#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pos s GLU 2 N 0.00 4.30 -0.01 -0.99 2.56 -1.26 -4.92 118.70 118.38 2pos s GLU 2 Ca 0.00 1.95 0.12 0.00 0.00 0.00 0.00 54.97 57.04 2pos s GLU 2 Cb 0.00 -3.52 -0.16 0.00 2.00 0.00 0.00 34.13 32.45 2pos s GLU 2 CO 0.00 -0.53 0.41 0.39 -0.56 0.00 0.00 175.26 174.97 2pos n GLU 3 N 5.09 1.87 0.00 4.30 -0.58 -1.26 -4.65 120.64 125.42 2pos n GLU 3 Ca 0.12 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2pos n GLU 3 Cb 0.44 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2pos n GLU 3 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2pos n THR 4 N -1.57 0.00 -1.81 2.62 -1.04 -1.26 -4.97 114.28 106.26 2pos n THR 4 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2pos n THR 4 Cb 0.25 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 2pos n THR 4 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2pos s LYS 5 N -1.92 4.16 0.24 -2.82 2.47 -1.26 -4.77 119.74 115.85 2pos s LYS 5 Ca 0.00 2.48 -0.26 0.00 -1.56 0.00 0.00 55.97 56.63 2pos s LYS 5 Cb 0.00 -3.60 -0.09 0.00 -1.46 0.00 0.00 37.83 32.68 2pos s LYS 5 CO 0.00 -0.80 0.86 -1.21 0.16 0.00 0.00 175.35 174.36 2pos s GLU 6 N 2.71 4.60 0.62 4.03 2.02 -1.26 -0.82 118.70 130.60 2pos s GLU 6 Ca 0.78 1.25 -0.18 0.00 0.02 0.00 0.00 54.97 56.83 2pos s GLU 6 Cb -0.43 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2pos s GLU 6 CO 0.35 0.45 1.21 0.00 0.02 0.00 0.00 175.26 177.28 2pos s ALA 8 N -1.69 2.37 0.54 0.00 0.00 -1.26 -4.87 121.76 116.86 2pos s ALA 8 Ca 0.77 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.98 2pos s ALA 8 Cb -0.30 -3.49 1.44 0.00 0.00 0.00 0.00 23.12 20.78 2pos s ALA 8 CO 0.36 -1.50 2.13 0.35 0.00 0.00 0.00 175.76 177.10 2pos h PHE 9 N 0.43 0.00 -0.07 0.00 3.57 -1.99 -1.05 116.94 117.83 2pos h PHE 9 Ca -0.50 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.02 2pos h PHE 9 Cb 1.31 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 2pos h PHE 9 CO 0.45 0.00 0.20 1.79 -2.23 0.00 0.00 178.31 178.52 2pos h THR 10 N 0.00 0.15 -0.88 4.41 1.35 -2.03 -0.30 112.91 115.61 2pos h THR 10 Ca 0.06 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.05 2pos h THR 10 Cb 0.27 0.82 -0.07 0.00 -1.73 0.00 0.00 68.15 67.44 2pos h THR 10 CO -0.00 0.00 0.57 -0.08 -0.25 0.00 0.00 175.52 175.76 2pos h GLU 11 N 0.00 0.74 -0.76 4.72 4.57 -1.55 -1.55 114.58 120.75 2pos h GLU 11 Ca 0.03 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2pos h GLU 11 Cb 0.42 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 2pos h GLU 11 CO -0.00 0.49 0.50 0.74 -1.18 0.00 0.00 179.01 179.56 2pos h PHE 12 N 0.76 0.68 0.00 0.92 -1.00 -1.25 -2.27 116.94 114.79 2pos h PHE 12 Ca 0.43 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.22 2pos h PHE 12 Cb 0.59 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 2pos h PHE 12 CO -0.00 0.31 -0.03 0.74 -1.61 0.00 0.00 178.31 177.72 2pos h PHE 13 N 0.63 0.00 0.00 -0.55 0.05 -1.44 -1.11 116.94 114.51 2pos h PHE 13 Ca 0.35 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.14 2pos h PHE 13 Cb 0.53 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.48 2pos h PHE 13 CO -0.00 0.03 -0.02 0.87 -0.18 0.00 0.00 178.31 179.01 2pos h LYS 14 N 0.00 0.00 -0.01 1.51 1.57 -1.50 -2.91 116.57 115.23 2pos h LYS 14 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pos h LYS 14 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2pos h LYS 14 CO 0.00 0.02 -0.14 1.28 -0.57 0.00 0.00 179.45 180.04 2pos n LEU 15 N -3.20 0.77 -0.35 2.94 4.77 -0.42 -4.39 117.00 117.11 2pos n LEU 15 Ca -0.02 -0.15 0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2pos n LEU 15 Cb 0.17 -0.13 0.29 0.00 -2.33 0.00 0.00 43.42 41.42 2pos n LEU 15 CO 0.24 0.14 1.22 0.00 -1.33 0.00 0.00 177.39 177.66 2pos h ALA 16 N 3.75 1.62 -0.10 -1.18 0.00 -1.67 -0.91 119.26 120.77 2pos h ALA 16 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2pos h ALA 16 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pos h ALA 16 CO 0.00 0.08 0.15 -1.35 0.00 0.00 0.00 179.25 178.14 2pos h PRO 17 N 0.87 0.00 0.00 0.00 0.11 -1.86 -2.01 132.00 129.11 2pos h PRO 17 Ca 0.53 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.61 2pos h PRO 17 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 2pos h PRO 17 CO -0.31 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.25 2pos h LEU 18 N 0.00 0.00 -1.92 2.35 3.38 -1.50 -2.76 115.31 114.86 2pos h LEU 18 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pos h LEU 18 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2pos h LEU 18 CO -0.00 0.16 -0.09 0.00 0.09 0.00 0.00 178.44 178.60 2pos h ALA 19 N 1.84 1.17 -0.36 1.53 0.00 -1.52 -1.77 119.26 120.15 2pos h ALA 19 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pos h ALA 19 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2pos h ALA 19 CO 0.02 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 2pos n SER 20 N -3.44 3.01 -4.62 0.00 3.41 -1.05 -4.96 113.62 105.97 2pos n SER 20 Ca -0.01 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.29 2pos n SER 20 Cb 0.24 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2pos n SER 20 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pos s ASN 21 N -1.06 6.44 0.48 4.04 3.84 -0.67 -4.96 114.94 123.05 2pos s ASN 21 Ca 0.28 0.53 0.23 0.00 0.21 0.00 0.00 52.86 54.11 2pos s ASN 21 Cb 0.15 -2.28 1.27 0.00 -0.55 0.00 0.00 41.25 39.84 2pos s ASN 21 CO 0.21 -0.27 1.92 -0.65 -2.79 0.00 0.00 177.10 175.51 2pos h PRO 22 N 7.95 0.19 0.00 0.43 0.11 -1.93 -1.75 132.00 137.00 2pos h PRO 22 Ca -0.30 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2pos h PRO 22 Cb 1.14 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2pos h PRO 22 CO 0.72 0.12 -0.18 0.00 -0.21 0.00 0.00 178.00 178.45 2pos h ALA 23 N 1.64 1.14 0.64 -0.75 0.00 -1.93 -3.20 119.26 116.80 2pos h ALA 23 Ca 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2pos h ALA 23 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pos h ALA 23 CO -0.07 0.22 -0.32 1.25 0.00 0.00 0.00 179.25 180.33 2pos h LEU 24 N 0.00 -0.76 -0.76 0.00 5.85 -1.59 -0.52 115.31 117.53 2pos h LEU 24 Ca -0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2pos h LEU 24 Cb 0.54 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2pos h LEU 24 CO 0.02 -0.53 0.08 0.77 -0.34 0.00 0.00 178.44 178.44 2pos h SER 25 N -0.87 0.97 -0.19 1.25 4.64 -1.74 -1.75 113.55 115.86 2pos h SER 25 Ca -0.09 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2pos h SER 25 Cb 0.67 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2pos h SER 25 CO 0.14 0.98 0.06 0.58 -0.87 0.00 0.00 176.83 177.72 2pos h VAL 26 N 0.95 1.19 -0.30 0.95 2.07 -1.53 -0.57 116.25 119.01 2pos h VAL 26 Ca 0.19 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2pos h VAL 26 Cb 0.44 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2pos h VAL 26 CO 0.01 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.88 2pos h GLN 28 N 0.33 0.54 -0.57 0.00 4.20 -1.24 -2.19 