL 10 Ca 0.15 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3g1c h VAL 10 Cb 0.17 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3g1c h VAL 10 CO -0.21 0.30 0.49 -0.33 0.02 0.00 0.00 177.57 177.84 3g1c h GLU 11 N 0.57 1.18 -0.28 1.57 5.08 -1.03 -0.87 114.58 120.80 3g1c h GLU 11 Ca 0.13 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 3g1c h GLU 11 Cb 0.35 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g1c h GLU 11 CO 0.01 0.85 -0.50 1.96 -1.00 0.00 0.00 179.01 180.32 3g1c h GLN 12 N 1.19 0.77 -0.38 2.33 4.20 -0.52 -0.42 115.11 122.28 3g1c h GLN 12 Ca 0.31 -0.46 0.08 0.00 0.06 0.00 0.00 58.65 58.63 3g1c h GLN 12 Cb -0.01 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.74 3g1c h GLN 12 CO -0.05 1.09 -0.17 1.25 -0.67 0.00 0.00 178.83 180.28 3g1c h LEU 13 N 0.60 -0.57 -1.08 1.46 5.85 -0.95 -0.89 115.31 119.73 3g1c h LEU 13 Ca 0.02 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3g1c h LEU 13 Cb 1.08 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3g1c h LEU 13 CO 0.11 -0.20 0.00 -0.26 -0.34 0.00 0.00 178.44 177.75 3g1c h PHE 14 N -0.09 0.69 -0.45 1.25 0.04 -0.95 0.13 116.94 117.55 3g1c h PHE 14 Ca 0.19 -0.08 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 3g1c h PHE 14 Cb 0.38 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3g1c h PHE 14 CO -0.40 0.65 -0.28 1.96 -0.60 0.00 0.00 178.31 179.64 3g1c h GLN 15 N 0.62 0.98 -0.49 1.51 1.08 -0.77 0.18 115.11 118.23 3g1c h GLN 15 Ca 0.13 -0.45 0.06 0.00 -1.45 0.00 0.00 58.65 56.94 3g1c h GLN 15 Cb 0.38 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.74 3g1c h GLN 15 CO 0.01 1.12 0.18 0.00 -0.95 0.00 0.00 178.83 179.20 3g1c h ALA 16 N 0.84 0.60 -0.14 3.87 0.00 -0.35 -1.75 119.26 122.33 3g1c h ALA 16 Ca 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3g1c h ALA 16 Cb 0.86 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3g1c h ALA 16 CO 0.08 -0.21 -0.09 0.82 0.00 0.00 0.00 179.25 179.85 3g1c h ILE 17 N 0.36 1.32 0.00 0.00 2.04 -0.42 -2.53 117.51 118.29 3g1c h ILE 17 Ca 0.23 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3g1c h ILE 17 Cb 0.24 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3g1c h ILE 17 CO -0.23 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.44 3g1c n LEU 18 N -4.63 0.00 0.01 1.44 4.77 0.59 -2.10 117.00 117.08 3g1c n LEU 18 Ca -0.06 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 3g1c n LEU 18 Cb 0.31 -0.45 0.34 0.00 -2.33 0.00 0.00 43.42 41.29 3g1c n LEU 18 CO 0.38 -0.26 0.59 -1.54 -1.33 0.00 0.00 177.39 175.23 3g1c n SER 19 N -1.45 0.40 -4.73 -1.43 3.41 -0.66 -4.89 113.62 104.27 3g1c n SER 19 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 3g1c n SER 19 Cb 0.13 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3g1c n SER 19 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g1c s LEU 20 N -3.16 4.37 -0.05 1.04 1.43 -0.89 -4.92 118.68 116.50 3g1c s LEU 20 Ca 0.11 2.62 0.22 0.00 -1.03 0.00 0.00 54.13 56.05 3g1c s LEU 20 Cb 0.17 -3.60 -0.33 0.00 0.03 0.00 0.00 46.19 42.46 3g1c s LEU 20 CO 0.66 -0.78 0.44 0.29 0.23 0.00 0.00 