#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dab s GLN 23 N 0.00 1.97 0.07 9.51 -2.07 -1.26 -5.08 119.66 122.80 3dab s GLN 23 Ca 0.00 -1.24 -0.21 0.00 -1.82 0.00 0.00 55.36 52.10 3dab s GLN 23 Cb 0.00 0.60 -0.11 0.00 -1.09 0.00 0.00 33.01 32.41 3dab s GLN 23 CO 0.00 -0.90 1.52 0.82 -1.32 0.00 0.00 175.29 175.41 3dab h ILE 24 N 2.03 1.24 -4.30 3.63 5.03 -2.05 -3.43 117.51 119.65 3dab h ILE 24 Ca -0.26 -0.78 -0.50 0.00 -0.12 0.00 0.00 64.86 63.21 3dab h ILE 24 Cb 1.25 1.42 0.07 0.00 -3.03 0.00 0.00 36.82 36.53 3dab h ILE 24 CO 0.32 0.23 0.39 0.20 -0.68 0.00 0.00 178.15 178.61 3dab s ASN 25 N -5.76 5.88 -0.06 1.72 0.01 -1.26 -4.80 114.94 110.67 3dab s ASN 25 Ca -0.14 1.58 0.03 0.00 -0.71 0.00 0.00 52.86 53.62 3dab s ASN 25 Cb 0.06 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.17 3dab s ASN 25 CO 0.72 -1.11 -0.01 0.00 -1.51 0.00 0.00 177.10 175.19 3dab n GLN 26 N -2.62 2.08 -3.90 -0.60 6.02 0.14 -4.91 117.38 113.59 3dab n GLN 26 Ca 0.07 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 3dab n GLN 26 Cb 0.54 -1.13 -0.10 0.00 1.02 0.00 0.00 30.24 30.56 3dab n GLN 26 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3dab s VAL 27 N -2.13 0.09 -0.23 5.09 -7.23 -0.54 -1.37 120.40 114.09 3dab s VAL 27 Ca -0.05 -0.77 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3dab s VAL 27 Cb 0.02 -0.45 -0.00 0.00 0.56 0.00 0.00 36.38 36.50 3dab s VAL 27 CO 0.19 -0.42 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.93 3dab s ARG 28 N -1.53 3.31 0.27 4.82 3.52 -0.19 -0.95 118.95 128.19 3dab s ARG 28 Ca -0.14 -0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 54.49 3dab s ARG 28 Cb -0.07 -3.05 -0.09 0.00 -1.56 0.00 0.00 34.95 30.17 3dab s ARG 28 CO 0.01 -0.24 1.18 -1.25 -0.81 0.00 0.00 175.30 174.18 3dab s PRO 29 N 1.47 4.53 0.80 5.12 0.04 -1.26 -1.09 135.00 144.62 3dab s PRO 29 Ca 0.05 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 3dab s PRO 29 Cb -0.15 -3.17 0.08 0.00 0.04 0.00 0.00 34.50 31.30 3dab s PRO 29 CO -0.03 0.03 1.16 0.15 0.04 0.00 0.00 177.00 178.36 3dab s LYS 30 N -1.19 1.76 0.21 4.56 1.02 0.85 -4.41 119.74 122.54 3dab s LYS 30 Ca 0.48 1.55 -0.20 0.00 0.02 0.00 0.00 55.97 57.82 3dab s LYS 30 Cb -0.34 -1.81 0.17 0.00 -0.52 0.00 0.00 37.83 35.33 3dab s LYS 30 CO 0.43 -2.08 1.55 1.25 -0.92 0.00 0.00 175.35 175.58 3dab h LEU 31 N -1.04 -1.59 -0.98 3.17 5.85 -1.96 0.34 115.31 119.10 3dab h LEU 31 Ca -0.45 0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3dab h LEU 31 Cb 1.27 0.80 -0.05 0.00 0.37 0.00 0.00 40.66 43.05 3dab h LEU 31 CO 0.47 -0.28 0.64 1.55 -0.34 0.00 0.00 178.44 180.49 3dab h PRO 32 N -0.00 1.23 -0.17 5.25 0.13 -1.97 -0.33 132.00 136.14 3dab h PRO 32 Ca 0.31 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 65.18 3dab h PRO 32 Cb 0.56 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 3dab h PRO 32 CO -0.98 0.82 -0.64 1.25 -0.23 0.00 0.00 178.00 178.22 3dab h LEU 33 N 1.27 0.70 -0.85 1.56 5.85 -1.62 -2.77 115.31 