#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbn n ASP 18 N 0.00 0.00 -4.82 6.43 5.75 -1.26 -4.86 116.55 117.78 3fbn n ASP 18 Ca 0.00 -0.10 -0.38 0.00 -0.01 0.00 0.00 54.79 54.30 3fbn n ASP 18 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3fbn n ASP 18 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fbn s GLN 19 N -2.00 4.08 0.08 0.11 -0.21 -1.26 -5.08 119.66 115.38 3fbn s GLN 19 Ca 0.04 0.60 -0.02 0.00 0.02 0.00 0.00 55.36 56.00 3fbn s GLN 19 Cb 0.02 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.84 3fbn s GLN 19 CO 0.03 0.60 0.02 0.54 -2.12 0.00 0.00 175.29 174.36 3fbn s ASN 20 N -1.28 0.40 0.99 5.90 6.03 -1.26 -5.16 114.94 120.56 3fbn s ASN 20 Ca 0.30 -1.02 -0.16 0.00 -1.03 0.00 0.00 52.86 50.96 3fbn s ASN 20 Cb -0.18 0.24 -0.10 0.00 -3.03 0.00 0.00 41.25 38.19 3fbn s ASN 20 CO 0.18 -0.65 -0.50 -2.65 -2.03 0.00 0.00 177.10 171.45 3fbn n PRO 21 N 0.04 -0.10 -1.63 3.55 -0.02 -1.26 -4.95 135.00 130.63 3fbn n PRO 21 Ca -0.12 -0.02 -0.33 0.00 -2.02 0.00 0.00 63.50 61.02 3fbn n PRO 21 Cb 0.62 -1.24 0.06 0.00 -0.02 0.00 0.00 33.50 32.92 3fbn n PRO 21 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fbn s LEU 22 N 5.48 3.31 0.75 2.45 1.43 -1.26 -5.01 118.68 125.83 3fbn s LEU 22 Ca 0.45 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 3fbn s LEU 22 Cb -0.18 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.54 3fbn s LEU 22 CO 0.78 -1.75 1.09 -2.16 0.23 0.00 0.00 176.35 174.55 3fbn s PRO 23 N -4.27 2.34 0.84 1.29 0.04 -1.26 -5.08 135.00 128.91 3fbn s PRO 23 Ca 0.66 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 3fbn s PRO 23 Cb -0.20 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.58 3fbn s PRO 23 CO 0.45 -1.58 1.18 0.99 0.04 0.00 0.00 177.00 178.08 3fbn s THR 24 N -2.82 2.08 0.07 1.26 2.01 -1.26 -4.87 115.64 112.11 3fbn s THR 24 Ca 0.62 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.30 3fbn s THR 24 Cb -0.18 -2.92 -0.15 0.00 0.01 0.00 0.00 72.50 69.27 3fbn s THR 24 CO 0.54 0.00 1.30 -0.09 -0.69 0.00 0.00 174.62 175.68 3fbn h ARG 25 N -1.15 0.65 0.21 4.92 2.43 -1.97 0.20 114.38 119.67 3fbn h ARG 25 Ca -0.43 -0.47 0.01 0.00 -0.81 0.00 0.00 59.98 58.27 3fbn h ARG 25 Cb 1.27 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3fbn h ARG 25 CO 0.47 1.09 -0.25 0.35 -1.51 0.00 0.00 179.97 180.12 3fbn h PHE 26 N 0.33 -0.68 -0.56 2.20 3.57 -1.99 -0.55 116.94 119.27 3fbn h PHE 26 Ca -0.02 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3fbn h PHE 26 Cb 1.13 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 3fbn h PHE 26 CO 0.10 -0.37 0.37 0.93 -2.23 0.00 0.00 178.31 177.11 3fbn h GLU 27 N -0.52 0.58 -0.02 1.11 5.08 -1.90 -1.12 114.58 117.79 3fbn h GLU 27 Ca 0.00 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 3fbn h GLU 27 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fbn h GLU 27 CO -0.08 0.38 -0.91 0.28 -1.00 0.00 0.00 179.01 177.68 3fbn h VAL 28 N 0.60 1.38 0.02 3.13 2.07 -0.30 -2.34 116.25 120.81 3fbn h VAL 28 Ca 0.23 -2.36 -0.21 0.00 0.82 0.00 0.00 66.70 65.17 3fbn h VAL 28 Cb 0.16 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3fbn h VAL 28 CO -0.06 0.71 -0.99 -0.33 0.02 0.00 0.00 