#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 4.27 0.00 -0.99 2.56 -1.26 -4.88 118.70 118.40 2pos s GLU 2 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 54.97 56.95 2pos s GLU 2 Cb 0.00 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.54 2pos s GLU 2 CO 0.00 -0.60 0.34 0.39 -0.56 0.00 0.00 175.26 174.83 2pos n GLU 3 N 5.48 0.86 -0.00 4.30 -0.58 -1.26 -4.44 120.64 125.01 2pos n GLU 3 Ca 0.13 -0.34 -0.04 0.00 -0.42 0.00 0.00 57.16 56.49 2pos n GLU 3 Cb 0.43 -0.83 -0.01 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.22 0.96 -1.69 2.62 -1.04 -1.26 -4.95 114.28 108.69 2pos n THR 4 Ca 0.00 0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.78 2pos n THR 4 Cb 0.02 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 2pos n THR 4 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2pos n LYS 5 N -3.56 2.78 -3.39 -2.82 4.81 -1.26 -4.83 118.16 109.89 2pos n LYS 5 Ca -0.07 1.01 -0.35 0.00 -0.87 0.00 0.00 58.31 58.03 2pos n LYS 5 Cb 0.29 -2.90 -0.06 0.00 0.02 0.00 0.00 35.03 32.38 2pos n LYS 5 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2pos s GLU 6 N 2.62 3.95 0.46 1.64 2.02 -1.26 -0.92 118.70 127.20 2pos s GLU 6 Ca 0.82 0.45 -0.23 0.00 0.02 0.00 0.00 54.97 56.02 2pos s GLU 6 Cb -0.49 -2.93 -0.07 0.00 0.10 0.00 0.00 34.13 30.74 2pos s GLU 6 CO 0.37 0.48 1.17 0.00 0.02 0.00 0.00 175.26 177.30 2pos s ALA 8 N -1.54 2.17 0.53 0.00 0.00 -1.26 -4.84 121.76 116.81 2pos s ALA 8 Ca 0.64 0.52 0.31 0.00 0.00 0.00 0.00 51.96 53.43 2pos s ALA 8 Cb -0.29 -3.35 1.76 0.00 0.00 0.00 0.00 23.12 21.24 2pos s ALA 8 CO 0.35 -1.80 2.20 0.35 0.00 0.00 0.00 175.76 176.86 2pos h PHE 9 N -0.74 0.00 -0.02 0.00 3.57 -2.00 -0.99 116.94 116.77 2pos h PHE 9 Ca -0.45 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.05 2pos h PHE 9 Cb 1.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2pos h PHE 9 CO 0.54 0.04 0.19 1.79 -2.23 0.00 0.00 178.31 178.64 2pos h THR 10 N 0.00 0.04 -0.38 4.41 1.35 -2.01 -0.49 112.91 115.84 2pos h THR 10 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2pos h THR 10 Cb 0.13 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 2pos h THR 10 CO 0.01 0.00 0.07 -0.08 -0.25 0.00 0.00 175.52 175.27 2pos h GLU 11 N 0.00 0.57 -0.52 4.72 4.57 -1.54 -1.97 114.58 120.42 2pos h GLU 11 Ca 0.01 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2pos h GLU 11 Cb 0.39 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2pos h GLU 11 CO -0.00 0.54 0.13 0.74 -1.18 0.00 0.00 179.01 179.25 2pos h PHE 12 N 0.56 0.87 0.00 0.92 -1.00 -1.28 -2.90 116.94 114.11 2pos h PHE 12 Ca 0.13 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 2pos h PHE 12 Cb 0.25 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2pos h PHE 12 CO 0.01 0.76 -0.17 0.74 -1.61 0.00 0.00 178.31 178.05 2pos h PHE 13 N 0.72 0.00 -0.12 -0.55 0.05 -1.42 -1.23 116.94 114.39 2pos h PHE 13 Ca 0.16 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.99 2pos h PHE 13 Cb 0.33 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.27 2pos h PHE 13 CO 0.02 0.17 0.13 -0.22 -0.18 0.00 0.00 178.31 178.22 2pos h LYS 14 N 0.00 0.00 -0.00 1.51 3.64 -1.16 -2.13 116.57 118.43 2pos h LYS 14 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pos h LYS 14 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2pos h LYS 14 CO 0.02 0.00 -0.06 1.28 -2.27 0.00 0.00 179.45 178.42 2pos n LEU 15 N -3.93 0.24 -0.35 5.20 4.77 -0.46 -4.37 117.00 118.09 2pos n LEU 15 Ca 0.00 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.16 2pos n LEU 15 Cb 0.24 -0.23 0.19 0.00 -2.33 0.00 0.00 43.42 41.29 2pos n LEU 15 CO 0.29 0.05 1.24 0.00 -1.33 0.00 0.00 177.39 177.63 2pos h ALA 16 N 3.52 1.39 0.00 -1.18 0.00 -1.51 -1.04 119.26 120.43 2pos h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pos h ALA 16 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pos h ALA 16 CO 0.00 0.34 0.00 -1.35 0.00 0.00 0.00 179.25 178.24 2pos h PRO 17 N 1.07 0.00 0.00 0.00 0.11 -1.83 -1.62 132.00 129.73 2pos h PRO 17 Ca 0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.51 2pos h PRO 17 Cb 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2pos h PRO 17 CO -0.21 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.31 2pos h LEU 18 N 0.00 0.00 -0.94 2.35 3.38 -1.51 -3.33 115.31 115.26 2pos h LEU 18 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2pos h LEU 18 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2pos h LEU 18 CO 0.00 0.20 0.52 0.00 0.09 0.00 0.00 178.44 179.25 2pos h ALA 19 N 1.80 1.53 -0.20 1.53 0.00 -1.44 -0.78 119.26 121.70 2pos h ALA 19 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pos h ALA 19 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2pos h ALA 19 CO 0.03 -0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.56 2pos n SER 20 N -4.87 2.64 -4.67 0.00 7.64 -1.25 -4.95 113.62 108.16 2pos n SER 20 Ca 0.22 -1.77 -0.42 0.00 1.01 0.00 0.00 58.87 57.90 2pos n SER 20 Cb 0.57 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2pos n SER 20 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2pos s ASN 21 N -1.13 6.53 0.65 6.43 3.84 -0.30 -4.86 114.94 126.10 2pos s ASN 21 Ca 0.23 2.54 0.42 0.00 0.21 0.00 0.00 52.86 56.25 2pos s ASN 21 Cb 0.14 -2.54 2.30 0.00 -0.55 0.00 0.00 41.25 40.59 2pos s ASN 21 CO 0.19 -0.98 2.34 1.55 -2.79 0.00 0.00 177.10 177.42 2pos h PRO 22 N 9.47 0.00 0.00 0.43 0.13 -1.92 -1.52 132.00 138.59 2pos h PRO 22 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2pos h PRO 22 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2pos h PRO 22 CO 0.94 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.50 2pos h ALA 23 N 2.00 1.05 0.92 -0.56 0.00 -1.89 -3.24 119.26 117.54 2pos h ALA 23 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2pos h ALA 23 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pos h ALA 23 CO 0.00 0.27 -0.44 1.25 0.00 0.00 0.00 179.25 180.33 2pos h LEU 24 N 0.00 -1.05 -0.83 0.00 5.85 -1.56 -0.97 115.31 116.75 2pos h LEU 24 Ca -0.00 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2pos h LEU 24 Cb 0.70 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2pos h LEU 24 CO 0.03 -0.75 -0.17 0.77 -0.34 0.00 0.00 178.44 177.98 2pos h SER 25 N -1.25 0.69 -0.08 1.25 4.64 -1.74 -1.07 113.55 115.99 2pos h SER 25 Ca -0.13 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 2pos h SER 25 Cb 0.95 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2pos h SER 25 CO 0.21 0.87 0.02 0.58 -0.87 0.00 0.00 176.83 177.64 2pos h VAL 26 N 0.62 1.18 -0.06 0.95 2.07 -1.57 0.22 116.25 119.66 2pos h VAL 26 Ca 0.10 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2pos h VAL 26 Cb 0.64 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2pos h VAL 26 CO 0.04 0.16 0.03 0.00 0.02 0.00 0.00 177.57 177.82 2pos h GLN 28 N 0.01 0.89 -0.26 0.00 4.20 -1.14 -1.53 115.11 117.27 2pos h GLN 28 Ca 0.02 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2pos h GLN 28 Cb 0.08 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2pos h GLN 28 CO -0.00 0.64 -0.28 -0.44 -0.67 0.00 0.00 178.83 178.08 2pos h ASP 29 N 0.88 0.54 0.07 1.46 3.32 -0.90 -1.00 116.42 120.79 2pos h ASP 29 Ca 0.23 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 2pos h ASP 29 Cb -0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2pos h ASP 29 CO -0.04 0.80 -0.59 0.00 -1.72 0.00 0.00 179.24 177.69 2pos h ALA 30 N 1.24 0.67 0.00 3.45 0.00 -0.89 -3.37 119.26 120.34 2pos h ALA 30 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pos h ALA 30 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2pos h ALA 30 CO 0.06 0.70 -1.30 -1.13 0.00 0.00 0.00 179.25 177.57 2pos n SER 31 N -3.93 1.98 0.00 0.00 3.41 -0.61 -4.89 113.62 109.59 2pos n SER 31 Ca -0.04 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2pos n SER 31 Cb 0.63 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 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 1.72 2.98 3.77 5.00 0.00 -0.39 -4.48 105.19 113.80 2pos n GLY 32 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.53 3.33 -0.05 1.61 -0.00 -1.26 -5.01 118.94 116.04 2pos s TRP 33 Ca 0.00 1.65 0.04 0.00 -0.00 0.00 0.00 56.10 57.79 2pos s TRP 33 Cb 0.00 -3.21 -0.00 0.00 -0.00 0.00 0.00 33.47 30.26 2pos s TRP 33 CO 0.00 -0.70 -0.17 -0.65 -0.00 0.00 0.00 176.95 175.43 2pos s GLN 34 N -2.16 1.78 -0.16 5.86 -1.52 -1.26 -4.22 119.66 117.98 2pos s GLN 34 Ca 0.54 -0.59 0.04 0.00 -1.95 0.00 0.00 55.36 53.40 2pos s GLN 34 Cb -0.26 -1.53 -0.23 0.00 -0.22 0.00 0.00 33.01 30.77 2pos s GLN 34 CO 0.33 0.22 0.21 -0.12 -0.25 0.00 0.00 175.29 175.67 2pos n MET 35 N 3.22 0.69 -3.88 2.91 0.00 -1.26 -1.11 117.12 117.69 2pos n MET 35 Ca -0.19 0.19 -0.30 0.00 -0.00 0.00 0.00 57.70 57.41 2pos n MET 35 Cb 0.53 -1.64 -0.16 0.00 0.00 0.00 0.00 33.22 31.95 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 -6.42 2.43 0.69 -0.89 1.43 -1.26 -1.35 118.68 113.31 2pos s LEU 36 Ca -0.20 -1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 51.52 2pos s LEU 36 Cb 0.07 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.24 2pos s LEU 36 CO 0.74 -0.28 1.13 -2.16 0.23 0.00 0.00 176.35 176.01 2pos s PRO 37 N 1.47 2.58 0.08 1.29 0.04 -1.26 -5.05 135.00 134.15 2pos s PRO 37 Ca -0.02 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 2pos s PRO 37 Cb -0.18 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2pos s PRO 37 CO -0.09 -1.43 1.84 -2.14 0.04 0.00 0.00 177.00 175.22 2pos s PRO 38 N -4.13 4.15 0.26 0.56 0.02 -0.46 -4.68 135.00 130.72 2pos s PRO 38 Ca 0.68 2.55 0.23 0.00 0.02 0.00 0.00 61.00 64.47 2pos s PRO 38 Cb -0.22 -3.77 0.10 0.00 0.02 0.00 0.00 34.50 30.63 2pos s PRO 38 CO 0.44 -0.86 1.20 0.00 -0.33 0.00 0.00 177.00 177.44 2pos h ALA 39 N 9.17 0.63 0.00 -1.55 0.00 -1.38 -3.47 119.26 122.66 2pos h ALA 39 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pos h ALA 39 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2pos h ALA 39 CO 0.94 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.60 2pos n GLY 40 N 1.17 0.02 3.75 0.00 0.00 -1.26 -4.92 105.19 103.94 2pos n GLY 40 Ca 0.01 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 3.62 0.20 1.61 1.51 -1.26 -4.95 117.35 118.08 2pos s TYR 41 Ca 0.00 1.68 -0.32 0.00 -1.01 0.00 0.00 57.07 57.41 2pos s TYR 41 Cb 0.00 -3.26 -0.14 0.00 -0.11 0.00 0.00 41.96 38.45 2pos s TYR 41 CO 0.00 -0.49 1.41 -2.30 -1.11 0.00 0.00 175.55 173.06 2pos n PRO 42 N 1.69 1.88 -1.23 -1.71 -0.02 -1.26 -4.98 135.00 129.37 2pos n PRO 42 Ca 0.00 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 2pos n PRO 42 Cb 0.45 -2.34 0.15 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.20 2.47 0.36 3.45 -4.23 -1.26 -4.71 115.64 111.92 2pos s THR 43 Ca 0.73 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 61.47 2pos s THR 43 Cb -0.71 -2.67 0.31 0.00 1.34 0.00 0.00 72.50 70.78 2pos s THR 43 CO 0.47 -0.20 1.89 -0.65 -0.54 0.00 0.00 174.62 175.59 2pos h PRO 44 N -1.62 0.70 -0.08 3.99 0.11 -1.98 0.20 132.00 133.31 2pos h PRO 44 Ca -0.51 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 2pos h PRO 44 Cb 1.30 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pos h PRO 44 CO 0.56 0.46 -0.04 0.93 -0.21 0.00 0.00 178.00 179.71 2pos h GLU 45 N 0.72 0.17 -0.78 1.05 3.07 -1.98 -1.52 114.58 115.31 2pos h GLU 45 Ca 0.41 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 2pos h GLU 45 Cb 0.58 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 2pos h GLU 45 CO -0.17 0.53 0.41 1.96 -1.40 0.00 0.00 179.01 180.34 2pos h GLN 46 N -0.20 1.10 -0.74 2.33 4.20 -1.68 -2.90 115.11 117.22 2pos h GLN 46 Ca 0.02 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 2pos h GLN 46 Cb 0.48 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2pos h GLN 46 CO 0.01 0.82 0.21 1.25 -0.67 0.00 0.00 178.83 180.45 2pos h LEU 47 N 1.08 1.09 -0.82 1.46 5.85 -0.50 0.13 115.31 123.61 2pos h LEU 47 Ca 0.27 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2pos h LEU 47 Cb 0.06 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2pos h LEU 47 CO -0.04 1.03 0.54 0.50 -0.34 0.00 0.00 178.44 180.12 2pos h LYS 48 N 1.11 1.04 -0.08 1.25 3.64 -1.15 0.19 116.57 122.56 2pos h LYS 48 Ca 0.23 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2pos h LYS 48 Cb 0.34 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2pos h LYS 48 CO -0.00 0.69 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.78 2pos h LEU 49 N 1.07 0.16 -0.93 5.20 3.38 -1.21 -3.15 115.31 119.83 2pos h LEU 49 Ca 0.31 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2pos h LEU 49 Cb -0.06 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 2pos h LEU 49 CO -0.09 0.47 0.57 0.24 0.09 0.00 0.00 178.44 179.73 2pos h MET 50 N -0.16 0.92 0.00 1.13 2.86 -0.52 -2.32 114.93 116.85 2pos h MET 50 Ca 0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2pos h MET 50 Cb 0.40 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2pos h MET 50 CO 0.01 0.61 0.00 0.00 1.06 0.00 0.00 176.91 178.59 2pos n GLY 52 N 0.16 2.81 3.00 0.00 0.00 -0.88 -4.89 105.19 105.38 2pos n GLY 52 Ca 0.02 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.41 1.86 0.29 2.61 2.01 -0.76 -5.01 115.64 115.22 2pos s THR 53 Ca 0.41 -1.45 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2pos s THR 53 Cb 0.24 -2.05 0.28 0.00 0.01 0.00 0.00 72.50 70.98 2pos s THR 53 CO 0.23 -0.08 1.78 0.00 -0.69 0.00 0.00 174.62 175.86 2pos h ALA 54 N 7.86 1.51 0.00 7.40 0.00 -1.90 -0.33 119.26 133.79 2pos h ALA 54 Ca -0.18 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2pos h ALA 54 Cb 1.