119.46 3dab h LEU 33 Ca 0.38 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3dab h LEU 33 Cb -0.05 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3dab h LEU 33 CO -0.11 1.16 0.56 0.25 -0.34 0.00 0.00 178.44 179.95 3dab h LEU 34 N 0.45 0.94 -0.44 2.25 5.85 -0.32 -1.08 115.31 122.96 3dab h LEU 34 Ca -0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3dab h LEU 34 Cb 1.21 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3dab h LEU 34 CO 0.12 0.67 0.22 0.11 -0.34 0.00 0.00 178.44 179.22 3dab h LYS 35 N 1.11 0.63 -0.24 1.25 1.57 -0.96 -0.52 116.57 119.40 3dab h LYS 35 Ca 0.32 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3dab h LYS 35 Cb -0.07 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 3dab h LYS 35 CO -0.09 0.53 -0.05 0.82 -0.57 0.00 0.00 179.45 180.10 3dab h ILE 36 N 0.57 0.77 -0.61 1.86 2.04 -1.26 0.55 117.51 121.44 3dab h ILE 36 Ca 0.15 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3dab h ILE 36 Cb 0.10 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3dab h ILE 36 CO -0.02 0.00 0.29 -0.07 0.00 0.00 0.00 178.15 178.35 3dab h LEU 37 N 0.01 0.81 -0.53 1.44 3.38 -0.89 -1.93 115.31 117.61 3dab h LEU 37 Ca 0.12 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dab h LEU 37 Cb 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3dab h LEU 37 CO -0.24 0.72 0.34 0.45 0.09 0.00 0.00 178.44 179.80 3dab h HIS 38 N 0.84 0.65 -0.11 1.13 3.86 -0.92 -0.98 115.15 119.61 3dab h HIS 38 Ca 0.21 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 3dab h HIS 38 Cb 0.13 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3dab h HIS 38 CO 0.00 0.39 0.08 0.00 0.86 0.00 0.00 177.93 179.27 3dab h ALA 39 N 1.21 2.08 -0.01 2.45 0.00 -0.41 -1.11 119.26 123.46 3dab h ALA 39 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dab h ALA 39 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dab h ALA 39 CO -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.01 3dab n ALA 40 N -2.55 2.68 0.00 0.00 0.00 -0.77 -4.91 120.51 114.97 3dab n ALA 40 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3dab n ALA 40 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3dab n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dab n GLY 41 N 1.16 1.05 3.77 0.00 0.00 -0.42 -4.80 105.19 105.94 3dab n GLY 41 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3dab n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dab s ALA 42 N -2.00 3.50 -0.09 4.61 0.00 -0.44 -4.98 121.76 122.36 3dab s ALA 42 Ca 0.00 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 3dab s ALA 42 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3dab s ALA 42 CO 0.00 -0.61 -0.04 -0.65 0.00 0.00 0.00 175.76 174.46 3dab s GLN 43 N -1.69 2.98 0.52 0.00 -0.21 -1.26 -4.42 119.66 115.58 3dab s GLN 43 Ca 0.49 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.37 3dab s GLN 43 Cb -0.39 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 30.91 3dab s GLN 43 CO 0.51 0.61 0.00 