#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mba s LEU 2 N 0.00 4.09 0.80 1.04 1.02 -0.63 -5.02 118.68 119.98 3mba s LEU 2 Ca 0.00 0.02 -0.12 0.00 0.02 0.00 0.00 54.13 54.05 3mba s LEU 2 Cb 0.00 -2.67 0.07 0.00 0.02 0.00 0.00 46.19 43.61 3mba s LEU 2 CO 0.00 0.05 1.10 -0.94 0.02 0.00 0.00 176.35 176.58 3mba s SER 3 N -3.26 4.48 0.37 2.29 1.04 -1.26 -4.00 113.70 113.36 3mba s SER 3 Ca 0.33 1.27 0.06 0.00 0.48 0.00 0.00 55.95 58.09 3mba s SER 3 Cb -0.10 -1.99 0.73 0.00 0.10 0.00 0.00 66.02 64.75 3mba s SER 3 CO 0.26 -1.97 1.94 0.00 0.98 0.00 0.00 173.24 174.45 3mba h ALA 4 N -1.09 1.51 0.42 5.32 0.00 -1.96 0.18 119.26 123.63 3mba h ALA 4 Ca -0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3mba h ALA 4 Cb 1.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3mba h ALA 4 CO 0.60 0.36 -0.20 0.00 0.00 0.00 0.00 179.25 180.01 3mba h ALA 5 N 1.61 -0.56 -0.50 0.00 0.00 -1.99 -2.31 119.26 115.51 3mba h ALA 5 Ca 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3mba h ALA 5 Cb 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3mba h ALA 5 CO -0.00 -0.75 0.10 0.93 0.00 0.00 0.00 179.25 179.53 3mba h GLU 6 N -0.69 0.81 -0.35 0.00 5.08 -1.88 -2.37 114.58 115.18 3mba h GLU 6 Ca -0.06 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3mba h GLU 6 Cb 0.50 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3mba h GLU 6 CO 0.09 0.79 0.23 0.00 -1.00 0.00 0.00 179.01 179.13 3mba h ALA 7 N 0.98 1.74 -0.55 3.43 0.00 -0.62 -1.42 119.26 122.83 3mba h ALA 7 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3mba h ALA 7 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mba h ALA 7 CO 0.01 0.24 -0.12 -0.44 0.00 0.00 0.00 179.25 178.94 3mba h ASP 8 N 0.48 1.05 -0.72 0.00 3.45 -0.97 -0.24 116.42 119.47 3mba h ASP 8 Ca 0.13 -0.35 -0.03 0.00 0.43 0.00 0.00 57.03 57.21 3mba h ASP 8 Cb -0.05 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.40 3mba h ASP 8 CO -0.03 1.16 0.34 -0.07 -1.57 0.00 0.00 179.24 179.07 3mba h LEU 9 N 0.92 0.94 -0.51 1.55 3.38 -0.89 0.06 115.31 120.77 3mba h LEU 9 Ca 0.14 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3mba h LEU 9 Cb 0.69 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3mba h LEU 9 CO 0.05 0.82 -0.01 0.00 0.09 0.00 0.00 178.44 179.39 3mba h ALA 10 N 1.16 0.69 -0.41 1.53 0.00 -0.99 -2.38 119.26 118.85 3mba h ALA 10 Ca 0.24 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3mba h ALA 10 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mba h ALA 10 CO -0.03 0.51 -0.18 0.78 0.00 0.00 0.00 179.25 180.33 3mba h GLY 11 N 0.77 0.86 1.03 0.00 0.00 -0.69 -0.97 103.07 104.06 3mba h GLY 11 Ca 0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 3mba h GLY 11 CO 0.03 0.64 0.33 0.50 0.00 0.00 0.00 176.54 178.04 3mba h LYS 12 N 0.70 1.09 0.00 4.80 6.56 -0.79 -1.80 116.57 127.13 3mba h LYS 12 Ca 0.11 -0.18 -0.14 0.00 -1.06 0.00 0.00 60.65 59.37 3mba h LYS 12 Cb 0.68 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 3mba h LYS 12 CO 0.05 0.87 -0.68 0.66 -2.06 0.00 0.00 179.45 178.30 3mba h SER 13 N 1.06 0.00 0.57 0.86 4.64 -1.22 -3.29 113.55 116.18 3mba h SER 13 Ca 0.25 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.39 3mba h SER 13 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3mba h SER 13 CO -0.03 0.68 -0.83 -0.25 -0.87 0.00 0.00 176.83 175.53 3mba h TRP 14 N 0.00 0.26 -0.32 4.77 2.91 -0.82 -3.37 115.95 119.38 3mba h TRP 14 Ca -0.01 -0.14 0.07 0.00 1.13 0.00 0.00 58.89 59.95 3mba h TRP 14 Cb 1.32 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.85 3mba h TRP 14 CO 0.00 0.92 -0.31 0.00 -1.03 0.00 0.00 178.44 178.02 3mba h ALA 15 N 1.03 -0.21 -0.70 2.65 0.00 -1.40 0.23 119.26 120.87 3mba h ALA 15 Ca -0.03 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3mba h ALA 15 Cb 1.43 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 3mba h ALA 15 CO 0.12 -0.73 0.46 -1.35 0.00 0.00 0.00 179.25 177.75 3mba h PRO 16 N -0.28 0.72 0.37 0.00 0.11 -1.77 -0.36 132.00 130.79 3mba h PRO 16 Ca 0.15 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3mba h PRO 16 Cb 0.53 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3mba h PRO 16 CO -0.48 0.48 -0.18 0.28 -0.21 0.00 0.00 178.00 177.89 3mba h VAL 17 N 0.74 0.57 0.00 3.15 2.07 -1.25 -3.09 116.25 118.45 3mba h VAL 17 Ca 0.30 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3mba h VAL 17 Cb 0.22 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3mba h VAL 17 CO -0.09 0.09 -0.03 0.15 0.02 0.00 0.00 177.57 177.71 3mba h PHE 18 N -0.83 0.00 -0.95 1.57 3.57 -0.42 -3.06 116.94 116.81 3mba h PHE 18 Ca -0.05 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.66 3mba h PHE 18 Cb 0.53 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 3mba h PHE 18 CO 0.02 0.03 0.62 0.00 -2.23 0.00 0.00 178.31 176.74 3mba h ALA 19 N 1.97 2.08 -2.20 2.41 0.00 -0.97 -2.30 119.26 120.25 3mba h ALA 19 Ca -0.00 0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.35 3mba h ALA 19 Cb 0.29 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.62 3mba h ALA 19 CO 0.00 -0.40 -0.63 0.09 0.00 0.00 0.00 179.25 178.32 