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pos h ALA 54 CO 0.44 -0.03 -0.06 0.93 0.00 0.00 0.00 179.25 180.53 2pos h GLU 55 N 0.74 0.00 -0.13 0.00 3.07 -1.92 -1.65 114.58 114.69 2pos h GLU 55 Ca 0.53 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.22 2pos h GLU 55 Cb 0.76 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2pos h GLU 55 CO -0.36 0.06 -0.64 0.00 -1.40 0.00 0.00 179.01 176.67 2pos h PHE 57 N 0.35 0.88 -0.40 0.00 -1.00 -1.34 0.03 116.94 115.46 2pos h PHE 57 Ca -0.01 -0.11 0.03 0.00 2.81 0.00 0.00 57.97 60.68 2pos h PHE 57 Cb 1.20 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 2pos h PHE 57 CO 0.05 0.79 0.20 1.15 -1.61 0.00 0.00 178.31 178.88 2pos h THR 58 N 0.71 0.98 -0.19 -1.55 2.02 -1.23 -0.75 112.91 112.90 2pos h THR 58 Ca 0.16 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2pos h THR 58 Cb 0.37 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2pos h THR 58 CO 0.01 0.07 0.09 0.25 0.37 0.00 0.00 175.52 176.31 2pos h LEU 59 N 0.40 0.25 -0.79 2.58 5.85 -0.42 -0.07 115.31 123.10 2pos h LEU 59 Ca 0.17 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2pos h LEU 59 Cb 0.08 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2pos h LEU 59 CO -0.12 0.30 0.52 0.40 -0.34 0.00 0.00 178.44 179.20 2pos h ILE 60 N 0.18 1.16 -0.65 4.05 1.08 -0.78 -0.47 117.51 122.08 2pos h ILE 60 Ca 0.06 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2pos h ILE 60 Cb 0.12 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 33.88 2pos h ILE 60 CO -0.01 0.19 0.28 0.44 -0.69 0.00 0.00 178.15 178.36 2pos h ASP 61 N 1.03 0.86 -0.57 1.72 3.32 -0.88 -0.89 116.42 121.01 2pos h ASP 61 Ca 0.30 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2pos h ASP 61 Cb -0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2pos h ASP 61 CO -0.09 0.76 -0.02 0.00 -1.72 0.00 0.00 179.24 178.17 2pos h ALA 62 N 1.37 0.86 -0.49 3.45 0.00 0.10 -1.34 119.26 123.21 2pos h ALA 62 Ca 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2pos h ALA 62 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2pos h ALA 62 CO -0.02 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.75 2pos h ILE 63 N 0.94 1.26 -0.70 0.00 2.04 -0.79 -2.84 117.51 117.42 2pos h ILE 63 Ca 0.16 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.08 2pos h ILE 63 Cb 0.57 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2pos h ILE 63 CO 0.03 0.35 0.46 0.50 0.00 0.00 0.00 178.15 179.49 2pos h LYS 64 N 0.69 0.77 0.00 2.37 3.64 -0.87 -1.47 116.57 121.69 2pos h LYS 64 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2pos h LYS 64 Cb 0.45 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2pos h LYS 64 CO 0.02 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 2pos h ALA 65 N 1.61 1.00 -0.01 5.00 0.00 -1.00 -2.24 119.26 123.62 2pos h ALA 65 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2pos h ALA 65 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pos h ALA 65 CO -0.09 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.43 2pos n LEU 66 N -2.34 1.10 -3.41 0.00 4.77 -0.55 -4.98 117.00 111.58 2pos n LEU 66 Ca 0.01 -0.36 -0.19 0.00 -0.03 0.00 0.00 56.01 55.45 2pos n LEU 66 Cb 0.20 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 2pos n LEU 66 CO 0.19 0.18 0.02 0.59 -1.33 0.00 0.00 177.39 177.04 2pos n ASN 67 N -0.17 -4.77 -4.77 -1.43 3.02 -0.84 -4.93 115.26 101.37 2pos n ASN 67 Ca 0.20 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.59 2pos n ASN 67 Cb 