0.41 -2.12 0.00 0.00 175.29 174.70 3dab n GLY 44 N 2.41 -1.91 0.00 3.09 0.00 -1.26 -4.84 105.19 102.69 3dab n GLY 44 Ca -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3dab n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dab n GLU 45 N -0.00 0.37 -4.21 1.61 0.28 -1.26 -4.97 120.64 112.45 3dab n GLU 45 Ca 0.00 -0.57 -0.19 0.00 -0.16 0.00 0.00 57.16 56.24 3dab n GLU 45 Cb 0.00 -0.58 -0.12 0.00 1.43 0.00 0.00 31.44 32.17 3dab n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dab s MET 46 N -0.13 0.85 0.17 3.44 0.23 -1.26 -4.17 119.30 118.43 3dab s MET 46 Ca 0.00 -0.92 -0.09 0.00 -1.03 0.00 0.00 55.69 53.65 3dab s MET 46 Cb 0.00 -0.87 -0.01 0.00 -1.53 0.00 0.00 34.83 32.42 3dab s MET 46 CO 0.00 0.20 0.29 -0.06 -2.03 0.00 0.00 175.02 173.42 3dab s PHE 47 N -1.17 0.38 0.54 3.16 0.08 -0.13 -4.98 117.98 115.86 3dab s PHE 47 Ca -0.01 -0.75 -0.08 0.00 0.12 0.00 0.00 56.93 56.22 3dab s PHE 47 Cb -0.10 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 3dab s PHE 47 CO 0.02 -0.73 0.88 0.95 -0.10 0.00 0.00 175.22 176.24 3dab s THR 48 N -3.97 4.83 0.28 0.64 -4.23 -1.26 -0.69 115.64 111.25 3dab s THR 48 Ca 0.17 0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 3dab s THR 48 Cb 0.03 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 70.16 3dab s THR 48 CO 0.00 -0.96 1.83 0.58 -0.54 0.00 0.00 174.62 175.53 3dab h VAL 49 N 0.03 1.22 -0.53 2.29 2.07 -1.95 -2.45 116.25 116.94 3dab h VAL 49 Ca -0.46 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 66.33 3dab h VAL 49 Cb 1.20 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 3dab h VAL 49 CO 0.62 0.30 0.14 0.50 0.02 0.00 0.00 177.57 179.15 3dab h LYS 50 N 0.78 0.28 -0.84 1.57 3.11 -2.00 -1.55 116.57 117.92 3dab h LYS 50 Ca 0.17 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 3dab h LYS 50 Cb 0.30 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.43 3dab h LYS 50 CO -0.00 0.18 0.42 0.93 -2.81 0.00 0.00 179.45 178.18 3dab h GLU 51 N 0.29 1.20 0.01 1.90 5.08 -1.85 -0.58 114.58 120.64 3dab h GLU 51 Ca 0.27 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3dab h GLU 51 Cb 0.35 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dab h GLU 51 CO -0.32 0.91 -0.00 0.28 -1.00 0.00 0.00 179.01 178.88 3dab h VAL 52 N 1.19 1.08 -0.42 3.13 2.07 -1.01 0.04 116.25 122.34 3dab h VAL 52 Ca 0.29 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3dab h VAL 52 Cb 0.09 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3dab h VAL 52 CO -0.04 0.07 0.12 0.24 0.02 0.00 0.00 177.57 177.98 3dab h MET 53 N -0.13 0.25 0.05 1.57 2.86 -1.14 0.49 114.93 118.89 3dab h MET 53 Ca -0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3dab h MET 53 Cb 0.13 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3dab h MET 53 CO 0.00 0.17 -0.10 1.25 1.06 0.00 0.00 176.91 179.29 3dab h HIS 54 N 0.26 -0.26 0.00 -0.22 6.17 -0.79 -2.13 115.15 118.19 3dab h HIS 54 Ca 0.20 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.19 3dab h HIS 54 Cb 0.22 0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 3dab h HIS 54 CO -0.18 -0.16 -0.44 1.88 0.71 0.00 0.00 177.93 179.74 3dab h TYR 55 N -0.20 0.00 -0.33 5.26 0.05 -0.64 -1.01 116.97 120.10 3dab h TYR 55 Ca 0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 3dab h TYR 55 Cb 0.