176.35 177.18 3g1c n LYS 21 N 3.47 0.66 -3.84 1.70 5.02 -1.26 -5.01 118.16 118.91 3g1c n LYS 21 Ca 0.12 -0.18 -0.08 0.00 -2.02 0.00 0.00 58.31 56.16 3g1c n LYS 21 Cb 0.39 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3g1c n LYS 21 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3g1c s ASP 22 N -4.64 -0.14 0.43 4.39 1.47 -1.26 -5.05 116.67 111.87 3g1c s ASP 22 Ca -0.08 -0.83 0.15 0.00 1.18 0.00 0.00 52.55 52.97 3g1c s ASP 22 Cb 0.13 0.77 0.94 0.00 -0.34 0.00 0.00 42.92 44.42 3g1c s ASP 22 CO 0.90 -1.47 1.94 -0.07 0.68 0.00 0.00 175.17 177.14 3g1c h LEU 23 N 2.00 0.00 -0.83 2.11 4.07 -1.98 -0.88 115.31 119.79 3g1c h LEU 23 Ca -0.25 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.62 3g1c h LEU 23 Cb 1.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.97 3g1c h LEU 23 CO 0.31 0.25 -0.14 0.44 -1.08 0.00 0.00 178.44 178.21 3g1c h ASP 24 N 0.00 0.71 -0.37 -0.43 3.32 -1.99 -0.67 116.42 116.99 3g1c h ASP 24 Ca -0.00 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 3g1c h ASP 24 Cb 0.45 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3g1c h ASP 24 CO 0.03 0.87 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.00 3g1c h GLU 25 N 0.64 0.72 -0.26 3.56 5.08 -1.72 -1.90 114.58 120.70 3g1c h GLU 25 Ca 0.11 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3g1c h GLU 25 Cb 0.61 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3g1c h GLU 25 CO 0.04 0.86 0.01 0.00 -1.00 0.00 0.00 179.01 178.92 3g1c h ALA 26 N 0.83 0.24 -0.27 3.43 0.00 -1.01 0.66 119.26 123.13 3g1c h ALA 26 Ca 0.09 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3g1c h ALA 26 Cb 0.60 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3g1c h ALA 26 CO 0.04 -0.41 0.07 1.88 0.00 0.00 0.00 179.25 180.83 3g1c h TYR 27 N 0.09 0.13 0.12 0.00 -1.99 -0.98 -0.85 116.97 113.49 3g1c h TYR 27 Ca 0.12 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.88 3g1c h TYR 27 Cb 0.16 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3g1c h TYR 27 CO -0.20 0.05 -0.14 -0.44 -0.00 0.00 0.00 178.16 177.43 3g1c h ASP 28 N 0.19 -0.38 0.68 3.88 3.32 -0.96 -1.78 116.42 121.37 3g1c h ASP 28 Ca 0.12 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3g1c h ASP 28 Cb 0.11 0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.80 3g1c h ASP 28 CO -0.14 -0.21 -0.33 0.15 -1.72 0.00 0.00 179.24 176.99 3g1c h PHE 29 N -0.30 -0.85 -0.03 4.55 3.57 -0.80 -2.18 116.94 120.90 3g1c h PHE 29 Ca 0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3g1c h PHE 29 Cb 0.30 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3g1c h PHE 29 CO -0.14 -0.51 -0.23 0.74 -2.23 0.00 0.00 178.31 175.94 3g1c h PHE 30 N -1.00 0.04 0.00 0.41 -1.00 -1.19 0.38 116.94 114.58 3g1c h PHE 30 Ca -0.09 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.58 3g1c h PHE 30 Cb 0.73 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 3g1c h PHE 30 CO -0.01 0.27 -0.48 0.93 -1.61 0.00 0.00 178.31 177.41 3g1c h GLU 31 N 0.04 0.00 -0.19 1.51 5.08 -1.35 0.25 114.58 119.92 3g1c h GLU 31 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3g1c h