#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 4.23 0.00 -0.99 2.56 -1.26 -4.89 118.70 118.35 2pos s GLU 2 Ca 0.00 2.17 0.00 0.00 0.00 0.00 0.00 54.97 57.14 2pos s GLU 2 Cb 0.00 -3.60 0.00 0.00 2.00 0.00 0.00 34.13 32.53 2pos s GLU 2 CO 0.00 -0.67 0.28 0.39 -0.56 0.00 0.00 175.26 174.70 2pos n GLU 3 N 5.54 2.54 0.00 4.30 -0.58 -1.26 -4.50 120.64 126.68 2pos n GLU 3 Ca 0.15 -0.28 -0.01 0.00 -0.42 0.00 0.00 57.16 56.60 2pos n GLU 3 Cb 0.42 -0.78 -0.00 0.00 -0.57 0.00 0.00 31.44 30.51 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 -0.44 0.17 -1.82 2.62 -1.04 -1.26 -4.95 114.28 107.56 2pos n THR 4 Ca 0.00 0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 2pos n THR 4 Cb 0.00 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 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 -2.01 4.17 0.08 -2.82 2.20 -1.26 -4.84 119.74 115.25 2pos s LYS 5 Ca -0.01 2.48 -0.12 0.00 -0.36 0.00 0.00 55.97 57.96 2pos s LYS 5 Cb 0.00 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2pos s LYS 5 CO 0.01 -0.77 0.43 -1.21 -0.36 0.00 0.00 175.35 173.45 2pos s GLU 6 N 2.42 3.84 0.41 4.03 2.02 -1.26 -0.66 118.70 129.49 2pos s GLU 6 Ca 0.77 0.29 -0.25 0.00 0.02 0.00 0.00 54.97 55.80 2pos s GLU 6 Cb -0.44 -3.03 -0.08 0.00 0.10 0.00 0.00 34.13 30.68 2pos s GLU 6 CO 0.34 0.57 1.18 0.00 0.02 0.00 0.00 175.26 177.37 2pos s ALA 8 N -1.42 2.25 0.53 0.00 0.00 -1.26 -4.83 121.76 117.03 2pos s ALA 8 Ca 0.58 1.08 0.20 0.00 0.00 0.00 0.00 51.96 53.82 2pos s ALA 8 Cb -0.31 -3.52 1.35 0.00 0.00 0.00 0.00 23.12 20.64 2pos s ALA 8 CO 0.39 -1.73 2.11 0.35 0.00 0.00 0.00 175.76 176.88 2pos h PHE 9 N 0.18 0.00 -0.09 0.00 3.57 -1.99 -1.27 116.94 117.34 2pos h PHE 9 Ca -0.50 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.03 2pos h PHE 9 Cb 1.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 2pos h PHE 9 CO 0.44 0.00 0.19 1.79 -2.23 0.00 0.00 178.31 178.50 2pos h THR 10 N 0.00 0.21 -0.71 4.41 1.35 -2.02 -0.12 112.91 116.03 2pos h THR 10 Ca 0.07 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.99 2pos h THR 10 Cb 0.29 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2pos h THR 10 CO -0.00 0.00 0.47 -0.08 -0.25 0.00 0.00 175.52 175.66 2pos h GLU 11 N 0.00 0.72 -0.99 4.72 4.57 -1.59 -1.34 114.58 120.67 2pos h GLU 11 Ca 0.04 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2pos h GLU 11 Cb 0.43 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.79 2pos h GLU 11 CO -0.00 0.48 0.64 0.74 -1.18 0.00 0.00 179.01 179.69 2pos h PHE 12 N 0.74 1.18 0.00 0.92 -1.00 -1.21 -2.32 116.94 115.26 2pos h PHE 12 Ca 0.31 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.09 2pos h PHE 12 Cb 0.25 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 2pos h PHE 12 CO -0.00 0.61 -0.11 0.74 -1.61 0.00 0.00 178.31 177.93 2pos h PHE 13 N 1.15 0.00 -0.01 -0.55 0.05 -1.38 -1.01 116.94 115.18 2pos h PHE 13 Ca 0.43 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.22 2pos h PHE 13 Cb 0.19 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.14 2pos h PHE 13 CO -0.00 0.11 0.01 0.87 -0.18 0.00 0.00 178.31 179.12 2pos h LYS 14 N 0.00 0.00 0.00 1.51 1.57 -1.42 -2.54 116.57 115.69 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2pos h LYS 14 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 2pos n LEU 15 N -4.10 0.00 -0.29 2.94 4.77 -0.38 -4.32 117.00 115.63 2pos n