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3dab h TYR 55 CO -0.14 0.44 -0.04 1.25 -1.05 0.00 0.00 178.16 178.62 3dab h LEU 56 N 0.00 0.61 -0.52 3.88 6.46 -0.80 -0.44 115.31 124.50 3dab h LEU 56 Ca -0.00 -0.34 0.04 0.00 -0.12 0.00 0.00 57.88 57.46 3dab h LEU 56 Cb 0.96 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 3dab h LEU 56 CO 0.06 0.80 0.27 1.23 -0.62 0.00 0.00 178.44 180.18 3dab h GLY 57 N 0.40 0.73 1.02 3.75 0.00 -1.03 -2.33 103.07 105.60 3dab h GLY 57 Ca 0.09 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3dab h GLY 57 CO 0.03 0.13 0.65 1.46 0.00 0.00 0.00 176.54 178.81 3dab h GLN 58 N 0.53 1.31 0.03 4.80 1.08 -0.99 -1.96 115.11 119.92 3dab h GLN 58 Ca 0.22 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3dab h GLN 58 Cb 0.11 -0.29 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 3dab h GLN 58 CO -0.14 0.88 -0.02 -0.92 -0.95 0.00 0.00 178.83 177.67 3dab h TYR 59 N 1.35 -0.05 -0.74 2.96 3.20 -0.82 0.47 116.97 123.36 3dab h TYR 59 Ca 0.36 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.30 3dab h TYR 59 Cb -0.14 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 3dab h TYR 59 CO 0.00 -0.03 0.42 0.82 -1.64 0.00 0.00 178.16 177.73 3dab h ILE 60 N -0.05 0.96 -0.11 1.81 2.04 -1.12 -0.82 117.51 120.22 3dab h ILE 60 Ca -0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3dab h ILE 60 Cb 0.04 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3dab h ILE 60 CO 0.00 0.14 0.02 0.24 0.00 0.00 0.00 178.15 178.55 3dab h MET 61 N 0.76 0.19 -0.12 2.37 2.86 -1.08 -1.27 114.93 118.63 3dab h MET 61 Ca 0.33 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.80 3dab h MET 61 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3dab h MET 61 CO -0.20 0.38 -0.46 0.28 1.06 0.00 0.00 176.91 177.97 3dab h VAL 62 N -0.04 1.33 -0.00 -2.22 2.07 -0.61 -2.15 116.25 114.63 3dab h VAL 62 Ca 0.03 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3dab h VAL 62 Cb 0.28 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3dab h VAL 62 CO 0.00 0.50 -0.11 0.29 0.02 0.00 0.00 177.57 178.27 3dab n LYS 63 N -3.98 0.45 -3.62 1.57 4.76 -0.34 -4.96 118.16 112.04 3dab n LYS 63 Ca -0.02 -0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 55.09 3dab n LYS 63 Cb 0.52 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.26 3dab n LYS 63 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dab n GLN 64 N -1.17 -4.44 0.09 1.97 6.02 -0.69 -4.91 117.38 114.24 3dab n GLN 64 Ca 0.12 0.66 0.12 0.00 -0.01 0.00 0.00 57.00 57.89 3dab n GLN 64 Cb 0.29 -5.21 0.09 0.00 1.02 0.00 0.00 30.24 26.42 3dab n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dab h LEU 65 N -1.79 0.00 -9.93 1.08 3.38 -1.54 -3.47 115.31 103.04 3dab h LEU 65 Ca -0.61 -0.12 -0.48 0.00 0.09 0.00 0.00 57.88 56.76 3dab h LEU 65 Cb 1.