GLU 31 Cb 0.43 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3g1c h GLU 31 CO 0.03 0.48 -0.61 -0.44 -1.00 0.00 0.00 179.01 177.48 3g1c h ASP 32 N 0.00 0.86 0.97 1.42 3.32 -0.31 -3.35 116.42 119.34 3g1c h ASP 32 Ca -0.00 -0.59 -0.18 0.00 0.02 0.00 0.00 57.03 56.27 3g1c h ASP 32 Cb 0.91 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3g1c h ASP 32 CO 0.06 1.30 -1.10 0.58 -1.72 0.00 0.00 179.24 178.37 3g1c h VAL 33 N 0.46 0.94 -2.35 -1.35 2.07 -1.02 -3.47 116.25 111.52 3g1c h VAL 33 Ca -0.02 -2.50 -0.56 0.00 0.82 0.00 0.00 66.70 64.43 3g1c h VAL 33 Cb 1.23 2.40 -0.14 0.00 -1.52 0.00 0.00 31.29 33.26 3g1c h VAL 33 CO 0.13 0.54 -0.73 0.00 0.02 0.00 0.00 177.57 177.53 3g1c s THR 35 N -2.69 3.82 0.18 0.00 -4.23 -1.26 -4.57 115.64 106.88 3g1c s THR 35 Ca 0.29 0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 3g1c s THR 35 Cb -0.01 -3.55 0.08 0.00 1.34 0.00 0.00 72.50 70.35 3g1c s THR 35 CO 0.13 -0.77 1.82 0.40 -0.54 0.00 0.00 174.62 175.66 3g1c h ILE 36 N -0.60 1.16 -0.26 2.99 5.03 -1.94 -1.68 117.51 122.22 3g1c h ILE 36 Ca -0.45 -0.35 -0.08 0.00 -0.12 0.00 0.00 64.86 63.86 3g1c h ILE 36 Cb 1.24 0.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.39 3g1c h ILE 36 CO 0.63 0.16 -0.18 0.78 -0.68 0.00 0.00 178.15 178.86 3g1c h ASN 37 N 0.76 0.46 -0.23 1.72 -0.26 -1.98 0.14 115.58 116.20 3g1c h ASN 37 Ca 0.20 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 3g1c h ASN 37 Cb -0.04 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 3g1c h ASN 37 CO -0.04 0.66 0.06 -0.33 -1.06 0.00 0.00 177.43 176.72 3g1c h GLU 38 N 0.42 0.36 -0.43 0.81 5.08 -1.81 0.91 114.58 119.92 3g1c h GLU 38 Ca 0.07 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3g1c h GLU 38 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3g1c h GLU 38 CO 0.04 0.46 0.23 0.82 -1.00 0.00 0.00 179.01 179.56 3g1c h ILE 39 N 0.19 1.16 -0.37 3.13 2.04 -0.66 -1.60 117.51 121.40 3g1c h ILE 39 Ca 0.07 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3g1c h ILE 39 Cb 0.26 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3g1c h ILE 39 CO -0.00 0.17 0.25 -0.07 0.00 0.00 0.00 178.15 178.50 3g1c h LEU 40 N 0.56 0.37 -0.42 1.44 3.38 -0.61 -1.46 115.31 118.58 3g1c h LEU 40 Ca 0.15 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 3g1c h LEU 40 Cb 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g1c h LEU 40 CO -0.02 0.26 -0.68 -1.28 0.09 0.00 0.00 178.44 176.81 3g1c h SER 41 N 0.43 0.57 -0.05 -0.43 0.87 -0.19 -1.21 113.55 113.54 3g1c h SER 41 Ca 0.15 -0.35 -0.23 0.00 -1.23 0.00 0.00 61.79 60.13 3g1c h SER 41 Cb 0.06 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3g1c h SER 41 CO -0.03 1.09 -0.83 -0.07 -0.53 0.00 0.00 176.83 176.46 3g1c h LEU 42 N 0.35 0.86 -0.96 2.23 3.38 -0.68 -2.35 115.31 118.15 3g1c h LEU 42 Ca -0.02 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 3g1c h LEU 42 Cb 1.