3mba n ASN 20 N -4.58 3.71 -0.09 0.00 3.02 -1.15 -4.96 115.26 111.19 3mba n ASN 20 Ca 0.21 -3.45 -0.06 0.00 -0.03 0.00 0.00 54.58 51.25 3mba n ASN 20 Cb 0.69 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 3mba n ASN 20 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3mba h LYS 21 N 3.97 0.06 0.76 3.52 3.64 -1.55 -0.50 116.57 126.47 3mba h LYS 21 Ca 0.18 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3mba h LYS 21 Cb 0.65 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3mba h LYS 21 CO 0.82 0.04 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.73 3mba h ASN 22 N 0.06 -0.95 -0.28 4.20 -0.26 -1.93 0.21 115.58 116.63 3mba h ASN 22 Ca 0.16 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 3mba h ASN 22 Cb 0.23 0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 3mba h ASN 22 CO -0.29 -0.65 0.08 0.00 -1.06 0.00 0.00 177.43 175.51 3mba h ALA 23 N -0.83 0.37 -0.23 -0.83 0.00 -1.96 -2.46 119.26 113.32 3mba h ALA 23 Ca -0.10 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3mba h ALA 23 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3mba h ALA 23 CO 0.15 0.00 -0.50 -0.91 0.00 0.00 0.00 179.25 178.00 3mba h ASN 24 N 0.29 0.68 0.09 0.00 2.35 -1.13 -1.89 115.58 115.98 3mba h ASN 24 Ca 0.09 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3mba h ASN 24 Cb 0.25 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3mba h ASN 24 CO -0.00 1.06 -0.04 1.23 -1.65 0.00 0.00 177.43 178.02 3mba h GLY 25 N 1.00 -0.13 1.00 2.83 0.00 -0.58 -0.16 103.07 107.02 3mba h GLY 25 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3mba h GLY 25 CO 0.10 -0.05 0.46 1.41 0.00 0.00 0.00 176.54 178.46 3mba h LEU 26 N -0.25 0.79 -1.46 3.11 4.07 -1.44 -2.60 115.31 117.54 3mba h LEU 26 Ca -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 3mba h LEU 26 Cb 0.21 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3mba h LEU 26 CO 0.02 0.57 0.09 0.44 -1.08 0.00 0.00 178.44 178.48 3mba h ASP 27 N 0.93 0.41 -0.42 -0.43 5.19 -1.02 -1.75 116.42 119.33 3mba h ASP 27 Ca 0.26 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.54 3mba h ASP 27 Cb -0.10 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3mba h ASP 27 CO -0.06 0.40 -0.06 0.15 -3.12 0.00 0.00 179.24 176.56 3mba h PHE 28 N 0.45 0.87 -0.05 4.55 3.57 -0.65 -1.17 116.94 124.50 3mba h PHE 28 Ca 0.11 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3mba h PHE 28 Cb 0.15 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3mba h PHE 28 CO 0.00 0.88 0.02 1.25 -2.23 0.00 0.00 178.31 178.23 3mba h LEU 29 N 0.61 0.08 -0.52 0.59 5.85 -1.28 -1.74 115.31 118.90 3mba h LEU 29 Ca 0.11 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3mba h LEU 29 Cb 0.57 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3mba h LEU 29 CO 0.03 0.27 0.25 0.58 -0.34 0.00 0.00 178.44 179.24 3mba h VAL 30 N -0.12 0.94 -1.00 1.05 2.07 -1.27 -1.36 116.25 116.57 3mba h VAL 30 Ca 0.02 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3mba h VAL 30 Cb 0.22 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3mba h VAL 30 CO -0.00 0.09 0.65 0.00 0.02 0.00 0.00 177.57 178.33 3mba h ALA 31 N 1.29 1.34 0.36 1.67 0.00 -1.06 -1.19 119.26 121.66 3mba h ALA 31 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3mba h ALA 31 Cb 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mba h ALA 31 CO -0.17 0.51 -0.17 1.25 0.00 0.00 0.00 179.25 180.67 3mba h LEU 32 N 1.23 -0.41 -1.84 0.00 5.85 -0.79 -1.88 115.31 117.48 3mba h LEU 32 Ca 0.41 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.07 3mba h LEU 32 Cb 0.05 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3mba h LEU 32 CO -0.14 -0.14 0.18 -0.26 -0.34 0.00 0.00 178.44 177.74 3mba h PHE 33 N -0.67 0.20 -0.10 1.25 0.04 -1.02 0.51 116.94 117.15 3mba h PHE 33 Ca -0.05 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 3mba h PHE 33 Cb 0.47 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3mba h PHE 33 CO -0.01 0.11 -0.26 0.93 -0.60 0.00 0.00 178.31 178.49 3mba h GLU 34 N 0.20 0.35 0.00 1.51 5.08 -1.10 -2.92 114.58 117.70 3mba h GLU 34 Ca 0.11 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3mba h GLU 34 Cb 0.21 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3mba h GLU 34 CO -0.02 0.86 -0.49 0.87 -1.00 0.00 0.00 179.01 179.23 3mba h LYS 35 N -0.11 0.00 -2.27 2.33 1.57 -0.80 -3.39 116.57 113.90 3mba h LYS 35 Ca -0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 3mba h LYS 35 Cb 0.87 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.80 3mba h LYS 35 CO 0.06 0.36 -1.01 1.19 -0.57 0.00 0.00 179.45 179.48 3mba n PHE 36 N -3.15 -0.73 -0.24 -1.35 3.72 0.17 -4.98 117.46 110.89 3mba n PHE 36 Ca 0.01 -3.38 0.19 0.00 -0.05 0.00 0.00 57.45 54.22 3mba n PHE 36 Cb 0.70 0.09 0.52 0.00 -0.94 0.00 0.00 39.48 39.84 3mba n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3mba h PRO 37 N 5.17 0.38 -0.04 -1.08 0.13 -1.71 -1.63 132.00 133.23 3mba h PRO 37 Ca 0.21 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.33 3mba h PRO 37 Cb 0.90 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3mba h PRO 37 CO 