LEU 15 Ca -0.03 0.32 0.06 0.00 -0.03 0.00 0.00 56.01 56.34 2pos n LEU 15 Cb 0.10 -0.32 0.21 0.00 -2.33 0.00 0.00 43.42 41.08 2pos n LEU 15 CO 0.30 -0.04 1.08 0.00 -1.33 0.00 0.00 177.39 177.40 2pos h ALA 16 N 3.17 1.22 -0.26 -1.18 0.00 -1.61 -0.86 119.26 119.74 2pos h ALA 16 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pos h ALA 16 Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pos h ALA 16 CO 0.00 -0.10 0.27 -1.35 0.00 0.00 0.00 179.25 178.07 2pos h PRO 17 N 0.60 0.00 -0.06 0.00 0.11 -1.85 -2.11 132.00 128.68 2pos h PRO 17 Ca 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.54 2pos h PRO 17 Cb 0.62 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2pos h PRO 17 CO -0.36 0.00 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.32 2pos h LEU 18 N 0.00 0.08 -1.80 2.35 3.38 -1.48 -2.57 115.31 115.26 2pos h LEU 18 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2pos h LEU 18 Cb 0.67 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2pos h LEU 18 CO -0.00 0.14 -0.09 0.00 0.09 0.00 0.00 178.44 178.58 2pos h ALA 19 N 1.88 1.11 -0.48 1.53 0.00 -1.55 -1.38 119.26 120.38 2pos h ALA 19 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pos h ALA 19 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pos h ALA 19 CO 0.01 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 2pos n SER 20 N -3.36 4.04 -4.41 0.00 3.41 -0.98 -4.89 113.62 107.44 2pos n SER 20 Ca -0.01 -2.44 -0.38 0.00 -0.26 0.00 0.00 58.87 55.78 2pos n SER 20 Cb 0.27 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.17 5.39 0.59 4.04 3.84 -0.52 -4.98 114.94 122.12 2pos s ASN 21 Ca 0.41 -0.57 0.29 0.00 0.21 0.00 0.00 52.86 53.21 2pos s ASN 21 Cb 0.27 -1.96 1.70 0.00 -0.55 0.00 0.00 41.25 40.71 2pos s ASN 21 CO 0.19 -0.19 2.13 -0.65 -2.79 0.00 0.00 177.10 175.80 2pos h PRO 22 N 8.31 0.00 0.00 0.43 0.11 -1.90 -1.79 132.00 137.16 2pos h PRO 22 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2pos h PRO 22 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pos h PRO 22 CO 0.61 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.26 2pos h ALA 23 N 1.81 1.57 0.61 -0.75 0.00 -1.91 -2.76 119.26 117.83 2pos h ALA 23 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pos h ALA 23 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2pos h ALA 23 CO -0.00 0.17 -0.32 1.25 0.00 0.00 0.00 179.25 180.35 2pos h LEU 24 N 0.00 -0.76 -0.55 0.00 5.85 -1.58 -1.07 115.31 117.20 2pos h LEU 24 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2pos h LEU 24 Cb 0.28 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2pos h LEU 24 CO 0.02 -0.52 0.34 -1.28 -0.34 0.00 0.00 178.44 176.65 2pos h SER 25 N -0.85 0.65 -0.44 1.25 0.87 -1.68 -1.34 113.55 112.01 2pos h SER 25 Ca -0.08 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2pos h SER 25 Cb 0.66 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2pos h SER 25 CO 0.12 0.51 0.21 0.58 -0.53 0.00 0.00 176.83 177.71 2pos h VAL 26 N 0.74 1.18 -0.26 2.23 2.07 -1.45 -0.30 116.25 120.47 2pos h VAL 26 Ca 0.20 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2pos h VAL 26 Cb -0.03 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2pos h VAL 26 CO -0.04 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.77 2pos h GLN 28 N 0.24 0.53 -0.46 0.00 4.20 -1.15 -1.59 115.11 116.89 2pos h GLN 28 Ca 0.08 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 2pos h GLN 28 Cb 0.38 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2pos h GLN 28 CO 0.01 0.55 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.22 2pos h ASP 29 N 0.41 0.77 -0.23 1.46 3.32 -1.04 0.16 116.42 121.28 2pos h ASP 29 Ca 0.11 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 2pos h ASP 29 Cb 0.