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3g1c h LEU 42 CO 0.12 1.39 -0.09 0.77 0.09 0.00 0.00 178.44 180.72 3g1c h SER 43 N 0.47 0.64 -0.30 -0.43 4.64 -1.23 -1.17 113.55 116.17 3g1c h SER 43 Ca -0.06 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3g1c h SER 43 Cb 1.46 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3g1c h SER 43 CO 0.16 0.77 0.16 -0.61 -0.87 0.00 0.00 176.83 176.45 3g1c h GLN 44 N 0.61 0.42 -0.78 4.77 4.15 -1.21 -1.58 115.11 121.49 3g1c h GLN 44 Ca 0.11 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3g1c h GLN 44 Cb 0.52 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3g1c h GLN 44 CO 0.03 0.37 0.40 0.00 -1.93 0.00 0.00 178.83 177.70 3g1c h ARG 45 N 0.36 1.11 -0.58 1.69 3.08 -1.26 -0.03 114.38 118.75 3g1c h ARG 45 Ca 0.11 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3g1c h ARG 45 Cb 0.08 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3g1c h ARG 45 CO -0.02 0.84 0.22 0.35 -1.07 0.00 0.00 179.97 180.30 3g1c h PHE 46 N 1.09 0.89 -0.39 3.04 3.57 -1.12 -1.68 116.94 122.34 3g1c h PHE 46 Ca 0.27 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3g1c h PHE 46 Cb 0.08 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3g1c h PHE 46 CO 0.01 0.73 -0.08 1.49 -2.23 0.00 0.00 178.31 178.22 3g1c h GLU 47 N 0.80 0.74 -0.75 1.11 4.81 -0.88 -1.68 114.58 118.72 3g1c h GLU 47 Ca 0.19 -0.28 0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3g1c h GLU 47 Cb 0.22 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 3g1c h GLU 47 CO -0.01 0.87 0.32 0.28 -0.73 0.00 0.00 179.01 179.74 3g1c h VAL 48 N 0.54 0.70 -0.31 0.32 2.07 -0.92 -0.40 116.25 118.25 3g1c h VAL 48 Ca 0.10 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 3g1c h VAL 48 Cb 0.59 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3g1c h VAL 48 CO 0.04 0.09 -0.28 0.00 0.02 0.00 0.00 177.57 177.44 3g1c h ALA 49 N 1.53 0.45 -0.21 1.67 0.00 -0.66 0.11 119.26 122.16 3g1c h ALA 49 Ca 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g1c h ALA 49 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3g1c h ALA 49 CO -0.38 0.46 0.14 -0.22 0.00 0.00 0.00 179.25 179.25 3g1c h LYS 50 N 0.50 0.28 -0.18 0.00 3.64 -1.00 -2.33 116.57 117.48 3g1c h LYS 50 Ca 0.05 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3g1c h LYS 50 Cb 0.84 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3g1c h LYS 50 CO 0.07 0.21 -0.21 0.52 -2.27 0.00 0.00 179.45 177.76 3g1c h MET 51 N 0.28 0.31 -0.55 1.90 2.86 -0.77 0.12 114.93 119.07 3g1c h MET 51 Ca 0.08 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3g1c h MET 51 Cb -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3g1c h MET 51 CO -0.02 0.52 0.04 -0.07 1.06 0.00 0.00 176.91 178.44 3g1c h LEU 52 N 0.28 0.88 0.00 1.22 3.38 -0.49 -1.90 115.31 118.69 3g1c h LEU 52 Ca 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3g1c h LEU 52 Cb 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g1c h LEU 52 CO 0.04 0.92 -0.19 0.03 0.09 0.00 0.00 178.44 179.32 3g1c h ARG 53 N 0.86 0.00 0.00 1.13 2.47 -0.83 -2.18 114.38 115.83 3g1c h ARG 53 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 3g1c h ARG 53 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3g1c h ARG 53 CO 0.02 0.15 0.00 0.39 0.56 0.00 0.00 179.97 181.09 3g1c n