0.40 0.25 0.06 0.38 -0.23 0.00 0.00 178.00 178.86 3mba h ASP 38 N 0.40 0.00 0.21 1.44 2.03 -1.94 -2.77 116.42 115.79 3mba h ASP 38 Ca 0.46 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.73 3mba h ASP 38 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3mba h ASP 38 CO -0.17 0.00 -0.16 0.77 -1.03 0.00 0.00 179.24 178.65 3mba h SER 39 N 0.00 0.00 0.18 4.15 4.64 -1.65 -2.58 113.55 118.29 3mba h SER 39 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3mba h SER 39 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3mba h SER 39 CO -0.00 0.16 -0.20 0.00 -0.87 0.00 0.00 176.83 175.92 3mba h ALA 40 N 1.84 1.61 0.00 5.18 0.00 -1.68 -2.21 119.26 123.99 3mba h ALA 40 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3mba h ALA 40 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mba h ALA 40 CO 0.02 0.29 0.00 -0.91 0.00 0.00 0.00 179.25 178.65 3mba h ASN 41 N 0.05 0.00 1.37 0.00 2.35 -1.65 -2.48 115.58 115.22 3mba h ASN 41 Ca 0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 3mba h ASN 41 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3mba h ASN 41 CO 0.03 0.00 -0.42 -0.26 -1.65 0.00 0.00 177.43 175.12 3mba h PHE 42 N 0.00 0.00 -3.36 1.19 0.04 -1.55 -3.44 116.94 109.82 3mba h PHE 42 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3mba h PHE 42 Cb 0.21 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.30 3mba h PHE 42 CO 0.00 0.42 0.12 -0.06 -0.60 0.00 0.00 178.31 178.19 3mba s PHE 43 N -3.14 3.50 0.23 -0.55 0.08 -0.94 -4.94 117.98 112.22 3mba s PHE 43 Ca 0.03 1.14 -0.07 0.00 0.12 0.00 0.00 56.93 58.15 3mba s PHE 43 Cb 0.08 -2.81 0.28 0.00 -0.57 0.00 0.00 43.02 40.00 3mba s PHE 43 CO 0.72 -0.01 1.85 0.00 -0.10 0.00 0.00 175.22 177.67 3mba h ALA 44 N 7.01 1.08 0.00 5.36 0.00 -1.85 -1.43 119.26 129.43 3mba h ALA 44 Ca -0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3mba h ALA 44 Cb 1.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mba h ALA 44 CO 0.77 0.25 -0.38 -0.44 0.00 0.00 0.00 179.25 179.45 3mba h ASP 45 N 0.92 0.00 -0.04 0.00 3.45 -1.92 -3.27 116.42 115.56 3mba h ASP 45 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3mba h ASP 45 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3mba h ASP 45 CO -0.15 0.38 0.00 0.49 -1.57 0.00 0.00 179.24 178.39 3mba n PHE 46 N -3.90 0.04 -1.72 4.55 0.99 -1.02 -4.95 117.46 111.45 3mba n PHE 46 Ca -0.01 -0.05 -0.43 0.00 -0.00 0.00 0.00 57.45 56.96 3mba n PHE 46 Cb 0.44 -0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.89 3mba n PHE 46 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3mba n LYS 47 N 0.58 2.61 0.00 -1.08 0.00 -0.57 -2.23 118.16 117.47 3mba n LYS 47 Ca 0.07 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.31 3mba n LYS 47 Cb 0.28 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.58 3mba n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mba n GLY 48 N 2.97 2.45 3.77 3.14 0.00 -1.26 -5.01 105.19 111.24 3mba n GLY 48 Ca 0.12 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3mba n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mba s LYS 49 N 0.00 2.59 0.44 1.61 1.02 -0.95 -5.05 119.74 119.40 3mba s LYS 49 Ca 0.00 1.35 0.01 0.00 0.02 0.00 0.00 55.97 57.35 3mba s LYS 49 Cb 0.00 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3mba s LYS 49 CO 0.00 -1.41 0.65 -1.54 -0.92 0.00 0.00 175.35 172.14 3mba s SER 50 N -2.79 5.82 0.53 2.83 1.04 -1.26 -4.90 113.70 114.97 3mba s SER 50 Ca 0.66 0.23 0.25 0.00 0.48 0.00 0.00 55.95 57.56 3mba s SER 50 Cb -0.20 -1.48 1.39 0.00 0.10 0.00 0.00 66.02 65.84 3mba s SER 50 CO 0.46 -0.69 1.99 0.58 0.98 0.00 0.00 173.24 176.56 3mba h VAL 51 N 0.43 0.73 -0.27 5.02 2.07 -1.97 -0.30 116.25 121.96 3mba h VAL 51 Ca -0.46 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 3mba h VAL 51 Cb 1.25 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3mba h VAL 51 CO 0.57 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.88 3mba h ALA 52 N 1.73 0.40 -0.69 1.67 0.00 -1.99 -0.92 119.26 119.46 3mba h ALA 52 Ca 0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3mba h ALA 52 Cb 1.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3mba h ALA 52 CO -0.00 0.41 0.37 -0.44 0.00 0.00 0.00 179.25 179.58 3mba h ASP 53 N 0.40 0.86 -0.28 0.00 3.45 -1.60 -1.52 116.42 117.73 3mba h ASP 53 Ca 0.04 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 3mba h ASP 53 Cb 0.84 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 3mba h ASP 53 CO 0.07 0.71 0.09 0.40 -1.57 0.00 0.00 179.24 178.94 3mba h ILE 54 N 0.94 1.20 -0.49 0.35 2.04 -0.98 -1.71 117.51 118.86 3mba h ILE 54 Ca 0.24 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3mba h ILE 54 Cb 0.04 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3mba h ILE 54 CO -0.04 0.21 0.33 0.11 0.00 0.00 0.00 178.15 178.76 3mba h LYS 55 N 0.30 0.65 -0.01 2.37 1.57 -0.83 -1.59 116.57 119.03 3mba h LYS 55 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3mba h LYS 55 Cb 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3mba h LYS 55 CO -0.00 0.43 -0.18 0.00 -0.57 0.00 0.00 179.45 179.12 3mba n ALA 56 N -2.46 2.91 -2.24 3.86 0.00 -0.60 -4.92 120.51 117.07 3mba n ALA 56 Ca 0.04 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 3mba n ALA 56 Cb 0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3mba n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mba s SER 57 N -2.46 6.89 0.00 0.00 0.15 -0.60 -4.89 113.70 112.79 3mba s SER 57 Ca 0.27 2.24 0.13 0.00 0.70 0.00 0.00 55.95 59.29 3mba s SER 57 Cb 0.20 -2.58 0.65 0.00 -1.71 0.00 0.00 66.02 62.58 3mba s SER 57 CO 0.49 -0.61 1.31 -2.65 1.20 0.00 0.00 173.24 172.98 3mba n PRO 58 N 3.98 0.20 0.01 5.44 -0.02 -1.26 -2.09 135.00 141.26 3mba n PRO 58 Ca 0.11 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 3mba n PRO 58 Cb 0.43 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 3mba n PRO 58 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mba n LYS 59 N -1.26 0.30 -0.12 -0.52 5.02 -1.26 -4.51 118.16 115.81 3mba n LYS 59 Ca 0.06 -0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 3mba n LYS 59 Cb 0.10 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3mba n LYS 59 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3mba h LEU 60 N 0.00 -0.08 -0.93 -0.35 5.85 -1.69 -2.69 115.31 115.42 3mba h LEU 60 Ca 0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3mba h LEU 60 Cb 0.74 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3mba h LEU 60 CO 0.00 -0.00 0.59 -0.09 -0.34 0.00 0.00 178.44 178.59 3mba h ARG 61 N 0.16 1.03 -0.60 1.25 9.65 -1.79 0.23 114.38 124.32 3mba h ARG 61 Ca 0.20 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 3mba h ARG 61 Cb 0.27 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 3mba h ARG 61 CO -0.30 0.68 0.35 -0.44 2.80 0.00 0.00 179.97 183.06 3mba h ASP 62 N 1.07 0.73 0.14 -3.80 5.19 -1.77 -0.59 116.42 117.39 3mba h ASP 62 Ca 0.40 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 3mba h ASP 62 Cb 0.18 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3mba h ASP 62 CO -0.18 0.59 -0.06 0.58 -3.12 0.00 0.00 179.24 177.05 3mba h VAL 63 N 0.81 1.02 -0.00 -1.35 2.07 -1.29 -2.54 116.25 114.97 3mba h VAL 63 Ca 0.21 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 3mba h VAL 63 Cb 0.01 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3mba h VAL 63 CO -0.04 0.17 -0.53 0.77 0.02 0.00 0.00 177.57 177.96 3mba h SER 64 N -0.53 0.00 -0.17 0.57 4.64 -0.95 -2.56 113.55 114.56 3mba h SER 64 Ca -0.02 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 3mba h SER 64 Cb 0.42 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3mba h SER 64 CO 0.03 0.53 -0.61 0.77 -0.87 0.00 0.00 176.83 176.68 3mba h SER 65 N 0.00 0.88 0.03 4.97 4.64 -1.14 -1.12 113.55 121.81 3mba h SER 65 Ca -0.01 -0.50 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 3mba h SER 65 Cb 0.94 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3mba h SER 65 CO 0.07 1.28 -0.12 0.08 -0.87 0.00 0.00 176.83 177.27 3mba h ARG 66 N 0.58 0.20 -0.06 4.77 0.11 -1.36 0.55 114.38 119.17 3mba h ARG 66 Ca -0.00 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 59.92 3mba h ARG 66 Cb 1.21 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 32.27 3mba h ARG 66 CO 0.13 0.32 -0.39 0.82 0.10 0.00 0.00 179.97 180.95 3mba h ILE 67 N 0.19 1.43 -0.01 0.08 2.04 -1.29 -2.93 117.51 117.01 3mba h ILE 67 Ca 0.04 -1.82 -0.11 0.00 1.00 0.00 0.00 64.86 63.97 3mba h ILE 67 Cb 0.33 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 3mba h ILE 67 CO 0.02 0.53 -0.50 -0.26 0.00 0.00 0.00 178.15 177.94 3mba h PHE 68 N -0.13 0.04 -0.31 1.37 0.05 -0.94 -0.66 116.94 116.36 3mba h PHE 68 Ca -0.03 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.70 3mba h PHE 68 Cb 1.06 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.99 3mba h PHE 68 CO 0.13 0.52 0.02 1.15 -0.18 0.00 0.00 178.31 179.96 3mba h THR 69 N 0.02 1.25 -0.43 -1.55 2.02 -0.94 -1.92 112.91 111.36 3mba h THR 69 Ca -0.00 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 3mba h THR 69 Cb 0.89 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3mba h THR 69 CO 0.07 0.29 -0.06 -0.09 0.37 0.00 0.00 175.52 176.09 3mba h ARG 70 N 0.35 0.81 -0.88 6.66 9.65 -1.37 -2.98 114.38 126.62 3mba h ARG 70 Ca 0.09 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 3mba h ARG 70 Cb 0.40 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 3mba h ARG 70 CO 0.01 0.91 0.51 1.25 2.80 0.00 0.00 179.97 185.45 3mba h LEU 71 N 0.64 1.06 -0.70 3.80 6.46 -1.06 -1.19 115.31 124.33 3mba h LEU 71 Ca 0.11 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3mba h LEU 71 Cb 0.58 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3mba h LEU 71 CO 0.03 0.83 0.39 -1.13 -0.62 0.00 0.00 178.44 177.94 3mba h ASN 72 N 1.21 0.87 -0.68 1.25 -1.24 -1.20 -0.66 115.58 115.13 3mba h ASN 72 Ca 0.31 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 3mba h ASN 72 Cb -0.03 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 3mba h ASN 72 CO -0.06 0.71 0.37 -0.33 -1.29 0.00 0.00 177.43 176.84 3mba h GLU 73 N 0.97 0.97 -0.61 6.67 4.39 -1.25 0.37 114.58 126.09 3mba h GLU 73 Ca 0.25 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 3mba h GLU 73 