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2pos h ASP 29 CO -0.00 0.88 -0.40 0.00 -1.72 0.00 0.00 179.24 178.00 2pos h ALA 30 N 1.20 0.70 0.00 3.45 0.00 -1.06 -3.36 119.26 120.18 2pos h ALA 30 Ca 0.13 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 2pos h ALA 30 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2pos h ALA 30 CO 0.03 0.67 -1.97 -1.13 0.00 0.00 0.00 179.25 176.84 2pos n SER 31 N -4.04 0.88 0.00 0.00 3.41 -0.61 -4.90 113.62 108.35 2pos n SER 31 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2pos n SER 31 Cb 0.54 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.89 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 1.71 1.81 3.74 5.00 0.00 0.56 -4.56 105.19 113.44 2pos n GLY 32 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.34 3.74 -0.12 1.61 -0.00 -1.25 -5.03 118.94 114.55 2pos s TRP 33 Ca 0.00 1.54 -0.01 0.00 -0.00 0.00 0.00 56.10 57.63 2pos s TRP 33 Cb 0.00 -2.88 -0.02 0.00 -0.00 0.00 0.00 33.47 30.57 2pos s TRP 33 CO 0.00 0.24 -0.08 -0.65 -0.00 0.00 0.00 176.95 176.46 2pos s GLN 34 N 0.04 3.30 -0.23 5.86 -1.52 -1.26 -4.24 119.66 121.61 2pos s GLN 34 Ca 0.41 -0.60 0.03 0.00 -1.95 0.00 0.00 55.36 53.25 2pos s GLN 34 Cb -0.21 -2.71 -0.19 0.00 -0.22 0.00 0.00 33.01 29.68 2pos s GLN 34 CO 0.24 0.35 -0.10 -0.12 -0.25 0.00 0.00 175.29 175.41 2pos n MET 35 N 3.17 0.67 -3.88 2.91 0.00 -1.26 -1.33 117.12 117.40 2pos n MET 35 Ca -0.18 0.15 -0.30 0.00 -0.00 0.00 0.00 57.70 57.38 2pos n MET 35 Cb 0.53 -1.55 -0.16 0.00 0.00 0.00 0.00 33.22 32.04 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 -6.48 2.22 0.62 -0.89 1.43 -1.26 -1.50 118.68 112.82 2pos s LEU 36 Ca -0.30 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 51.52 2pos s LEU 36 Cb 0.08 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 2pos s LEU 36 CO 0.65 -0.26 1.13 -2.84 0.23 0.00 0.00 176.35 175.26 2pos s PRO 37 N 1.52 2.97 0.03 1.29 0.02 -1.26 -5.07 135.00 134.50 2pos s PRO 37 Ca -0.04 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 2pos s PRO 37 Cb -0.18 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 2pos s PRO 37 CO -0.07 -1.14 1.39 -1.25 -0.33 0.00 0.00 177.00 175.59 2pos s PRO 38 N -3.71 4.30 0.16 5.54 0.04 -0.57 -4.75 135.00 136.02 2pos s PRO 38 Ca 0.71 1.98 0.24 0.00 0.04 0.00 0.00 61.00 63.97 2pos s PRO 38 Cb -0.23 -3.49 0.43 0.00 0.04 0.00 0.00 34.50 31.25 2pos s PRO 38 CO 0.36 -0.52 1.42 0.00 0.04 0.00 0.00 177.00 178.29 2pos h ALA 39 N 7.55 0.69 0.00 8.56 0.00 -1.47 -3.47 119.26 131.12 2pos h ALA 39 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2pos h ALA 39 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pos h ALA 39 CO 0.89 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2pos n GLY 40 N 1.31 0.23 3.79 0.00 0.00 -1.26 -4.93 105.19 104.32 2pos n GLY 40 Ca 0.04 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 3.72 0.39 1.61 1.51 -1.26 -4.94 117.35 118.37 2pos s TYR 41 Ca 0.00 1.69 -0.28 0.00 -1.01 0.00 0.00 57.07 57.47 2pos s TYR 41 Cb 0.00 -2.84 -0.11 0.00 -0.11 0.00 0.00 41.96 38.90 2pos s TYR 41 CO 0.00 0.28 1.49 -2.14 -1.11 0.00 0.00 175.55 174.07 2pos s PRO 42 N -1.90 4.03 0.85 -1.71 0.02 -1.26 -5.00 135.00 130.03 2pos s PRO 42 Ca 0.47 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.96 2pos s PRO 42 Cb -0.19 -2.92 0.10 0.00 0.02 0.00 0.00 34.50 31.51 2pos s PRO 42 CO 0.24 -0.60 1.09 0.95 -0.33 0.00 0.00 177.00 178.35 2pos s THR 43 N -1.13 2.88 0.33 0.99 -4.23 -1.26 -4.73 115.64 108.49 2pos s THR 43 Ca 0.54 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.39 2pos s THR 43 Cb -0.47 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 70.90 2pos s THR 43 CO 0.63 -0.38 1.90 -0.65 -0.54 0.00 0.00 174.62 175.59 2pos h PRO 44 N -1.40 0.82 -0.41 3.99 0.11 -1.99 0.22 132.00 133.34 2pos h PRO 44 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2pos h PRO 44 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2pos h PRO 44 CO 0.53 0.55 0.17 0.93 -0.21 0.00 0.00 178.00 179.97 2pos h GLU 45 N 0.85 0.61 -0.42 1.05 3.07 -1.99 -1.18 114.58 116.58 2pos h GLU 45 Ca 0.40 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 59.08 2pos h GLU 45 Cb 0.42 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2pos h GLU 45 CO -0.17 0.57 -0.02 1.96 -1.40 0.00 0.00 179.01 179.95 2pos h GLN 46 N 0.52 0.75 -0.63 2.33 4.20 -1.62 -2.90 115.11 117.76 2pos h GLN 46 Ca 0.14 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.61 2pos h GLN 46 Cb 0.18 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2pos h GLN 46 CO -0.01 0.84 0.40 1.25 -0.67 0.00 0.00 178.83 180.64 2pos h LEU 47 N 0.58 0.67 -0.47 1.46 5.85 -0.44 0.49 115.31 123.46 2pos h LEU 47 Ca 0.11 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2pos h LEU 47 Cb 0.52 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 2pos h LEU 47 CO 0.03 0.47 -0.14 0.50 -0.34 0.00 0.00 178.44 178.96 2pos h LYS 48 N 0.80 -0.03 -0.40 1.25 1.63 -1.14 0.17 116.57 118.85 2pos h LYS 48 Ca 0.24 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.01 2pos h LYS 48 Cb -0.03 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2pos h LYS 48 CO -0.08 -0.02 0.11 -0.07 -3.45 0.00 0.00 179.45 175.94 2pos h LEU 49 N -0.03 0.59 -0.65 5.20 3.38 -1.21 -3.06 115.31 119.54 2pos h LEU 49 Ca 0.22 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pos h LEU 49 Cb 0.38 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2pos h LEU 49 CO -0.50 0.66 0.42 0.24 0.09 0.00 0.00 178.44 179.34 2pos h MET 50 N 0.50 0.81 0.00 1.13 2.86 -0.27 -2.49 114.93 117.46 2pos h MET 50 Ca 0.13 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2pos h MET 50 Cb 0.29 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2pos h MET 50 CO -0.00 0.54 0.00 0.00 1.06 0.00 0.00 176.91 178.50 2pos n GLY 52 N -0.55 2.76 3.07 0.00 0.00 -0.95 -4.89 105.19 104.63 2pos n GLY 52 Ca -0.01 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.54 2.14 0.30 2.61 2.01 -0.50 -5.00 115.64 115.65 2pos s THR 53 Ca 0.46 -1.57 0.04 0.00 0.31 0.00 0.00 61.69 60.94 2pos s THR 53 Cb 0.28 -2.23 0.29 0.00 0.01 0.00 0.00 72.50 70.85 2pos s THR 53 CO 0.25 0.01 1.79 0.00 -0.69 0.00 0.00 174.62 175.99 2pos h ALA 54 N 7.79 1.62 0.00 7.40 0.00 -1.90 -1.17 119.26 133.00 2pos h ALA 54 Ca -0.21 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2pos h ALA 54 Cb 1.