GLU 54 N -3.12 0.78 -1.74 0.04 1.02 0.34 -4.90 120.64 113.06 3g1c n GLU 54 Ca 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 3g1c n GLU 54 Cb 0.59 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 3g1c n GLU 54 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g1c n HIS 55 N -0.78 -0.23 -2.16 -0.32 8.25 -0.82 -5.01 115.22 114.15 3g1c n HIS 55 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.26 3g1c n HIS 55 Cb 0.05 -2.12 -0.01 0.00 1.12 0.00 0.00 29.99 29.03 3g1c n HIS 55 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3g1c s ARG 56 N -3.66 3.70 0.66 -0.41 1.81 -1.00 -5.05 118.95 114.99 3g1c s ARG 56 Ca 0.00 0.72 -0.10 0.00 -1.72 0.00 0.00 55.73 54.63 3g1c s ARG 56 Cb 0.00 -2.15 -0.00 0.00 -0.45 0.00 0.00 34.95 32.35 3g1c s ARG 56 CO 0.00 -0.42 1.04 0.95 -0.68 0.00 0.00 175.30 176.20 3g1c s THR 57 N -2.93 3.85 0.31 0.02 -4.23 -1.26 -4.76 115.64 106.64 3g1c s THR 57 Ca 0.55 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.57 3g1c s THR 57 Cb -0.11 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.33 3g1c s THR 57 CO 0.46 -0.74 1.88 1.88 -0.54 0.00 0.00 174.62 177.55 3g1c h TYR 58 N -0.48 0.77 -0.13 3.99 -1.99 -1.98 -1.55 116.97 115.59 3g1c h TYR 58 Ca -0.45 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.25 3g1c h TYR 58 Cb 1.24 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 3g1c h TYR 58 CO 0.54 0.63 0.02 1.25 -0.00 0.00 0.00 178.16 180.60 3g1c h LEU 59 N 0.74 -0.01 -1.28 3.88 5.85 -1.98 0.28 115.31 122.79 3g1c h LEU 59 Ca 0.17 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3g1c h LEU 59 Cb 0.22 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3g1c h LEU 59 CO -0.01 0.02 -0.17 0.44 -0.34 0.00 0.00 178.44 178.37 3g1c h ASP 60 N 0.07 0.26 -0.09 1.25 3.32 -1.85 -1.25 116.42 118.14 3g1c h ASP 60 Ca 0.06 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3g1c h ASP 60 Cb 0.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3g1c h ASP 60 CO -0.08 0.46 -0.19 0.40 -1.72 0.00 0.00 179.24 178.10 3g1c h ILE 61 N 0.25 1.40 -0.46 0.35 2.04 -0.93 -2.03 117.51 118.14 3g1c h ILE 61 Ca 0.05 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 3g1c h ILE 61 Cb 0.46 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3g1c h ILE 61 CO 0.03 0.43 0.27 0.00 0.00 0.00 0.00 178.15 178.88 3g1c h ALA 62 N 0.49 1.62 0.16 1.87 0.00 -0.29 -0.51 119.26 122.61 3g1c h ALA 62 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g1c h ALA 62 Cb 0.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g1c h ALA 62 CO 0.04 0.33 -0.08 0.93 0.00 0.00 0.00 179.25 180.48 3g1c h GLU 63 N 0.63 -0.21 -0.02 0.00 5.08 -1.23 -1.33 114.58 117.50 3g1c h GLU 63 Ca 0.17 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3g1c h GLU 63 Cb -0.