0.30 -4.77 0.01 0.00 -0.61 0.00 0.00 39.78 34.70 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 -5.04 3.84 0.71 3.52 0.04 -1.26 -4.98 135.00 131.83 2pos s PRO 68 Ca 0.31 2.43 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 2pos s PRO 68 Cb -0.06 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.75 2pos s PRO 68 CO 0.77 -0.70 1.08 -0.80 0.04 0.00 0.00 177.00 177.39 2pos s ASN 69 N -0.43 4.99 -1.09 6.66 0.01 -1.26 -4.61 114.94 119.20 2pos s ASN 69 Ca 0.58 1.81 -0.20 0.00 -0.71 0.00 0.00 52.86 54.34 2pos s ASN 69 Cb -0.44 -2.52 0.08 0.00 0.41 0.00 0.00 41.25 38.78 2pos s ASN 69 CO 0.57 -1.71 1.46 -0.62 -1.51 0.00 0.00 177.10 175.29 2pos s ASP 70 N -3.26 6.67 0.21 -1.22 -1.08 -1.26 -4.01 116.67 112.71 2pos s ASP 70 Ca 0.62 -1.96 -0.23 0.00 -0.52 0.00 0.00 52.55 50.46 2pos s ASP 70 Cb -0.17 -2.52 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 2pos s ASP 70 CO 0.51 -1.26 0.70 0.00 0.52 0.00 0.00 175.17 175.63 2pos s ILE 72 N -3.76 4.84 -0.16 0.00 -1.09 -0.10 -4.10 121.20 116.82 2pos s ILE 72 Ca 0.07 0.58 -0.27 0.00 -2.23 0.00 0.00 60.65 58.79 2pos s ILE 72 Cb -0.03 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 2pos s ILE 72 CO -0.02 -0.40 0.94 -0.22 -1.23 0.00 0.00 174.94 174.01 2pos s LEU 73 N 2.84 4.18 -0.20 2.97 2.96 0.11 -0.58 118.68 130.95 2pos s LEU 73 Ca 0.26 1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 2pos s LEU 73 Cb -0.14 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2pos s LEU 73 CO 0.16 -0.48 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.00 2pos s VAL 74 N 2.35 3.74 -0.36 1.68 1.01 -1.26 -1.64 120.40 125.93 2pos s VAL 74 Ca 0.43 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2pos s VAL 74 Cb -0.17 -2.69 0.13 0.00 0.00 0.00 0.00 36.38 33.65 2pos s VAL 74 CO 0.13 0.43 0.20 0.12 0.00 0.00 0.00 175.10 175.97 2pos s PHE 75 N 1.09 1.01 0.00 5.22 5.36 -0.04 -5.02 117.98 125.61 2pos s PHE 75 Ca 0.02 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.29 2pos s PHE 75 Cb -0.14 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 2pos s PHE 75 CO 0.01 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.35 2pos n GLY 76 N 4.17 3.56 0.00 13.12 0.00 -1.26 -1.64 105.19 123.14 2pos n GLY 76 Ca 0.08 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 6.83 0.22 -4.70 1.61 8.00 -1.26 -4.83 116.55 122.42 2pos n ASP 77 Ca 0.00 0.19 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 2pos n ASP 77 Cb 0.00 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 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 -3.00 4.27 -0.15 2.53 1.01 -0.65 -5.02 120.40 119.39 2pos s VAL 78 Ca 0.13 1.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 2pos s VAL 78 Cb 0.18 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2pos s VAL 78 CO 0.60 0.06 -0.01 -0.13 0.00 0.00 0.00 175.10 175.62 2pos s ARG 79 N 1.63 0.99 -0.05 2.72 0.52 -1.26 -0.86 118.95 122.64 2pos s ARG 79 Ca 0.56 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 55.33 2pos s ARG 79 Cb -0.26 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.45 2pos s ARG 79 CO 0.25 -0.46 0.25 -0.48 0.02 0.00 0.00 175.30 174.88 2pos s LEU 80 N 1.79 1.08 -0.44 2.53 2.34 -0.65 -4.77 118.68 120.56 2pos s LEU 80 Ca 0.01 0.24 -0.20 0.00 0.06 0.00 0.00 54.13 54.24 2pos s LEU 80 Cb -0.15 0.95 0.03 0.00 -0.56 0.00 0.00 46.19 46.46 2pos s LEU 80 CO -0.07 -0.25 0.61 0.21 -1.06 0.00 