177.57 176.91 3fbn h GLU 29 N 0.26 0.08 -0.23 1.57 5.08 -0.56 -1.74 114.58 119.04 3fbn h GLU 29 Ca -0.07 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3fbn h GLU 29 Cb 1.53 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3fbn h GLU 29 CO 0.16 1.00 -0.06 1.25 -1.00 0.00 0.00 179.01 180.36 3fbn h LEU 30 N 0.03 0.46 -1.30 1.33 5.85 -1.27 0.11 115.31 120.52 3fbn h LEU 30 Ca -0.04 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3fbn h LEU 30 Cb 1.71 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 3fbn h LEU 30 CO 0.14 0.72 0.40 -0.33 -0.34 0.00 0.00 178.44 179.04 3fbn h GLU 31 N 0.18 0.88 0.04 1.25 5.08 -1.37 -2.94 114.58 117.70 3fbn h GLU 31 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fbn h GLU 31 Cb 0.53 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3fbn h GLU 31 CO 0.02 0.61 -0.02 0.35 -1.00 0.00 0.00 179.01 178.97 3fbn h PHE 32 N 0.90 -0.05 -0.78 4.33 3.57 -1.05 -3.09 116.94 120.77 3fbn h PHE 32 Ca 0.24 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.91 3fbn h PHE 32 Cb -0.05 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3fbn h PHE 32 CO 0.00 0.58 0.52 0.97 -2.23 0.00 0.00 178.31 178.16 3fbn h ILE 33 N -0.92 0.74 0.00 1.41 2.10 -0.82 -1.78 117.51 118.24 3fbn h ILE 33 Ca -0.01 -0.12 -0.08 0.00 1.08 0.00 0.00 64.86 65.73 3fbn h ILE 33 Cb 0.66 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 36.75 3fbn h ILE 33 CO 0.01 0.06 -0.40 1.56 -1.08 0.00 0.00 178.15 178.30 3fbn h GLN 34 N 0.34 0.00 0.00 2.19 4.20 -1.56 -2.95 115.11 117.33 3fbn h GLN 34 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3fbn h GLN 34 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3fbn h GLN 34 CO -0.11 0.40 0.00 -1.13 -0.67 0.00 0.00 178.83 177.32 3fbn n SER 35 N -3.35 0.00 0.00 1.46 3.41 -0.67 -2.13 113.62 112.34 3fbn n SER 35 Ca 0.01 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3fbn n SER 35 Cb 0.60 -0.47 0.62 0.00 -0.26 0.00 0.00 64.21 64.70 3fbn n SER 35 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fbn n LEU 36 N -1.47 0.00 0.16 1.04 4.77 -1.11 -2.46 117.00 117.93 3fbn n LEU 36 Ca 0.07 0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 3fbn n LEU 36 Cb 0.26 -0.10 0.46 0.00 -2.33 0.00 0.00 43.42 41.71 3fbn n LEU 36 CO 0.22 -0.03 0.88 0.00 -1.33 0.00 0.00 177.39 177.13 3fbn h ALA 37 N 3.26 1.00 -2.72 -1.18 0.00 -1.63 -3.42 119.26 114.57 3fbn h ALA 37 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 3fbn h ALA 37 Cb 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.63 3fbn h ALA 37 CO 0.00 0.00 -0.49 1.21 0.00 0.00 0.00 179.25 179.97 3fbn s ASN 38 N -4.81 5.84 0.31 0.00 3.84 -1.03 -4.80 114.94 114.29 3fbn s ASN 38 Ca 0.06 -0.95 -0.01 0.00 0.21 0.00 0.00 52.86 52.17 3fbn s ASN 38 Cb 0.10 -2.06 0.49 0.00 -0.55 0.00 0.00 41.25 39.22 3fbn s ASN 38 CO 0.52 -0.40 1.96 0.40 -2.79 0.00 0.00 177.10 176.79 3fbn h ILE 39 N 5.80 1.17 -0.85 -5.21 1.08 -1.88 -1.16 117.51 116.46 3fbn h ILE 39 Ca -0.26 -0.37 0.12 0.00 -0.39 0.00 0.00 64.86 63.96 3fbn h ILE 39 Cb 1.11 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 3fbn h ILE 39 CO 0.68 0.20 0.47 1.56 -0.69 0.00 0.00 178.15 180.37 3fbn h GLN 40 N 1.07 0.70 -0.04 