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3g1c h GLU 63 CO -0.03 0.16 -0.54 -0.22 -1.00 0.00 0.00 179.01 177.38 3g1c h LYS 64 N -0.63 0.07 0.00 2.33 1.63 -1.10 -3.33 116.57 115.53 3g1c h LYS 64 Ca -0.02 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 3g1c h LYS 64 Cb 0.47 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 3g1c h LYS 64 CO 0.04 0.59 -1.68 0.25 -3.45 0.00 0.00 179.45 175.20 3g1c n THR 65 N -3.90 0.26 0.00 1.00 -2.24 -0.22 -4.98 114.28 104.19 3g1c n THR 65 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3g1c n THR 65 Cb 0.56 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3g1c n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g1c n GLY 66 N 1.90 1.96 3.76 3.38 0.00 -0.50 -4.96 105.19 110.73 3g1c n GLY 66 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3g1c n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1c s ALA 67 N -2.41 3.17 0.79 4.61 0.00 -1.25 -4.99 121.76 121.67 3g1c s ALA 67 Ca 0.00 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3g1c s ALA 67 Cb 0.00 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 19.60 3g1c s ALA 67 CO 0.00 -1.20 1.09 -1.54 0.00 0.00 0.00 175.76 174.11 3g1c s SER 68 N -0.60 4.57 0.45 0.00 1.04 -1.26 -4.43 113.70 113.47 3g1c s SER 68 Ca 0.63 1.42 0.25 0.00 0.48 0.00 0.00 55.95 58.73 3g1c s SER 68 Cb -0.43 -2.18 0.89 0.00 0.10 0.00 0.00 66.02 64.41 3g1c s SER 68 CO 0.54 -1.93 1.81 0.71 0.98 0.00 0.00 173.24 175.35 3g1c h THR 69 N -1.06 0.39 -0.21 2.02 1.35 -1.94 -0.98 112.91 112.48 3g1c h THR 69 Ca -0.46 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 3g1c h THR 69 Cb 1.26 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 3g1c h THR 69 CO 0.58 0.17 0.03 0.00 -0.25 0.00 0.00 175.52 176.05 3g1c h ALA 70 N 1.83 0.28 -0.76 6.62 0.00 -1.99 0.76 119.26 125.99 3g1c h ALA 70 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3g1c h ALA 70 Cb 0.77 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3g1c h ALA 70 CO 0.02 -0.04 0.46 1.15 0.00 0.00 0.00 179.25 180.84 3g1c h THR 71 N 0.14 1.03 -0.58 0.00 2.02 -1.76 -1.28 112.91 112.48 3g1c h THR 71 Ca 0.06 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3g1c h THR 71 Cb 0.33 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 3g1c h THR 71 CO 0.01 0.16 0.32 0.40 0.37 0.00 0.00 175.52 176.77 3g1c h ILE 72 N 0.85 1.19 -0.52 3.11 2.04 -0.90 -1.44 117.51 121.84 3g1c h ILE 72 Ca 0.33 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3g1c h ILE 72 Cb 0.14 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3g1c h ILE 72 CO -0.16 0.20 0.16 0.28 0.00 0.00 0.00 178.15 178.63 3g1c h SER 73 N 0.78 0.76 -0.17 1.72 0.02 -0.51 -0.67 113.55 115.47 3g1c h SER 73 Ca 0.20 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3g1c h SER 73 Cb 0.03 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3g1c h SER 73 CO -0.03 0.76 -0.01 0.03 -1.14 0.00 0.00 176.83 176.44 3g1c h ARG 74 N 0.71 0.05 -0.86 3.45 3.08 -0.99 -1.62 114.38 118.20 3g1c h ARG 74 Ca 0.17 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.27 3g1c h ARG 74 Cb 0.28 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 3g1c h ARG 74 CO -0.00 0.03 0.54 0.28 -1.07 0.00 0.00 179.97 179.74 3g1c h VAL 75 N 0.05 1.06 -0.32 2.04 2.07 -1.08 -1.55 116.25 118.51 3g1c h VAL 75 Ca 0.08 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3g1c h VAL 75 Cb 0.10 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3g1c