Cb 0.03 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3mba h GLU 73 CO -0.04 0.72 0.01 0.74 -1.16 0.00 0.00 179.01 179.28 3mba h PHE 74 N 0.98 1.16 -0.43 4.33 -1.00 -0.42 -2.04 116.94 119.52 3mba h PHE 74 Ca 0.25 -0.20 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 3mba h PHE 74 Cb 0.04 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 3mba h PHE 74 CO 0.01 1.02 -0.08 0.28 -1.61 0.00 0.00 178.31 177.93 3mba h VAL 75 N 0.97 1.27 0.00 -0.55 2.07 -0.13 -0.87 116.25 119.01 3mba h VAL 75 Ca 0.17 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 3mba h VAL 75 Cb 0.55 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3mba h VAL 75 CO 0.03 0.40 -0.07 0.78 0.02 0.00 0.00 177.57 178.73 3mba h ASN 76 N 0.64 0.00 -0.07 0.57 2.35 -0.10 -3.08 115.58 115.90 3mba h ASN 76 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3mba h ASN 76 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3mba h ASN 76 CO 0.04 0.07 0.00 0.59 -1.65 0.00 0.00 177.43 176.48 3mba n ASN 77 N -4.18 2.08 -0.36 5.81 5.03 -0.79 -4.77 115.26 118.08 3mba n ASN 77 Ca -0.03 -1.55 0.27 0.00 0.87 0.00 0.00 54.58 54.15 3mba n ASN 77 Cb 0.15 -0.04 0.56 0.00 -1.02 0.00 0.00 39.78 39.43 3mba n ASN 77 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mba h ALA 78 N 2.09 2.40 -0.10 5.41 0.00 -1.06 0.05 119.26 128.04 3mba h ALA 78 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mba h ALA 78 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3mba h ALA 78 CO 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 179.25 178.38 3mba n ALA 79 N -2.49 2.55 -3.79 0.00 0.00 -1.26 -1.60 120.51 113.93 3mba n ALA 79 Ca 0.29 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 3mba n ALA 79 Cb 1.05 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 3mba n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3mba s ASN 80 N -1.64 5.22 0.54 0.00 3.84 0.00 -4.80 114.94 118.11 3mba s ASN 80 Ca 0.32 -2.03 0.26 0.00 0.21 0.00 0.00 52.86 51.62 3mba s ASN 80 Cb 0.17 -1.82 1.42 0.00 -0.55 0.00 0.00 41.25 40.47 3mba s ASN 80 CO 0.26 -0.53 2.00 0.00 -2.79 0.00 0.00 177.10 176.04 3mba h ALA 81 N 8.02 2.44 0.04 1.71 0.00 -1.82 -1.11 119.26 128.54 3mba h ALA 81 Ca -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mba h ALA 81 Cb 1.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mba h ALA 81 CO 0.68 -0.64 -0.02 0.78 0.00 0.00 0.00 179.25 180.05 3mba h GLY 82 N 0.00 -0.06 1.62 0.00 0.00 -1.93 -2.33 103.07 100.37 3mba h GLY 82 Ca 0.24 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 3mba h GLY 82 CO -0.00 -0.02 -0.45 0.50 0.00 0.00 0.00 176.54 176.56 3mba h LYS 83 N -0.54 0.42 -0.84 4.80 1.57 -1.80 -3.00 116.57 117.17 3mba h LYS 83 Ca -0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3mba h LYS 83 Cb 0.49 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3mba h LYS 83 CO 0.01 0.79 0.45 0.52 -0.57 0.00 0.00 179.45 180.65 3mba h MET 84 N 0.34 1.17 0.17 3.15 2.86 -1.24 -1.06 114.93 120.31 3mba h MET 84 Ca 0.02 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3mba h MET 84 Cb 0.93 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 3mba h MET 84 CO 0.08 0.86 -0.53 0.77 1.06 0.00 0.00 176.91 179.15 3mba h SER 85 N 1.17 -1.58 -0.21 1.22 0.02 -1.27 0.45 113.55 113.37 3mba h SER 85 Ca 0.29 0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 61.26 3mba h SER 85 Cb 0.04 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3mba h SER 85 CO -0.05 -0.58 -0.41 0.00 -1.14 0.00 0.00 176.83 174.66 3mba h ALA 86 N -0.59 0.70 0.12 3.77 0.00 -1.60 -1.98 119.26 119.68 3mba h ALA 86 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3mba h ALA 86 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3mba h ALA 86 CO -0.26 0.67 -0.06 0.52 0.00 0.00 0.00 179.25 180.12 3mba h MET 87 N 0.61 -0.15 -0.87 0.00 2.86 -0.99 -1.43 114.93 114.95 3mba h MET 87 Ca 0.05 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3mba h MET 87 Cb 0.96 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 3mba h MET 87 CO 0.09 0.01 0.57 -0.07 1.06 0.00 0.00 176.91 178.57 3mba h LEU 88 N -0.29 0.96 0.77 1.22 3.38 -0.11 -0.70 115.31 120.54 3mba h LEU 88 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3mba h LEU 88 Cb 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3mba h LEU 88 CO 0.03 0.67 -0.41 0.28 0.09 0.00 0.00 178.44 179.10 3mba h SER 89 N 1.13 -0.99 -0.74 -0.43 0.02 -1.19 0.10 113.55 111.45 3mba h SER 89 Ca 0.34 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3mba h SER 89 Cb -0.05 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3mba h SER 89 CO -0.10 -0.67 0.47 -0.61 -1.14 0.00 0.00 176.83 174.78 3mba h GLN 90 N -1.08 0.99 -0.01 3.45 5.75 -1.21 -1.47 115.11 121.53 3mba h GLN 90 Ca -0.10 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3mba h GLN 90 Cb 0.85 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 3mba h GLN 90 CO 0.15 0.68 -0.01 0.35 -2.65 0.00 0.00 178.83 177.34 3mba h PHE 91 N 1.01 -0.03 -0.56 3.99 3.57 -0.95 -1.51 116.94 122.46 3mba h PHE 91 Ca 0.27 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3mba h PHE 91 Cb -0.08 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3mba h PHE 91 CO -0.02 -0.02 0.35 0.00 -2.23 0.00 0.00 178.31 176.39 3mba h ALA 92 N 0.98 0.72 -0.29 2.41 0.00 -0.59 -2.13 119.26 120.36 3mba h ALA 92 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3mba h ALA 92 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3mba h ALA 92 CO -0.02 0.08 0.12 0.87 0.00 0.00 0.00 179.25 180.31 3mba h LYS 93 N 0.69 0.26 0.46 0.00 1.57 -1.11 -1.23 116.57 117.21 3mba h LYS 93 Ca 0.22 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3mba h LYS 93 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3mba h LYS 93 CO -0.08 0.17 -0.22 0.93 -0.57 0.00 0.00 179.45 179.68 3mba h GLU 94 N 0.26 -0.59 -0.57 3.15 5.08 -1.08 -3.18 114.58 117.66 3mba h GLU 94 Ca 0.12 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3mba h GLU 94 Cb 0.07 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3mba h GLU 94 CO -0.11 -0.34 0.38 0.45 -1.00 0.00 0.00 179.01 178.39 3mba h HIS 95 N -0.72 0.71 -0.55 4.33 3.86 -1.30 -2.83 115.15 118.65 3mba h HIS 95 Ca -0.06 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3mba h HIS 95 Cb 0.52 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3mba h HIS 95 CO -0.02 0.44 0.37 0.28 0.86 0.00 0.00 177.93 179.86 3mba h VAL 96 N 0.77 1.02 0.00 2.45 2.07 -1.30 0.29 116.25 121.54 3mba h VAL 96 Ca 0.21 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3mba h VAL 96 Cb -0.08 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3mba h VAL 96 CO -0.05 0.10 -0.12 1.23 0.02 0.00 0.00 177.57 178.75 3mba h GLY 97 N 0.56 0.00 -0.23 2.17 0.00 -1.48 -1.43 103.07 102.66 3mba h GLY 97 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3mba h GLY 97 CO -0.06 0.00 -0.27 0.69 0.00 0.00 0.00 176.54 176.89 3mba n PHE 98 N -4.31 0.00 0.00 5.60 3.72 0.06 -4.95 117.46 117.58 3mba n PHE 98 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3mba n PHE 98 Cb 0.19 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3mba n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mba n GLY 99 N 1.34 0.82 3.73 1.37 0.00 -0.54 -5.02 105.19 106.89 3mba n GLY 99 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3mba n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mba s VAL 100 N -2.00 5.10 0.38 1.61 1.01 -1.00 -5.00 120.40 120.50 3mba s VAL 100 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3mba s VAL 100 Cb 0.00 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 3mba s VAL 100 CO 0.00 0.34 0.04 0.61 0.00 0.00 0.00 175.10 176.09 3mba n GLY 101 N 3.01 3.60 0.32 4.51 0.00 -1.26 -3.71 105.19 111.66 3mba n GLY 101 Ca -0.06 -2.25 0.15 0.00 0.00 0.00 0.00 46.02 43.85 3mba n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mba h SER 102 N 1.08 0.00 -0.84 1.61 4.64 -1.85 -2.48 113.55 115.71 3mba h SER 102 Ca -0.31 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3mba h SER 102 Cb 1.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 3mba h SER 102 CO 0.51 0.00 0.56 0.00 -0.87 0.00 0.00 176.83 177.03 3mba h ALA 103 N 1.86 1.40 0.00 5.18 0.00 -1.95 0.35 119.26 126.10 3mba h ALA 103 Ca 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mba h ALA 103 Cb 0.39 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3mba h ALA 103 CO -0.00 0.55 -0.29 1.96 0.00 0.00 0.00 179.25 181.47 3mba h GLN 104 N 1.14 0.00 0.00 0.00 7.50 -1.85 -2.86 115.11 119.04 3mba h GLN 104 Ca 0.31 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.23 3mba h GLN 104 Cb -0.13 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.37 3mba h GLN 104 CO -0.07 0.29 -1.20 0.74 -1.50 0.00 0.00 178.83 177.09 3mba h PHE 105 N 0.00 0.00 -0.89 2.96 0.04 -1.36 -3.00 116.94 114.70 3mba h PHE 105 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mba h PHE 105 Cb 0.75 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 3mba h PHE 105 CO 0.00 0.97 0.55 0.93 -0.60 0.00 0.00 178.31 180.16 3mba h GLU 106 N 0.00 1.19 0.11 1.51 4.39 -0.75 -1.38 114.58 119.65 3mba h GLU 106 Ca -0.10 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 3mba h GLU 106 Cb 1.82 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 3mba h GLU 106 CO 0.11 0.82 -0.05 -0.91 -1.16 0.00 0.00 179.01 177.81 3mba h ASN 107 N 1.21 -0.12 -0.32 1.42 2.35 -1.53 -1.49 115.58 117.10 3mba h ASN 107 Ca 0.32 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3mba h ASN 107 Cb -0.08 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 3mba h ASN 107 CO -0.06 0.13 -0.07 0.58 -1.65 0.00 0.00 177.43 176.35 3mba h VAL 108 N -0.38 0.69 -0.80 2.81 2.07 -1.38 -1.05 116.25 118.21 3mba h VAL 108 Ca -0.01 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3mba h VAL 108 Cb 0.31 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3mba h VAL 108 CO 0.02 0.00 0.52 -0.09 0.02 0.00 0.00 177.57 178.05 3mba h ARG 109 N 0.01 0.68 -0.59 1.57 2.43 -1.12 0.24 114.38 117.59 3mba h ARG 109 Ca 0.15 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3mba h ARG 109 Cb 0.23 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3mba h ARG 109 CO -0.33 0.45 0.03 0.77 -1.51 0.00 0.00 179.97 179.39 3mba h SER 110 