0.00 176.35 175.79 2pos s ASN 81 N -0.61 6.30 0.26 1.48 3.84 -1.26 0.08 114.94 125.02 2pos s ASN 81 Ca -0.07 -0.43 0.01 0.00 0.21 0.00 0.00 52.86 52.58 2pos s ASN 81 Cb -0.04 -2.30 0.33 0.00 -0.55 0.00 0.00 41.25 38.68 2pos s ASN 81 CO 0.02 -0.76 1.66 0.58 -2.79 0.00 0.00 177.10 175.81 2pos h VAL 82 N 5.86 1.28 -0.58 -5.21 2.07 -1.81 -0.35 116.25 117.51 2pos h VAL 82 Ca -0.26 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 2pos h VAL 82 Cb 1.10 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2pos h VAL 82 CO 0.88 0.45 0.14 0.50 0.02 0.00 0.00 177.57 179.56 2pos h LYS 83 N 0.43 0.92 -0.19 1.57 3.64 -1.82 -1.68 116.57 119.44 2pos h LYS 83 Ca 0.05 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2pos h LYS 83 Cb 0.78 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2pos h LYS 83 CO 0.06 0.85 0.10 -0.22 -2.27 0.00 0.00 179.45 177.98 2pos h LYS 84 N 0.83 0.28 -0.34 1.90 3.64 -1.79 -1.82 116.57 119.26 2pos h LYS 84 Ca 0.18 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2pos h LYS 84 Cb 0.35 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 2pos h LYS 84 CO 0.00 0.29 -0.33 1.25 -2.27 0.00 0.00 179.45 178.39 2pos h LEU 85 N 0.20 -1.09 -0.60 5.20 5.85 -0.85 -0.81 115.31 123.20 2pos h LEU 85 Ca 0.07 0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 2pos h LEU 85 Cb 0.10 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2pos h LEU 85 CO -0.01 -0.33 -0.66 -0.37 -0.34 0.00 0.00 178.44 176.73 2pos h VAL 86 N -0.29 1.40 0.01 1.05 -1.51 -1.20 -2.48 116.25 113.23 2pos h VAL 86 Ca 0.15 -2.31 -0.26 0.00 -1.23 0.00 0.00 66.70 63.05 2pos h VAL 86 Cb 0.54 2.27 0.02 0.00 -2.13 0.00 0.00 31.29 31.99 2pos h VAL 86 CO -0.50 0.64 -1.05 0.74 -1.23 0.00 0.00 177.57 176.18 2pos h THR 87 N 0.00 1.30 -0.00 7.19 2.02 -1.09 -3.29 112.91 119.04 2pos h THR 87 Ca -0.01 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2pos h THR 87 Cb 1.22 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2pos h THR 87 CO 0.09 0.71 -0.25 -0.62 0.37 0.00 0.00 175.52 175.82 2pos n GLU 88 N -3.83 0.51 0.25 6.66 1.02 -0.33 -4.46 120.64 120.47 2pos n GLU 88 Ca -0.10 -0.25 -0.16 0.00 -0.02 0.00 0.00 57.16 56.63 2pos n GLU 88 Cb 0.89 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 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 0.61 -0.68 -0.11 -0.32 3.57 -1.52 -2.38 116.94 116.12 2pos h PHE 89 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pos h PHE 89 Cb 0.46 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2pos h PHE 89 CO 0.00 -0.40 0.07 0.93 -2.23 0.00 0.00 178.31 176.68 2pos h GLU 90 N -0.66 0.14 0.00 1.11 5.08 -1.82 -0.75 114.58 117.69 2pos h GLU 90 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2pos h GLU 90 Cb 0.54 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pos h GLU 90 CO 0.05 0.11 -0.04 -1.35 -1.00 0.00 0.00 179.01 176.78 2pos h PRO 91 N 0.13 0.00 0.00 2.33 0.11 -1.85 -2.22 132.00 130.50 2pos h PRO 91 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2pos h PRO 91 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2pos h PRO 91 CO -0.01 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 178.48 2pos h SER 92 N 0.00 0.00 1.36 -2.05 4.64 -0.58 -2.75 113.55 114.17 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 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2pos h SER 92 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97