h VAL 75 CO -0.14 0.18 0.12 -1.13 0.02 0.00 0.00 177.57 176.62 3g1c h ASN 76 N 0.99 0.40 -0.38 0.57 -0.73 -0.47 0.12 115.58 116.08 3g1c h ASN 76 Ca 0.37 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.49 3g1c h ASN 76 Cb 0.15 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 3g1c h ASN 76 CO -0.17 0.37 0.16 0.03 -0.37 0.00 0.00 177.43 177.46 3g1c h ARG 77 N 0.45 0.56 -0.01 6.67 3.08 -0.36 -2.21 114.38 122.56 3g1c h ARG 77 Ca 0.11 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3g1c h ARG 77 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3g1c h ARG 77 CO -0.01 0.52 -0.37 0.77 -1.07 0.00 0.00 179.97 179.81 3g1c h SER 78 N 0.47 0.02 -0.37 7.04 0.02 -1.03 0.25 113.55 119.95 3g1c h SER 78 Ca 0.13 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3g1c h SER 78 Cb 0.16 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3g1c h SER 78 CO -0.01 0.39 -0.31 0.25 -1.14 0.00 0.00 176.83 176.01 3g1c h LEU 79 N 0.02 0.91 0.00 5.07 5.85 -0.66 -3.00 115.31 123.50 3g1c h LEU 79 Ca -0.00 -0.45 -0.25 0.00 0.84 0.00 0.00 57.88 58.01 3g1c h LEU 79 Cb 0.66 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3g1c h LEU 79 CO 0.05 1.17 -2.01 0.59 -0.34 0.00 0.00 178.44 177.90 3g1c n ASN 80 N -4.16 0.32 -2.23 1.25 4.13 -0.84 -4.45 115.26 109.28 3g1c n ASN 80 Ca -0.02 0.14 -0.15 0.00 1.68 0.00 0.00 54.58 56.23 3g1c n ASN 80 Cb 0.50 0.83 0.04 0.00 -1.54 0.00 0.00 39.78 39.60 3g1c n ASN 80 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3g1c n TYR 81 N -2.74 2.12 -1.46 3.10 4.01 0.85 -5.03 117.16 118.01 3g1c n TYR 81 Ca -0.21 -2.14 0.00 0.00 -0.16 0.00 0.00 57.90 55.39 3g1c n TYR 81 Cb 0.98 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 3g1c n TYR 81 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g1c n GLY 82 N -0.67 5.17 0.72 2.72 0.00 -1.13 -4.83 105.19 107.17 3g1c n GLY 82 Ca 0.30 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.81 3g1c n GLY 82 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g1c n ASN 83 N 0.00 2.16 -1.77 1.61 5.03 -1.26 -4.92 115.26 116.10 3g1c n ASN 83 Ca 0.00 -1.80 -0.17 0.00 0.87 0.00 0.00 54.58 53.48 3g1c n ASN 83 Cb 0.00 -0.14 -0.02 0.00 -1.02 0.00 0.00 39.78 38.59 3g1c n ASN 83 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3g1c n ASP 84 N 0.65 -5.00 -0.08 6.41 8.00 -1.26 -4.92 116.55 120.34 3g1c n ASP 84 Ca 0.17 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 3g1c n ASP 84 Cb 0.41 -4.08 -0.01 0.00 -0.02 0.00 0.00 41.12 37.42 3g1c n ASP 84 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3g1c h GLY 85 N 0.00 0.93 1.00 0.44 0.00 -1.91 -2.59 103.07 100.94 3g1c h GLY 85 Ca -0.39 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 45.93 3g1c h GLY 85 CO 0.48 0.91 0.01 -0.97 0.00 0.00 0.00 176.54 176.98 3g1c h TYR 86 N 0.67 0.02 -0.50 5.60 0.05 -1.92 -2.43 116.97 118.47 3g1c h TYR 86 Ca 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 3g1c h TYR 86 Cb 1.06 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 3g1c h TYR 86 CO 0.06 0.02 0.14 -0.44 -1.05 0.00 0.00 178.16 176.88 3g1c h ASP 87 N 0.02 0.69 -0.31 3.88 3.32 -1.91 0.41 116.42 122.51 3g1c h ASP 87 Ca 0.01 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 3g1c h ASP 87 Cb -0.00 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3g1c h ASP 87 CO -0.00 0.67 -0.47 -0.09 -1.72 0.00 0.00 179.24 177.62 3g1c h ARG 88 N 0.72 0.89 -0.32 3.56 2.43 -1.36 -0.92 114.38 119.39 3g1c h ARG 88 Ca 0.16 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3g1c h ARG 88 Cb 0.24 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3g1c h ARG 88 CO -0.01 1.16 0.21 0.28 -1.51 0.00 0.00 179.97 180.10 3g1c h VAL 89 N 0.70 1.09 -0.55 0.20 2.07 -0.74 -0.00 116.25 119.02 3g1c h VAL 89 Ca 0.04 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3g1c h VAL 89 Cb 1.07 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3g1c h VAL 89 CO 0.11 0.08 0.35 -0.26 0.02 0.00 0.00 177.57 177.88 3g1c h PHE 90 N 0.42 0.70 -0.18 1.57 0.04 -0.69 0.18 116.94 118.99 3g1c h PHE 90 Ca 0.12 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3g1c h PHE 90 Cb -0.04 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3g1c h PHE 90 CO -0.05 0.46 0.10 1.49 -0.60 0.00 0.00 178.31 179.71 3g1c h GLU 91 N 0.75 0.26 -0.52 1.51 4.57 -1.10 -1.41 114.58 118.63 3g1c h GLU 91 Ca 0.20 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3g1c h GLU 91 Cb -0.06 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3g1c h GLU 91 CO -0.04 0.25 0.09 -0.09 -1.18 0.00 0.00 179.01 178.03 3g1c h ARG 92 N 0.20 0.87 -0.17 1.92 2.43 -0.05 -2.99 114.38 116.58 3g1c h ARG 92 Ca 0.06 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3g1c h ARG 92 Cb 0.06 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3g1c h ARG 92 CO -0.01 0.85 0.00 1.28 -1.51 0.00 0.00 179.97 180.58 3g1c n LEU 93 N -4.39 1.90 -3.70 3.80 4.77 0.56 -4.94 117.00 115.01 3g1c n LEU 93 Ca 0.02 -0.77 -0.24 0.00 -0.03 0.00 0.00 56.01 54.98 3g1c n LEU 93 Cb 0.26 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3g1c n LEU 93 CO 0.41 0.39 0.09 0.61 -1.33 0.00 0.00 177.39 177.56 3g1c n GLY 94 N 1.19 -0.42 0.11 -0.72 0.00 -0.59 -4.90 105.19 99.86 3g1c n GLY 94 Ca 0.17 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.43 3g1c n GLY 94 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1c h MET 95 N -2.14 0.00 -6.14 1.61 2.86 -1.68 -3.46 114.93 105.98 3g1c h MET 95 Ca -0.59 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.48 3g1c h MET 95 Cb 1.36 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.97 3g1c h MET 95 CO 0.58 0.12 0.81 -0.51 1.06 0.00 0.00 176.91 178.97 3g1c s LEU 96 N -5.60 4.16 -0.32 1.22 1.43 -1.26 -4.94 118.68 113.36 3g1c s LEU 96 Ca -0.01 1.53 -0.35 0.00 -1.03 0.00 0.00 54.13 54.27 3g1c s LEU 96 Cb 0.09 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.65 3g1c s LEU 96 CO 0.79 -0.67 2.16 -0.62 0.23 0.00 0.00 176.35 178.23 3g1c n GLU 97 N 6.21 1.18 0.00 1.70 -0.58 -1.26 -5.11 120.64 122.78 3g1c n GLU 97 Ca 0.12 0.33 0.16 0.00 -0.42 0.00 0.00 57.16 57.35 3g1c n GLU 97 Cb 0.46 -2.49 0.92 0.00 -0.57 0.00 0.00 31.44 29.76 3g1c n GLU 97 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28