115.11 116.19 2pos h GLN 28 Ca 0.10 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2pos h GLN 28 Cb 0.25 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2pos h GLN 28 CO -0.00 0.52 0.09 -0.44 -0.67 0.00 0.00 178.83 178.33 2pos h ASP 29 N 0.44 0.86 1.10 1.46 3.32 -1.06 0.61 116.42 123.16 2pos h ASP 29 Ca 0.12 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 2pos h ASP 29 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2pos h ASP 29 CO -0.01 0.87 -0.36 0.00 -1.72 0.00 0.00 179.24 178.02 2pos h ALA 30 N 1.23 0.90 0.00 3.45 0.00 -1.09 -3.37 119.26 120.38 2pos h ALA 30 Ca 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2pos h ALA 30 Cb 0.39 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pos h ALA 30 CO 0.01 0.45 -1.21 -1.13 0.00 0.00 0.00 179.25 177.37 2pos n SER 31 N -3.38 4.02 0.00 0.00 3.41 -0.84 -4.84 113.62 112.00 2pos n SER 31 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2pos n SER 31 Cb 0.56 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 2pos n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pos n GLY 32 N 2.37 1.22 3.81 5.00 0.00 0.20 -4.57 105.19 113.22 2pos n GLY 32 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2pos n GLY 32 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pos s TRP 33 N -3.89 3.75 -0.07 1.61 -0.00 -1.25 -5.04 118.94 114.06 2pos s TRP 33 Ca 0.00 1.14 0.03 0.00 -0.00 0.00 0.00 56.10 57.28 2pos s TRP 33 Cb 0.00 -2.43 -0.02 0.00 -0.00 0.00 0.00 33.47 31.02 2pos s TRP 33 CO 0.00 0.57 -0.16 -0.65 -0.00 0.00 0.00 176.95 176.71 2pos s GLN 34 N -0.93 2.74 -0.22 5.86 -1.52 -1.26 -4.25 119.66 120.07 2pos s GLN 34 Ca 0.27 -0.74 0.11 0.00 -1.95 0.00 0.00 55.36 53.06 2pos s GLN 34 Cb -0.18 -2.40 -0.22 0.00 -0.22 0.00 0.00 33.01 29.99 2pos s GLN 34 CO 0.16 0.47 -0.05 -0.12 -0.25 0.00 0.00 175.29 175.50 2pos n MET 35 N 2.76 0.67 -3.84 2.91 0.00 -1.26 -1.10 117.12 117.26 2pos n MET 35 Ca -0.17 0.06 -0.30 0.00 -0.00 0.00 0.00 57.70 57.28 2pos n MET 35 Cb 0.52 -1.52 -0.15 0.00 0.00 0.00 0.00 33.22 32.07 2pos n MET 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2pos s LEU 36 N -5.92 2.68 0.60 -0.89 1.43 -1.26 -1.83 118.68 113.50 2pos s LEU 36 Ca -0.20 -1.54 -0.16 0.00 -1.03 0.00 0.00 54.13 51.19 2pos s LEU 36 Cb 0.07 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2pos s LEU 36 CO 0.74 -0.35 1.08 -2.16 0.23 0.00 0.00 176.35 175.89 2pos s PRO 37 N 1.45 3.20 0.03 1.29 0.04 -1.26 -5.08 135.00 134.67 2pos s PRO 37 Ca 0.05 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 2pos s PRO 37 Cb -0.18 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2pos s PRO 37 CO -0.16 -0.93 1.67 -2.14 0.04 0.00 0.00 177.00 175.49 2pos s PRO 38 N -3.88 4.19 0.28 0.56 0.02 -0.76 -4.71 135.00 130.70 2pos s PRO 38 Ca 0.66 2.30 0.22 0.00 0.02 0.00 0.00 61.00 64.21 2pos s PRO 38 Cb -0.19 -3.76 0.12 0.00 0.02 0.00 0.00 34.50 30.69 2pos s PRO 38 CO 0.35 -0.78 1.26 0.00 -0.33 0.00 0.00 177.00 177.50 2pos h ALA 39 N 8.88 0.70 0.00 -1.55 0.00 -1.37 -3.47 119.26 122.45 2pos h ALA 39 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2pos h ALA 39 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pos h ALA 39 CO 0.94 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.70 2pos n GLY 40 N 1.17 -0.56 3.75 0.00 0.00 -1.26 -4.95 105.19 103.35 2pos n GLY 40 Ca 0.01 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2pos n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pos s TYR 41 N 0.00 3.33 0.28 