N 0.70 1.00 0.07 -3.80 0.02 -0.11 -3.25 113.55 108.18 3mba h SER 110 Ca 0.37 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3mba h SER 110 Cb 0.51 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3mba h SER 110 CO -0.15 1.04 -1.24 1.15 -1.14 0.00 0.00 176.83 176.50 3mba n MET 111 N -4.24 0.20 0.09 3.45 0.00 -0.86 -4.66 117.12 111.11 3mba n MET 111 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 57.70 57.55 3mba n MET 111 Cb 0.32 -1.52 -0.06 0.00 0.00 0.00 0.00 33.22 31.96 3mba n MET 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 3mba h PHE 112 N 0.00 -0.23 -0.97 3.17 3.04 -0.57 -2.04 116.94 119.34 3mba h PHE 112 Ca 0.00 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.08 3mba h PHE 112 Cb 0.65 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 39.17 3mba h PHE 112 CO 0.00 -0.14 0.61 -1.35 -2.02 0.00 0.00 178.31 175.41 3mba h PRO 113 N -0.20 0.88 -0.84 6.41 0.11 -1.83 -1.06 132.00 135.47 3mba h PRO 113 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3mba h PRO 113 Cb 0.19 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3mba h PRO 113 CO -0.02 0.58 0.41 0.78 -0.21 0.00 0.00 178.00 179.53 3mba h GLY 114 N 0.91 1.30 0.83 -0.55 0.00 -1.80 -2.45 103.07 101.31 3mba h GLY 114 Ca 0.48 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3mba h GLY 114 CO -0.24 0.61 0.02 -2.75 0.00 0.00 0.00 176.54 174.18 3mba h PHE 115 N 1.20 0.38 -0.24 5.60 3.57 -0.49 -2.65 116.94 124.31 3mba h PHE 115 Ca 0.29 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3mba h PHE 115 Cb 0.12 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3mba h PHE 115 CO 0.01 0.51 0.14 0.28 -2.23 0.00 0.00 178.31 177.02 3mba h VAL 116 N 0.13 1.10 0.00 1.41 2.07 -1.24 -2.35 116.25 117.37 3mba h VAL 116 Ca 0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3mba h VAL 116 Cb 0.35 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3mba h VAL 116 CO 0.01 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3mba h ALA 117 N 1.03 1.00 0.00 1.67 0.00 -1.44 0.44 119.26 121.96 3mba h ALA 117 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mba h ALA 117 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mba h ALA 117 CO -0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 3mba n SER 118 N -3.01 0.43 -0.10 0.00 3.41 -0.89 -3.27 113.62 110.19 3mba n SER 118 Ca -0.02 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3mba n SER 118 Cb 0.12 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.30 3mba n SER 118 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3mba n VAL 119 N -1.92 1.19 -3.63 -3.33 0.31 0.14 -5.04 118.33 106.06 3mba n VAL 119 Ca 0.05 -0.52 -0.07 0.00 -0.01 0.00 0.00 64.34 63.79 3mba n VAL 119 Cb 0.35 -1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.15 3mba n VAL 119 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mba s ALA 120 N -2.42 -2.05 -0.10 3.52 0.00 -0.53 -5.00 121.76 115.18 3mba s ALA 120 Ca -0.23 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.20 3mba s ALA 120 Cb 0.07 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 3mba s ALA 120 CO 0.53 -0.22 1.84 0.00 0.00 0.00 0.00 175.76 177.92 3mba s ALA 121 N -0.29 3.34 0.71 0.00 0.00 -1.26 -3.72 121.76 120.54 3mba s ALA 121 Ca 0.04 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 3mba s ALA 121 Cb -0.03 -3.87 0.03 0.00 0.00 0.00 0.00 23.12 19.25 3mba s ALA 121 CO -0.07 -1.87 1.12 -1.25 0.00 0.00 0.00 175.76 173.69 3mba s PRO 122 N 4.78 2.47 0.88 0.00 0.04 -1.26 -5.00 135.00 136.91 3mba s PRO 122 Ca 0.82 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 3mba s PRO 122 Cb -0.34 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.42 3mba s PRO 122 CO 0.34 -1.51 1.10 -2.14 0.04 0.00 0.00 177.00 174.84 3mba s PRO 123 N -4.31 1.35 0.38 0.56 0.01 -1.26 -4.92 135.00 126.82 3mba s PRO 123 Ca 0.66 1.18 -0.28 0.00 0.01 0.00 0.00 61.00 62.57 3mba s PRO 123 Cb -0.21 -1.79 -0.10 0.00 0.01 0.00 0.00 34.50 32.40 3mba s PRO 123 CO 0.47 -2.28 1.44 0.00 0.01 0.00 0.00 177.00 176.64 3mba s ALA 124 N -2.79 3.50 0.00 -1.55 0.00 -1.26 -2.16 121.76 117.49 3mba s ALA 124 Ca 0.64 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3mba s ALA 124 Cb -0.20 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3mba s ALA 124 CO 0.58 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3mba n GLY 125 N 0.53 2.39 0.28 0.00 0.00 -1.26 -4.89 105.19 102.24 3mba n GLY 125 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3mba n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mba h ALA 126 N 0.00 0.77 -0.68 4.61 0.00 -1.72 -2.52 119.26 119.72 3mba h ALA 126 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3mba h ALA 126 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3mba h ALA 126 CO 0.00 0.66 0.11 -0.44 0.00 0.00 0.00 179.25 179.58 3mba h ASP 127 N 0.78 1.07 -0.46 0.00 3.45 -1.90 -2.22 116.42 117.15 3mba h ASP 127 Ca 0.10 -0.26 -0.04 0.00 0.43 0.00 0.00 57.03 57.26 3mba h ASP 127 Cb 0.77 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 3mba h ASP 127 CO 0.06 1.06 0.15 0.00 -1.57 0.00 0.00 179.24 178.94 3mba h ALA 