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2pos h ALA 54 CO 0.47 0.03 -0.18 0.93 0.00 0.00 0.00 179.25 180.51 2pos h GLU 55 N 0.83 0.00 -0.51 0.00 3.07 -1.92 -1.65 114.58 114.40 2pos h GLU 55 Ca 0.55 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.32 2pos h GLU 55 Cb 0.78 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 2pos h GLU 55 CO -0.35 0.18 -0.06 0.00 -1.40 0.00 0.00 179.01 177.37 2pos h PHE 57 N 0.82 0.99 -0.43 0.00 -1.00 -1.33 -0.02 116.94 115.96 2pos h PHE 57 Ca 0.14 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.81 2pos h PHE 57 Cb 0.57 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 2pos h PHE 57 CO 0.03 0.85 0.28 1.15 -1.61 0.00 0.00 178.31 179.01 2pos h THR 58 N 0.84 1.10 -0.12 -1.55 2.02 -1.14 -1.30 112.91 112.76 2pos h THR 58 Ca 0.18 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2pos h THR 58 Cb 0.36 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2pos h THR 58 CO 0.00 0.10 0.08 0.25 0.37 0.00 0.00 175.52 176.32 2pos h LEU 59 N 0.56 0.15 -0.88 2.58 5.85 -0.32 -0.67 115.31 122.58 2pos h LEU 59 Ca 0.16 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2pos h LEU 59 Cb -0.05 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2pos h LEU 59 CO -0.04 0.15 0.57 0.40 -0.34 0.00 0.00 178.44 179.18 2pos h ILE 60 N 0.13 1.18 -0.51 4.05 1.08 -0.83 -0.17 117.51 122.43 2pos h ILE 60 Ca 0.04 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 2pos h ILE 60 Cb 0.03 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.70 2pos h ILE 60 CO -0.01 0.21 0.06 0.44 -0.69 0.00 0.00 178.15 178.15 2pos h ASP 61 N 1.14 0.78 -0.18 1.72 3.32 -1.04 -1.01 116.42 121.15 2pos h ASP 61 Ca 0.34 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2pos h ASP 61 Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2pos h ASP 61 CO -0.10 0.81 -0.10 0.00 -1.72 0.00 0.00 179.24 178.13 2pos h ALA 62 N 1.29 1.23 -0.30 3.45 0.00 -0.05 -1.87 119.26 123.01 2pos h ALA 62 Ca 0.16 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2pos h ALA 62 Cb 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pos h ALA 62 CO 0.01 0.50 -0.29 0.82 0.00 0.00 0.00 179.25 180.29 2pos h ILE 63 N 0.50 1.30 -0.88 0.00 2.04 -0.69 -3.04 117.51 116.73 2pos h ILE 63 Ca 0.09 -1.46 0.12 0.00 1.00 0.00 0.00 64.86 64.61 2pos h ILE 63 Cb 0.48 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 2pos h ILE 63 CO 0.03 0.47 0.50 0.11 0.00 0.00 0.00 178.15 179.26 2pos h LYS 64 N 0.48 0.75 0.00 2.37 1.57 -0.90 -1.37 116.57 119.48 2pos h LYS 64 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pos h LYS 64 Cb 0.87 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2pos h LYS 64 CO 0.07 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 2pos h ALA 65 N 1.52 1.00 -0.00 3.86 0.00 -1.23 -0.90 119.26 123.51 2pos h ALA 65 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2pos h ALA 65 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pos h ALA 65 CO -0.30 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.19 2pos n LEU 66 N -2.83 0.12 -3.55 0.00 4.77 -0.52 -4.97 117.00 110.02 2pos n LEU 66 Ca -0.01 0.23 -0.27 0.00 -0.03 0.00 0.00 56.01 55.93 2pos n LEU 66 Cb 0.13 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2pos n LEU 66 CO 0.20 0.02 -0.04 0.59 -1.33 0.00 0.00 177.39 176.83 2pos n ASN 67 N -1.23 -5.76 -4.76 -1.43 3.02 -0.34 -4.93 115.26 99.83 2pos n ASN 67 Ca 0.14 -0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 