1.61 1.51 -1.26 -4.97 117.35 117.85 2pos s TYR 41 Ca 0.00 1.46 -0.30 0.00 -1.01 0.00 0.00 57.07 57.21 2pos s TYR 41 Cb 0.00 -3.49 -0.12 0.00 -0.11 0.00 0.00 41.96 38.23 2pos s TYR 41 CO 0.00 -1.34 1.52 -2.30 -1.11 0.00 0.00 175.55 172.32 2pos n PRO 42 N 1.69 2.46 -1.33 -1.71 -0.02 -1.26 -5.01 135.00 129.82 2pos n PRO 42 Ca 0.02 0.87 -0.31 0.00 -2.02 0.00 0.00 63.50 62.07 2pos n PRO 42 Cb 0.43 -2.61 0.09 0.00 -0.02 0.00 0.00 33.50 31.40 2pos n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pos s THR 43 N -0.09 3.36 0.48 3.45 -4.23 -1.26 -4.75 115.64 112.60 2pos s THR 43 Ca 0.65 0.44 0.17 0.00 -1.18 0.00 0.00 61.69 61.77 2pos s THR 43 Cb -0.55 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 70.63 2pos s THR 43 CO 0.50 -0.58 2.02 -0.65 -0.54 0.00 0.00 174.62 175.37 2pos h PRO 44 N -1.10 0.21 -0.22 3.99 0.11 -1.98 0.41 132.00 133.42 2pos h PRO 44 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2pos h PRO 44 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2pos h PRO 44 CO 0.53 0.14 -0.03 0.93 -0.21 0.00 0.00 178.00 179.36 2pos h GLU 45 N 0.22 0.41 -0.41 1.05 3.07 -1.99 -0.59 114.58 116.34 2pos h GLU 45 Ca 0.20 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.82 2pos h GLU 45 Cb 0.53 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2pos h GLU 45 CO -0.04 0.63 -0.17 1.96 -1.40 0.00 0.00 179.01 179.99 2pos h GLN 46 N 0.15 0.77 -0.48 2.33 4.20 -1.61 -3.19 115.11 117.28 2pos h GLN 46 Ca 0.06 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 2pos h GLN 46 Cb 0.46 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2pos h GLN 46 CO 0.02 0.89 0.12 1.25 -0.67 0.00 0.00 178.83 180.43 2pos h LEU 47 N 0.69 0.72 -0.94 1.46 5.85 -0.06 0.41 115.31 123.44 2pos h LEU 47 Ca 0.11 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2pos h LEU 47 Cb 0.66 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2pos h LEU 47 CO 0.05 0.77 0.59 0.50 -0.34 0.00 0.00 178.44 180.00 2pos h LYS 48 N 0.64 1.01 -0.10 1.25 3.64 -1.11 0.13 116.57 122.02 2pos h LYS 48 Ca 0.15 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2pos h LYS 48 Cb 0.33 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2pos h LYS 48 CO 0.00 0.67 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.65 2pos h LEU 49 N 1.04 0.28 -0.62 5.20 3.38 -1.46 -2.92 115.31 120.20 2pos h LEU 49 Ca 0.42 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2pos h LEU 49 Cb 0.25 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2pos h LEU 49 CO -0.20 0.74 0.35 0.24 0.09 0.00 0.00 178.44 179.66 2pos h MET 50 N -0.17 0.64 0.00 1.13 2.86 -0.59 -1.93 114.93 116.86 2pos h MET 50 Ca 0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2pos h MET 50 Cb 0.67 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2pos h MET 50 CO 0.03 0.42 0.00 0.00 1.06 0.00 0.00 176.91 178.42 2pos n GLY 52 N -0.20 2.88 2.98 0.00 0.00 -0.75 -4.88 105.19 105.21 2pos n GLY 52 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2pos n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pos s THR 53 N -2.00 1.65 0.24 2.61 2.01 -0.50 -5.01 115.64 114.63 2pos s THR 53 Ca 0.50 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 2pos s THR 53 Cb 0.33 -1.80 0.20 0.00 0.01 0.00 0.00 72.50 71.25 2pos s THR 53 CO 0.22 0.05 1.74 0.00 -0.69 0.00 0.00 174.62 175.95 2pos h ALA 54 N 7.95 1.02 0.00 7.40 0.00 -1.90 -1.17 119.26 132.56 2pos h ALA 54 Ca -0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2pos h ALA 54 Cb 1.08 