128 N 1.05 1.29 -0.65 3.45 0.00 -1.95 -2.03 119.26 120.42 3mba h ALA 128 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mba h ALA 128 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3mba h ALA 128 CO 0.01 0.51 0.40 0.00 0.00 0.00 0.00 179.25 180.17 3mba h ALA 129 N 1.41 0.83 -0.45 0.00 0.00 -0.99 -1.37 119.26 118.69 3mba h ALA 129 Ca 0.17 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3mba h ALA 129 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3mba h ALA 129 CO -0.01 0.30 -0.13 -1.49 0.00 0.00 0.00 179.25 177.92 3mba h TRP 130 N 0.89 1.00 -0.07 0.00 4.06 -1.11 -0.63 115.95 120.10 3mba h TRP 130 Ca 0.24 -0.22 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 3mba h TRP 130 Cb -0.04 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 27.87 3mba h TRP 130 CO -0.02 0.99 -0.25 1.79 -3.56 0.00 0.00 178.44 177.39 3mba h THR 131 N 0.72 1.21 -0.10 1.49 1.35 -1.21 0.24 112.91 116.61 3mba h THR 131 Ca 0.11 -0.98 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 3mba h THR 131 Cb 0.68 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3mba h THR 131 CO 0.05 0.29 -0.17 0.50 -0.25 0.00 0.00 175.52 175.94 3mba h LYS 132 N 0.10 0.30 -0.12 4.72 3.64 -1.00 -1.57 116.57 122.63 3mba h LYS 132 Ca 0.02 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3mba h LYS 132 Cb 0.50 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3mba h LYS 132 CO 0.04 0.76 -0.09 1.25 -2.27 0.00 0.00 179.45 179.14 3mba h LEU 133 N -0.13 -0.27 -1.72 5.20 5.85 -0.62 -0.12 115.31 123.49 3mba h LEU 133 Ca 0.01 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3mba h LEU 133 Cb 0.74 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3mba h LEU 133 CO 0.04 -0.12 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.59 3mba h PHE 134 N -0.09 0.00 -0.51 1.25 -1.00 -0.56 -1.85 116.94 114.18 3mba h PHE 134 Ca 0.08 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.77 3mba h PHE 134 Cb 0.20 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3mba h PHE 134 CO -0.21 0.17 -0.03 0.78 -1.61 0.00 0.00 178.31 177.41 3mba h GLY 135 N 0.93 1.01 1.46 -1.45 0.00 -0.16 -1.22 103.07 103.65 3mba h GLY 135 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3mba h GLY 135 CO 0.02 0.71 0.10 1.41 0.00 0.00 0.00 176.54 178.78 3mba h LEU 136 N 0.80 0.63 -0.17 3.11 3.38 -0.23 -2.12 115.31 120.71 3mba h LEU 136 Ca 0.14 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3mba h LEU 136 Cb 0.57 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3mba h LEU 136 CO 0.03 0.64 -0.79 0.40 0.09 0.00 0.00 178.44 178.81 3mba h ILE 137 N 0.66 1.29 -0.45 1.22 2.04 -1.19 -2.52 117.51 118.56 3mba h ILE 137 Ca 0.15 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 3mba h ILE 137 Cb 0.27 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3mba h ILE 137 CO -0.00 0.63 0.08 0.40 0.00 0.00 0.00 178.15 179.26 3mba h ILE 138 N 0.51 1.21 -0.32 -0.67 2.04 -0.93 -2.31 117.51 117.04 3mba h ILE 138 Ca -0.06 -0.78 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 3mba h ILE 138 Cb 1.42 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3mba h ILE 138 CO 0.16 0.28 -0.29 0.44 0.00 0.00 0.00 178.15 178.74 3mba h ASP 139 N 0.67 0.81 -0.38 1.72 3.32 -1.37 -2.28 116.42 118.90 3mba h ASP 139 Ca 0.15 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3mba h ASP 139 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3mba h ASP 139 CO 0.00 1.10 0.21 0.00 -1.72 0.00 0.00 179.24 178.84 3mba h ALA 140 N 0.73 1.60 -0.28 3.45 0.00 -1.05 -1.99 119.26 121.72 3mba h ALA 140 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3mba h ALA 140 Cb 0.86 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3mba h ALA 140 CO 0.07 0.33 -0.39 -0.07 0.00 0.00 0.00 179.25 179.19 3mba h LEU 141 N 0.57 0.83 -0.72 0.00 3.38 -1.21 -1.20 115.31 116.96 3mba h LEU 141 Ca 0.15 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3mba h LEU 141 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3mba h LEU 141 CO -0.02 1.17 0.24 0.11 0.09 0.00 0.00 178.44 180.03 3mba h LYS 142 N 0.51 1.10 -0.46 1.13 1.57 -1.18 -1.54 116.57 117.70 3mba h LYS 142 Ca 0.03 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 3mba h LYS 142 Cb 0.98 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3mba h LYS 142 CO 0.09 0.94 -0.05 0.00 -0.57 0.00 0.00 179.45 179.86 3mba h ALA 143 N 1.12 1.05 0.00 3.86 0.00 -1.23 -1.90 119.26 122.16 3mba h ALA 143 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mba h ALA 143 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mba h ALA 143 CO -0.01 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3mba n ALA 144 N -2.48 1.70 0.00 0.00 0.00 -0.46 -4.89 120.51 114.38 3mba n ALA 144 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3mba n ALA 144 Cb 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3mba n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mba n GLY 145 N 0.09 1.10 0.00 0.00 0.00 -0.71 -5.01 105.19 100.66 3mba n GLY 145 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3mba n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32