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.11 3dab h LEU 65 CO 0.53 0.06 0.41 -0.72 0.09 0.00 0.00 178.44 178.81 3dab s TYR 66 N -3.25 3.38 0.12 1.13 -0.85 -1.26 -0.29 117.35 116.33 3dab s TYR 66 Ca 0.03 1.67 -0.31 0.00 -0.52 0.00 0.00 57.07 57.95 3dab s TYR 66 Cb 0.11 -3.11 -0.09 0.00 0.38 0.00 0.00 41.96 39.25 3dab s TYR 66 CO 0.75 -0.47 1.62 0.34 -1.52 0.00 0.00 175.55 176.27 3dab s ASP 67 N -1.48 6.58 0.50 -0.18 2.15 -0.30 -4.88 116.67 119.06 3dab s ASP 67 Ca 0.55 2.57 0.27 0.00 0.43 0.00 0.00 52.55 56.37 3dab s ASP 67 Cb -0.23 -2.58 1.28 0.00 -0.30 0.00 0.00 42.92 41.09 3dab s ASP 67 CO 0.29 -0.86 1.98 1.56 -0.17 0.00 0.00 175.17 177.96 3dab h GLN 68 N 7.55 0.00 0.03 4.34 4.20 -1.94 -3.06 115.11 126.23 3dab h GLN 68 Ca -0.43 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.90 3dab h GLN 68 Cb 1.20 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.93 3dab h GLN 68 CO 0.92 0.15 -2.22 1.04 -0.67 0.00 0.00 178.83 178.05 3dab n GLN 69 N -3.46 0.65 -3.68 1.46 3.00 -1.26 -4.66 117.38 109.42 3dab n GLN 69 Ca -0.01 0.27 -0.36 0.00 -0.01 0.00 0.00 57.00 56.89 3dab n GLN 69 Cb 0.31 -1.59 -0.08 0.00 0.00 0.00 0.00 30.24 28.89 3dab n GLN 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3dab s GLU 70 N -2.50 2.94 0.00 -1.09 0.41 -1.22 -4.96 118.70 112.28 3dab s GLU 70 Ca -0.32 -2.98 0.20 0.00 -0.41 0.00 0.00 54.97 51.46 3dab s GLU 70 Cb 0.10 -3.84 1.08 0.00 -1.78 0.00 0.00 34.13 29.69 3dab s GLU 70 CO 0.61 -1.23 1.58 1.04 -0.49 0.00 0.00 175.26 176.77 3dab n GLN 71 N 2.79 0.45 0.18 1.61 6.02 -1.16 -1.66 117.38 125.61 3dab n GLN 71 Ca 0.16 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 3dab n GLN 71 Cb 0.37 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.40 3dab n GLN 71 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 3dab h HIS 72 N 0.00 0.00 -3.32 1.08 2.07 -1.93 -3.44 115.15 109.62 3dab h HIS 72 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 3dab h HIS 72 Cb 0.09 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.01 3dab h HIS 72 CO 0.00 0.00 -0.01 -1.64 -3.07 0.00 0.00 177.93 173.21 3dab s MET 73 N -3.19 4.34 -0.16 5.12 -1.94 -0.67 -0.57 119.30 122.23 3dab s MET 73 Ca 0.08 0.73 0.01 0.00 -1.71 0.00 0.00 55.69 54.80 3dab s MET 73 Cb 0.08 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.56 3dab s MET 73 CO 0.64 0.29 -0.19 0.08 -0.01 0.00 0.00 175.02 175.83 3dab s VAL 74 N 0.07 2.25 -0.53 -6.03 1.01 0.93 -1.15 120.40 116.94 3dab s VAL 74 Ca 0.32 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3dab s VAL 74 Cb -0.18 -1.93 0.13 0.00 0.00 0.00 0.00 36.38 34.40 3dab s VAL 74 CO 0.17 0.53 0.44 -0.31 0.00 0.00 0.00 175.10 175.92 3dab s TYR 75 N 1.03 3.40 -1.75 5.22 1.51 0.60 -1.35 117.35 126.01 3dab s TYR 75 Ca -0.01 -1.75 0.15 0.00 -1.01 0.00 0.00 57.07 54.45 3dab s TYR 75 Cb -0.14 -3.61 0.08 0.00 -0.11 0.00 0.00 41.96 38.18 3dab s TYR 75 CO -0.06 -1.00 0.93 0.00 -1.11 0.00 0.00 175.55 174.32 3dab s GLY 77 N -1.43 1.34 0.00 0.00 0.00 0.00 -1.06 107.32 106.17 3dab s GLY 77 Ca 0.16 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.47 3dab s GLY 77 CO 0.25 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.78 3dab n GLY 78 N 3.71 2.21 3.92 0.20 0.00 -1.26 -4.98 105.19 108.99 3dab n GLY 78 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3dab n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dab s ASP 79 N -3.48 6.41 0.42 1.61 2.15 -0.22 -4.99 116.67 118.56 3dab s ASP 79 Ca 0.00 0.56 0.18 0.00 0.43 0.00 0.00 52.55 53.73 3dab s ASP 79 Cb 0.00 -2.08 1.09 0.00 -0.30 0.00 0.00 42.92 41.63 3dab s ASP 79 CO 0.00 -0.14 1.83 0.25 -0.17 0.00 0.00 175.17 176.94 3dab h LEU 80 N 1.74 0.41 -0.93 -1.34 5.85 -1.96 -0.16 115.31 118.92 3dab h LEU 80 Ca -0.48 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3dab h LEU 80 Cb 1.19 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3dab h LEU 80 CO 0.66 0.15 0.61 0.25 -0.34 0.00 0.00 178.44 179.77 3dab h LEU 81 N 0.40 1.04 -0.86 2.25 5.85 -1.94 0.12 115.31 122.16 3dab h LEU 81 Ca 0.50 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 59.10 3dab h LEU 81 Cb 1.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3dab h LEU 81 CO -0.20 0.73 -0.25 1.23 -0.34 0.00 0.00 178.44 179.62 3dab h GLY 82 N 1.22 0.62 0.97 3.75 0.00 -0.71 -0.60 103.07 108.31 3dab h GLY 82 Ca 0.35 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3dab h GLY 82 CO -0.09 0.47 0.18 0.83 0.00 0.00 0.00 176.54 177.93 3dab h GLU 83 N 0.50 0.74 -0.58 4.80 4.39 -0.91 0.35 114.58 123.87 3dab h GLU 83 Ca 0.07 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3dab h GLU 83 Cb 0.69 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 3dab h GLU 83 CO 0.05 0.67 0.27 1.25 -1.16 0.00 0.00 179.01 180.10 3dab h LEU 84 N 0.65 0.77 0.00 1.33 6.46 -0.81 -2.86 115.31 120.84 3dab h LEU 84 Ca 0.16 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3dab h LEU 84 Cb 0.22 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3dab h LEU 84 CO -0.01 0.69 -0.33 -0.07 -0.62 0.00 0.00 178.44 178.09 3dab h LEU 85 N 0.79 0.00 1.37 2.25 3.38 -1.07 -3.48 115.31 118.54 3dab h LEU 85 Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 3dab h LEU 85 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3dab h LEU 85 CO -0.02 0.12 -0.29 0.61 0.09 0.00 0.00 178.44 178.95 3dab n GLY 86 N 1.15 0.36 3.05 0.83 0.00 0.12 -5.02 105.19 105.68 3dab n GLY 86 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3dab n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dab s ARG 87 N -4.08 0.47 0.30 1.61 0.52 -0.91 -5.03 118.95 111.82 3dab s ARG 87 Ca 0.00 -0.82 0.15 0.00 -0.52 0.00 0.00 55.73 54.54 3dab s ARG 87 Cb 0.00 0.17 0.26 0.00 0.52 0.00 0.00 34.95 35.90 3dab s ARG 87 CO 0.00 -0.09 1.53 1.96 0.02 0.00 0.00 175.30 178.72 3dab h GLN 88 N 3.96 0.00 -2.37 3.54 