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2pos h ALA 54 CO 0.45 -0.16 -0.03 0.93 0.00 0.00 0.00 179.25 180.44 2pos h GLU 55 N 0.49 0.00 -0.27 0.00 3.07 -1.93 -1.88 114.58 114.05 2pos h GLU 55 Ca 0.39 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.08 2pos h GLU 55 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2pos h GLU 55 CO -0.36 0.03 -0.49 0.00 -1.40 0.00 0.00 179.01 176.79 2pos h PHE 57 N 0.58 0.99 -0.50 0.00 -1.00 -1.37 -0.90 116.94 114.75 2pos h PHE 57 Ca 0.03 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.73 2pos h PHE 57 Cb 1.06 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.30 2pos h PHE 57 CO 0.06 0.78 0.33 1.15 -1.61 0.00 0.00 178.31 179.02 2pos h THR 58 N 0.92 1.13 -0.22 -1.55 2.02 -1.29 -0.92 112.91 112.99 2pos h THR 58 Ca 0.22 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2pos h THR 58 Cb 0.22 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2pos h THR 58 CO -0.02 0.12 0.14 0.25 0.37 0.00 0.00 175.52 176.39 2pos h LEU 59 N 0.68 0.26 -0.70 2.58 5.85 -0.69 -0.29 115.31 123.00 2pos h LEU 59 Ca 0.18 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2pos h LEU 59 Cb -0.08 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2pos h LEU 59 CO -0.04 0.22 0.38 0.40 -0.34 0.00 0.00 178.44 179.06 2pos h ILE 60 N 0.28 1.22 -0.61 4.05 1.08 -1.00 -0.58 117.51 121.95 2pos h ILE 60 Ca 0.08 -0.55 -0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2pos h ILE 60 Cb -0.00 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 2pos h ILE 60 CO -0.02 0.24 0.19 0.44 -0.69 0.00 0.00 178.15 178.32 2pos h ASP 61 N 0.97 0.84 -0.59 1.72 3.32 -0.97 -0.74 116.42 120.97 2pos h ASP 61 Ca 0.25 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2pos h ASP 61 Cb 0.04 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2pos h ASP 61 CO -0.04 0.79 0.20 0.00 -1.72 0.00 0.00 179.24 178.47 2pos h ALA 62 N 1.33 1.18 -0.45 3.45 0.00 -0.32 -2.33 119.26 122.12 2pos h ALA 62 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2pos h ALA 62 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pos h ALA 62 CO -0.01 0.58 -0.22 0.82 0.00 0.00 0.00 179.25 180.41 2pos h ILE 63 N 0.92 1.27 -0.95 0.00 2.04 -0.52 -2.90 117.51 117.37 2pos h ILE 63 Ca 0.21 -1.38 0.13 0.00 1.00 0.00 0.00 64.86 64.81 2pos h ILE 63 Cb 0.25 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.45 2pos h ILE 63 CO -0.01 0.47 0.57 0.11 0.00 0.00 0.00 178.15 179.29 2pos h LYS 64 N 0.78 0.84 0.00 2.37 1.57 -0.87 -1.12 116.57 120.14 2pos h LYS 64 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2pos h LYS 64 Cb 0.80 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2pos h LYS 64 CO 0.07 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 2pos n ALA 65 N -2.36 1.65 1.39 3.86 0.00 -0.90 -1.45 120.51 122.70 2pos n ALA 65 Ca 0.18 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.74 2pos n ALA 65 Cb 0.38 -1.27 0.46 0.00 0.00 0.00 0.00 19.45 19.03 2pos n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pos n LEU 66 N -1.67 1.33 -3.48 0.00 4.77 -0.42 -4.99 117.00 112.53 2pos n LEU 66 Ca 0.03 -0.41 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 2pos n LEU 66 Cb 0.18 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2pos n LEU 66 CO 0.15 0.23 -0.01 0.59 -1.33 0.00 0.00 177.39 177.02 2pos n ASN 67 N -0.15 -4.65 -4.76 -1.43 4.13 -0.53 -4.92 115.26 102.95 2pos n ASN 67 Ca 0.16 -0.81 -0.39 0.00 1.68 0.00 0.00 54.58 55.22 2pos n ASN 67 Cb 0.36 -4.45 0.02 