53.37 2pos n ASN 67 Cb 0.26 -3.94 0.01 0.00 -0.61 0.00 0.00 39.78 35.50 2pos n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2pos s PRO 68 N -5.49 3.72 0.59 3.52 0.04 -1.26 -5.00 135.00 131.12 2pos s PRO 68 Ca 0.47 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 2pos s PRO 68 Cb -0.14 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2pos s PRO 68 CO 0.82 -0.70 1.02 -0.80 0.04 0.00 0.00 177.00 177.39 2pos s ASN 69 N -0.83 6.17 -1.08 6.66 0.01 -1.26 -4.66 114.94 119.95 2pos s ASN 69 Ca 0.62 1.55 -0.18 0.00 -0.71 0.00 0.00 52.86 54.13 2pos s ASN 69 Cb -0.38 -2.49 0.11 0.00 0.41 0.00 0.00 41.25 38.90 2pos s ASN 69 CO 0.48 -0.91 1.38 -0.62 -1.51 0.00 0.00 177.10 175.92 2pos s ASP 70 N -3.60 6.74 0.19 -1.22 -1.08 -1.26 -3.98 116.67 112.46 2pos s ASP 70 Ca 0.58 -2.20 -0.23 0.00 -0.52 0.00 0.00 52.55 50.17 2pos s ASP 70 Cb -0.12 -2.47 0.05 0.00 -1.46 0.00 0.00 42.92 38.93 2pos s ASP 70 CO 0.45 -1.11 0.74 0.00 0.52 0.00 0.00 175.17 175.77 2pos s ILE 72 N -3.66 4.89 -0.18 0.00 -1.09 0.16 -4.23 121.20 117.09 2pos s ILE 72 Ca 0.07 0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 59.02 2pos s ILE 72 Cb -0.03 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2pos s ILE 72 CO -0.02 -0.23 0.90 -0.22 -1.23 0.00 0.00 174.94 174.14 2pos s LEU 73 N 2.72 4.16 -0.27 2.97 2.96 0.87 -0.54 118.68 131.55 2pos s LEU 73 Ca 0.26 1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 55.36 2pos s LEU 73 Cb -0.15 -3.35 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2pos s LEU 73 CO 0.13 -0.47 0.07 -0.69 -1.32 0.00 0.00 176.35 174.06 2pos s VAL 74 N 2.41 4.09 -0.43 1.68 1.01 -1.26 -1.90 120.40 126.00 2pos s VAL 74 Ca 0.41 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2pos s VAL 74 Cb -0.16 -2.99 0.13 0.00 0.00 0.00 0.00 36.38 33.36 2pos s VAL 74 CO 0.11 0.24 0.23 0.12 0.00 0.00 0.00 175.10 175.80 2pos s PHE 75 N 1.56 2.02 0.00 5.22 5.36 0.44 -5.01 117.98 127.56 2pos s PHE 75 Ca 0.05 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 53.61 2pos s PHE 75 Cb -0.16 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 2pos s PHE 75 CO 0.02 -0.79 0.00 0.41 -1.46 0.00 0.00 175.22 173.40 2pos n GLY 76 N 3.64 3.62 0.08 13.12 0.00 -1.26 -1.59 105.19 122.80 2pos n GLY 76 Ca 0.08 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 6.85 0.42 -4.70 1.61 8.00 -1.26 -4.83 116.55 122.64 2pos n ASP 77 Ca 0.00 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 2pos n ASP 77 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.65 4.84 -0.07 2.53 1.01 -0.62 -5.03 120.40 120.41 2pos s VAL 78 Ca 0.23 2.02 -0.00 0.00 0.00 0.00 0.00 61.98 64.23 2pos s VAL 78 Cb 0.19 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2pos s VAL 78 CO 0.52 0.10 -0.03 -0.13 0.00 0.00 0.00 175.10 175.56 2pos s ARG 79 N 1.43 0.91 0.03 2.72 0.52 -1.26 -0.42 118.95 122.88 2pos s ARG 79 Ca 0.50 -0.05 -0.14 0.00 -0.52 0.00 0.00 55.73 55.52 2pos s ARG 79 Cb -0.20 -1.09 0.02 0.00 0.52 0.00 0.00 34.95 34.21 2pos s ARG 79 CO 0.23 -0.22 0.31 -0.48 0.02 0.00 0.00 175.30 175.16 2pos s LEU 80 N 1.58 0.87 -0.46 2.53 2.34 -0.80 -4.80 118.68 119.95 2pos s LEU 80 Ca -0.00 -0.11 -0.16 0.00 0.06 0.00 0.00 54.13 53.92 2pos s LEU 80 Cb -0.13 1.33 0.05 0.00 -0.56 0.00 0.00 46.19 46.88 2pos s LEU 80 CO -0.04 -0.57 0.39 0.21 -1.06 0.00 0.00 176.35 175.28 2pos s ASN 81 N -1.86 6.15 