4.20 -1.91 -3.37 115.11 119.16 3dab h GLN 88 Ca -0.33 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.47 3dab h GLN 88 Cb 1.18 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.81 3dab h GLN 88 CO 0.51 0.51 0.46 -1.54 -0.67 0.00 0.00 178.83 178.10 3dab s SER 89 N -6.48 -0.39 0.22 1.46 1.04 -1.26 -0.82 113.70 107.47 3dab s SER 89 Ca 0.02 0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 3dab s SER 89 Cb 0.09 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 3dab s SER 89 CO 0.73 -0.67 0.44 0.72 0.98 0.00 0.00 173.24 175.45 3dab s PHE 90 N -3.18 0.32 -0.14 5.02 -0.12 -0.46 -4.97 117.98 114.46 3dab s PHE 90 Ca 0.04 -0.67 -0.02 0.00 -0.05 0.00 0.00 56.93 56.23 3dab s PHE 90 Cb -0.01 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 3dab s PHE 90 CO -0.09 -0.92 -0.06 0.45 -0.05 0.00 0.00 175.22 174.54 3dab s SER 91 N -2.99 4.58 0.00 1.98 0.15 -1.26 -0.05 113.70 116.11 3dab s SER 91 Ca 0.20 -0.16 0.22 0.00 0.70 0.00 0.00 55.95 56.90 3dab s SER 91 Cb 0.00 -1.65 1.04 0.00 -1.71 0.00 0.00 66.02 63.70 3dab s SER 91 CO 0.06 0.20 1.69 0.55 1.20 0.00 0.00 173.24 176.94 3dab n VAL 92 N 3.33 0.39 0.93 4.45 3.14 0.26 -1.62 118.33 129.22 3dab n VAL 92 Ca -0.18 0.10 0.13 0.00 -2.96 0.00 0.00 64.34 61.43 3dab n VAL 92 Cb 0.53 -0.74 0.42 0.00 -1.06 0.00 0.00 33.84 32.98 3dab n VAL 92 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3dab n LYS 93 N -1.35 0.05 -3.20 1.45 5.02 -1.26 -4.22 118.16 114.64 3dab n LYS 93 Ca 0.09 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 3dab n LYS 93 Cb 0.20 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 3dab n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3dab n ASP 94 N -1.62 1.45 0.00 4.39 -0.08 -0.64 -5.01 116.55 115.05 3dab n ASP 94 Ca 0.06 -3.02 0.10 0.00 -1.51 0.00 0.00 54.79 50.42 3dab n ASP 94 Cb 0.35 -0.63 0.61 0.00 2.34 0.00 0.00 41.12 43.79 3dab n ASP 94 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3dab n PRO 95 N 0.81 0.83 -0.31 -0.67 -0.04 -1.21 -4.37 135.00 130.04 3dab n PRO 95 Ca 0.25 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 3dab n PRO 95 Cb 0.53 -1.38 0.20 0.00 -0.04 0.00 0.00 33.50 32.80 3dab n PRO 95 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3dab h SER 96 N 0.00 -0.54 -0.00 3.54 0.87 -1.95 0.67 113.55 116.13 3dab h SER 96 Ca 0.00 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3dab h SER 96 Cb 0.00 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3dab h SER 96 CO 0.00 -0.28 -0.01 -0.65 -0.53 0.00 0.00 176.83 175.36 3dab h PRO 97 N 0.04 0.05 0.02 2.24 0.11 -1.95 -1.04 132.00 131.47 3dab h PRO 97 Ca 0.49 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 3dab h PRO 97 Cb 0.89 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dab h PRO 97 CO -0.84 0.07 -0.01 1.25 -0.21 0.00 0.00 178.00 178.26 3dab h LEU 98 N 0.05 -0.02 -0.91 2.35 5.85 -1.20 -2.29 115.31 119.15 3dab h LEU 98 Ca 0.01 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 3dab h LEU 98 Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3dab h LEU 98 CO 0.00 0.29 -0.13 1.88 -0.34 0.00 0.00 178.44 180.14 3dab h TYR 99 N -0.33 0.72 -0.19 1.25 -1.99 -1.16 -0.40 116.97 114.88 3dab h TYR 99 Ca -0.00 -0.13 0.04 0.00 2.00 0.00 0.00 58.73 60.64 3dab h TYR 99 Cb 0.31 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 3dab h TYR 99 CO 0.03 0.76 -0.03 -0.44 -0.00 0.00 0.00 178.16 178.48 3dab h ASP 100 N 0.60 -0.14 -0.49 3.88 3.32 -1.23 -1.42 116.42 120.95 3dab h ASP 100 Ca 0.10 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dab h ASP 100 Cb 0.57 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3dab h ASP 100 CO 0.04 -0.04 0.29 -0.03 -1.72 0.00 0.00 179.24 177.78 3dab h MET 101 N 0.02 0.66 -0.76 3.56 4.05 -0.91 -2.62 114.93 118.94 3dab h MET 101 Ca 0.09 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3dab h MET 101 Cb 0.13 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 3dab h MET 101 CO -0.18 0.48 0.30 -0.07 0.23 0.00 0.00 176.91 177.68 3dab h LEU 102 N 0.65 1.05 -1.18 3.39 3.38 -0.87 -0.66 115.31 121.07 3dab h LEU 102 Ca 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dab h LEU 102 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3dab h LEU 102 CO -0.03 0.93 0.53 0.03 0.09 0.00 0.00 178.44 179.99 3dab h ARG 103 N 1.09 1.08 0.00 1.13 3.08 -1.07 0.92 114.38 120.62 3dab h ARG 103 Ca 0.25 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 3dab h ARG 103 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3dab h ARG 103 CO -0.02 0.73 -0.34 0.87 -1.07 0.00 0.00 179.97 180.13 3dab h LYS 104 N 1.11 0.00 -0.00 0.04 1.57 -1.08 -3.37 116.57 114.83 3dab h LYS 104 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3dab h LYS 104 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3dab h LYS 104 CO -0.06 0.34 -0.01 0.09 -0.57 0.00 0.00 179.45 179.24 3dab n ASN 105 N -3.20 1.11 -4.38 0.86 3.02 -0.29 -4.89 115.26 107.49 3dab n ASN 105 Ca 0.02 -1.05 -0.37 0.00 -0.03 0.00 0.00 54.58 53.15 3dab n ASN 105 Cb 0.65 0.12 -0.13 0.00 -0.61 0.00 0.00 39.78 39.82 3dab n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dab s LEU 106 N -0.47 3.52 -0.37 3.41 1.43 0.28 -0.11 118.68 126.37 3dab s LEU 106 Ca 0.03 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 3dab s LEU 106 Cb 0.02 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3dab s LEU 106 CO 0.04 -0.10 0.59 -0.69 0.23 0.00 0.00 176.35 176.42 3dab s VAL 107 N 1.54 4.93 0.11 -1.59 1.01 -0.25 -4.82 120.40 121.32 3dab s VAL 107 Ca 0.05 0.37 -0.31 0.00 0.00 0.00 0.00 61.98 62.08 3dab s VAL 107 Cb -0.16 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 3dab s VAL 107 CO 0.02 -0.35 1.80 -0.89 0.00 0.00 0.00 175.10 175.68 3dab s THR 108 N 2.61 2.66 -2.00 3.92 2.01 -1.26 -1.02 115.64 122.55 3dab s THR 108 Ca 0.22 0.14 0.16 0.00 0.31 0.00 0.00 61.69 62.52 3dab s THR 108 Cb -0.15 -3.09 0.45 0.00 0.01 0.00 0.00 72.50 69.72 3dab s THR 108 CO 0.15 -0.00 1.35 0.18 -0.69 0.00 0.00 174.62 175.61