0.00 -1.54 0.00 0.00 39.78 34.17 2pos n ASN 67 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2pos s PRO 68 N -5.27 3.59 0.62 3.52 0.04 -1.26 -4.99 135.00 131.25 2pos s PRO 68 Ca 0.32 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 2pos s PRO 68 Cb -0.07 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 2pos s PRO 68 CO 0.79 -0.84 1.03 -0.80 0.04 0.00 0.00 177.00 177.22 2pos s ASN 69 N -0.73 5.99 -1.11 6.66 0.01 -1.26 -4.62 114.94 119.88 2pos s ASN 69 Ca 0.63 1.55 -0.19 0.00 -0.71 0.00 0.00 52.86 54.14 2pos s ASN 69 Cb -0.41 -2.49 0.09 0.00 0.41 0.00 0.00 41.25 38.86 2pos s ASN 69 CO 0.51 -1.03 1.46 -0.62 -1.51 0.00 0.00 177.10 175.92 2pos s ASP 70 N -3.72 6.72 0.19 -1.22 2.15 -1.26 -3.90 116.67 115.63 2pos s ASP 70 Ca 0.58 -2.13 -0.23 0.00 0.43 0.00 0.00 52.55 51.19 2pos s ASP 70 Cb -0.12 -2.51 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2pos s ASP 70 CO 0.48 -1.19 0.78 0.00 -0.17 0.00 0.00 175.17 175.08 2pos s ILE 72 N -3.62 4.84 -0.10 0.00 -1.09 -0.00 -4.20 121.20 117.03 2pos s ILE 72 Ca 0.08 0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 59.10 2pos s ILE 72 Cb -0.03 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2pos s ILE 72 CO -0.00 -0.29 0.72 -0.22 -1.23 0.00 0.00 174.94 173.92 2pos s LEU 73 N 2.83 4.27 -0.15 2.97 2.96 0.99 0.06 118.68 132.61 2pos s LEU 73 Ca 0.28 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 55.32 2pos s LEU 73 Cb -0.14 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 2pos s LEU 73 CO 0.14 -0.20 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.20 2pos s VAL 74 N 1.21 3.34 -0.37 1.68 1.01 -1.26 -1.58 120.40 124.42 2pos s VAL 74 Ca 0.37 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2pos s VAL 74 Cb -0.17 -2.44 0.14 0.00 0.00 0.00 0.00 36.38 33.91 2pos s VAL 74 CO 0.16 0.50 0.22 0.12 0.00 0.00 0.00 175.10 176.10 2pos s PHE 75 N 0.54 1.05 0.00 5.22 5.36 0.51 -5.02 117.98 125.64 2pos s PHE 75 Ca -0.06 -1.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.08 2pos s PHE 75 Cb -0.15 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.36 2pos s PHE 75 CO 0.03 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.39 2pos n GLY 76 N 3.93 3.56 0.20 13.12 0.00 -1.26 -1.39 105.19 123.35 2pos n GLY 76 Ca 0.11 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.21 2pos n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pos n ASP 77 N 7.48 0.64 -4.68 1.61 8.00 -1.26 -4.80 116.55 123.55 2pos n ASP 77 Ca 0.00 -1.15 -0.41 0.00 0.71 0.00 0.00 54.79 53.94 2pos n ASP 77 Cb 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2pos n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pos s VAL 78 N -2.05 4.94 -0.10 2.53 1.01 -0.49 -5.04 120.40 121.21 2pos s VAL 78 Ca 0.42 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 63.89 2pos s VAL 78 Cb 0.21 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2pos s VAL 78 CO 0.37 0.08 -0.06 -0.13 0.00 0.00 0.00 175.10 175.36 2pos s ARG 79 N 1.87 1.27 0.00 2.72 0.52 -1.26 -0.36 118.95 123.70 2pos s ARG 79 Ca 0.36 -0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 2pos s ARG 79 Cb -0.17 -1.38 0.02 0.00 0.52 0.00 0.00 34.95 33.94 2pos s ARG 79 CO 0.13 -0.24 0.25 -0.48 0.02 0.00 0.00 175.30 174.98 2pos s LEU 80 N 1.66 1.08 -0.46 2.53 2.34 -0.62 -4.82 118.68 120.40 2pos s LEU 80 Ca 0.03 -0.06 -0.17 0.00 0.06 0.00 0.00 54.13 53.98 2pos s LEU 80 Cb -0.13 1.10 0.04 0.00 -0.56 0.00 0.00 46.19 46.64 2pos s LEU 80 CO -0.06 -0.46 0.48 0.21 -1.06 0.00 0.00 176.35 175.46 2pos s ASN 81 N -1.49 6.19 0.29 1.48 3.84 -1.26 -0.00 114.94 123.98 2pos s ASN 81 Ca -0.12 -0.90 0.01 0.00 0.21 0.00 0.00 52.86 52.07 2pos s ASN 81 Cb -0.05 -2.23 0.44 0.00 -0.55 0.00 0.00 41.25 38.85 2pos s ASN 81 CO 0.02 -0.69 1.77 0.58 -2.79 0.00 0.00 177.10 176.00 2pos h VAL 82 N 5.77 1.24 -0.51 -5.21 2.07 -1.80 -0.09 116.25 117.72 2pos h VAL 82 Ca -0.27 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 2pos h VAL 82 Cb 1.11 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2pos h VAL 82 CO 0.86 0.35 0.09 0.50 0.02 0.00 0.00 177.57 179.39 2pos h LYS 83 N 0.55 0.83 -0.11 1.57 3.64 -1.82 -1.53 116.57 119.69 2pos h LYS 83 Ca 0.10 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2pos h LYS 83 Cb 0.51 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2pos h LYS 83 CO 0.03 0.82 0.07 -0.22 -2.27 0.00 0.00 179.45 177.87 2pos h LYS 84 N 0.71 0.13 -0.22 1.90 3.64 -1.80 -2.07 116.57 118.87 2pos h LYS 84 Ca 0.15 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2pos h LYS 84 Cb 0.38 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 2pos h LYS 84 CO 0.01 0.09 -0.37 1.25 -2.27 0.00 0.00 179.45 178.16 2pos h LEU 85 N 0.14 -1.18 -0.74 5.20 5.85 -0.78 -0.27 115.31 123.53 2pos h LEU 85 Ca 0.04 0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 2pos h LEU 85 Cb -0.01 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2pos h LEU 85 CO -0.02 -0.38 -0.60 -0.37 -0.34 0.00 0.00 178.44 176.74 2pos h VAL 86 N -0.39 1.41 -0.12 1.05 -1.51 -1.26 -1.63 116.25 113.80 2pos h VAL 86 Ca 0.11 -2.01 -0.19 0.00 -1.23 0.00 0.00 66.70 63.38 2pos h VAL 86 Cb 0.58 2.05 0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2pos h VAL 86 CO -0.43 0.58 -0.67 0.74 -1.23 0.00 0.00 177.57 176.56 2pos h THR 87 N 0.08 1.32 -0.00 7.19 2.02 -1.10 -3.26 112.91 119.16 2pos h THR 87 Ca -0.01 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2pos h THR 87 Cb 1.07 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2pos h THR 87 CO 0.08 0.60 -0.27 -0.62 0.37 0.00 0.00 175.52 175.68 2pos n GLU 88 N -4.07 0.38 0.25 6.66 1.02 -0.13 -4.46 120.64 120.28 2pos n GLU 88 Ca -0.08 -0.18 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 2pos n GLU 88 Cb 0.69 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.53 2pos n GLU 88 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2pos h PHE 89 N 0.44 -0.70 -0.14 -0.32 3.57 -1.33 -2.31 116.94 116.15 2pos h PHE 89 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2pos h PHE 89 Cb 0.47 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2pos h PHE 89 CO 0.00 -0.41 0.06 0.93 -2.23 0.00 0.00 178.31 176.66 2pos h GLU 90 N -0.66 0.14 0.00 1.11 5.08 -1.81 -1.50 114.58 116.95 2pos h GLU 90 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2pos h GLU 90 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pos h GLU 90 CO 0.04 0.09 -0.04 -1.35 -1.00 0.00 0.00 179.01 176.75 2pos h PRO 91 N 0.14 0.00 0.00 2.33 0.11 -1.84 -2.44 132.00 130.29 2pos h PRO 91 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2pos h PRO 91 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2pos h PRO 91 CO -0.05 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2pos n SER 92 N -3.91 0.51 0.27 -2.05 3.41 -0.57 -3.08 113.62 108.21 2pos n SER 92 Ca -0.03 0.64 0.16 0.00 -0.26 0.00 0.00 58.87 59.39 2pos n SER 92 Cb 0.13 -0.75 0.64 0.00 -0.26 0.00 0.00 64.21 63.97 2pos n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88