0.28 1.48 3.84 -1.26 -0.09 114.94 123.47 2pos s ASN 81 Ca -0.07 -1.14 -0.01 0.00 0.21 0.00 0.00 52.86 51.84 2pos s ASN 81 Cb -0.02 -2.19 0.39 0.00 -0.55 0.00 0.00 41.25 38.88 2pos s ASN 81 CO -0.01 -0.61 1.81 0.58 -2.79 0.00 0.00 177.10 176.08 2pos h VAL 82 N 5.73 1.23 -0.53 -5.21 2.07 -1.82 -1.28 116.25 116.44 2pos h VAL 82 Ca -0.28 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 2pos h VAL 82 Cb 1.11 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2pos h VAL 82 CO 0.84 0.31 0.10 0.50 0.02 0.00 0.00 177.57 179.34 2pos h LYS 83 N 0.78 0.88 -0.06 1.57 3.64 -1.83 -1.61 116.57 119.93 2pos h LYS 83 Ca 0.17 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2pos h LYS 83 Cb 0.33 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2pos h LYS 83 CO 0.00 0.85 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.74 2pos h LYS 84 N 0.77 -0.09 -0.26 1.90 3.64 -1.80 -1.31 116.57 119.40 2pos h LYS 84 Ca 0.16 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2pos h LYS 84 Cb 0.39 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 2pos h LYS 84 CO 0.01 -0.06 -0.22 1.25 -2.27 0.00 0.00 179.45 178.16 2pos h LEU 85 N -0.10 -0.71 -0.30 5.20 5.85 -0.96 -0.88 115.31 123.42 2pos h LEU 85 Ca 0.05 0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 2pos h LEU 85 Cb 0.17 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2pos h LEU 85 CO -0.12 -0.26 -0.82 -0.37 -0.34 0.00 0.00 178.44 176.54 2pos h VAL 86 N -0.21 1.54 -0.08 1.05 -1.51 -1.19 -2.16 116.25 113.69 2pos h VAL 86 Ca 0.14 -2.83 -0.24 0.00 -1.23 0.00 0.00 66.70 62.54 2pos h VAL 86 Cb 0.43 2.55 0.01 0.00 -2.13 0.00 0.00 31.29 32.15 2pos h VAL 86 CO -0.39 0.80 -0.88 0.74 -1.23 0.00 0.00 177.57 176.61 2pos h THR 87 N 0.00 1.30 0.00 7.19 2.02 -0.97 -3.25 112.91 119.20 2pos h THR 87 Ca -0.01 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.04 2pos h THR 87 Cb 1.48 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 2pos h THR 87 CO 0.11 0.66 -0.27 -0.62 0.37 0.00 0.00 175.52 175.77 2pos n GLU 88 N -3.88 0.04 0.30 6.66 1.02 -0.36 -4.44 120.64 119.99 2pos n GLU 88 Ca -0.08 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.91 2pos n GLU 88 Cb 0.80 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.00 -1.11 0.07 -0.32 3.57 -1.42 -2.07 116.94 115.66 2pos h PHE 89 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2pos h PHE 89 Cb 0.54 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2pos h PHE 89 CO 0.00 -0.59 -0.14 0.93 -2.23 0.00 0.00 178.31 176.28 2pos h GLU 90 N -0.92 -0.27 0.00 1.11 5.08 -1.80 -1.18 114.58 116.61 2pos h GLU 90 Ca -0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2pos h GLU 90 Cb 0.78 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2pos h GLU 90 CO -0.00 -0.18 -0.03 -1.35 -1.00 0.00 0.00 179.01 176.45 2pos h PRO 91 N -0.28 0.00 0.00 2.33 0.11 -1.83 -2.04 132.00 130.29 2pos h PRO 91 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2pos h PRO 91 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2pos h PRO 91 CO -0.09 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 178.39 2pos h SER 92 N 0.00 0.00 1.31 -2.05 4.64 -0.47 -3.07 113.55 113.92 2pos h SER 92 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pos h SER 92 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2pos h SER 92 CO 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85