2.37 1.08 -1.96 -0.80 115.11 117.53 3fbn h GLN 40 Ca 0.32 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 3fbn h GLN 40 Cb -0.05 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.22 3fbn h GLN 40 CO -0.08 0.46 -0.03 -0.92 -0.95 0.00 0.00 178.83 177.31 3fbn h TYR 41 N 0.72 0.10 -0.51 2.96 3.20 -1.55 -1.22 116.97 120.68 3fbn h TYR 41 Ca 0.44 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.40 3fbn h TYR 41 Cb 0.52 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 3fbn h TYR 41 CO -0.07 0.53 0.36 0.28 -1.64 0.00 0.00 178.16 177.61 3fbn h VAL 42 N -0.35 0.81 -0.08 1.81 2.07 -1.22 -1.01 116.25 118.28 3fbn h VAL 42 Ca 0.01 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3fbn h VAL 42 Cb 0.51 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3fbn h VAL 42 CO 0.01 0.03 -0.08 0.74 0.02 0.00 0.00 177.57 178.28 3fbn h THR 43 N 0.14 1.37 -0.71 2.57 2.02 -0.84 -2.80 112.91 114.67 3fbn h THR 43 Ca 0.24 -1.25 0.21 0.00 0.77 0.00 0.00 66.41 66.37 3fbn h THR 43 Cb 0.77 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 3fbn h THR 43 CO -0.03 0.35 0.59 0.22 0.37 0.00 0.00 175.52 177.01 3fbn h TYR 44 N -0.25 0.00 0.00 3.16 5.03 0.03 -2.46 116.97 122.48 3fbn h TYR 44 Ca 0.01 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 3fbn h TYR 44 Cb 0.60 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 3fbn h TYR 44 CO 0.09 0.00 -0.01 -0.07 -1.32 0.00 0.00 178.16 176.86 3fbn h LEU 45 N 0.00 0.00 -2.11 2.82 3.38 -1.21 -3.31 115.31 114.89 3fbn h LEU 45 Ca 0.34 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3fbn h LEU 45 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3fbn h LEU 45 CO -0.00 0.96 0.00 -0.07 0.09 0.00 0.00 178.44 179.41 3fbn h LEU 46 N -1.00 0.00 -4.71 1.67 3.38 -1.20 0.08 115.31 113.53 3fbn h LEU 46 Ca -0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3fbn h LEU 46 Cb 0.91 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.33 3fbn h LEU 46 CO -0.00 0.00 0.34 0.35 0.09 0.00 0.00 178.44 179.22 3fbn n THR 47 N -2.73 3.12 -4.14 0.22 -2.24 -0.97 -4.50 114.28 103.04 3fbn n THR 47 Ca -0.02 -4.43 -0.28 0.00 -2.27 0.00 0.00 64.05 57.05 3fbn n THR 47 Cb 0.10 -1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 67.01 3fbn n THR 47 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fbn s GLN 48 N -3.85 2.60 -0.21 -0.78 -1.52 0.01 -4.94 119.66 110.98 3fbn s GLN 48 Ca 0.51 -0.94 -0.07 0.00 -1.95 0.00 0.00 55.36 52.91 3fbn s GLN 48 Cb 0.43 -2.51 -0.20 0.00 -0.22 0.00 0.00 33.01 30.51 3fbn s GLN 48 CO -0.29 0.49 0.02 1.04 -0.25 0.00 0.00 175.29 176.30 3fbn n GLN 49 N 0.05 0.67 -0.08 2.91 3.00 -1.26 -4.52 117.38 118.15 3fbn n GLN 49 Ca -0.10 0.26 -0.13 0.00 -0.01 0.00 0.00 57.00 57.03 3fbn n GLN 49 Cb 0.54 -1.61 -0.05 0.00 0.00 0.00 0.00 30.24 29.11 3fbn n GLN 49 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 3fbn h GLN 50 N -0.25 0.54 0.00 -1.09 5.75 -1.91 -3.29 115.11 114.85 3fbn h GLN 50 Ca -0.51 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 57.73 3fbn h GLN 50 Cb 1.83 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.38 3fbn h GLN 50 CO -0.09 0.83 0.00 0.44 -2.65 0.00 0.00 178.83 177.36 3fbn n ILE 51 N -4.44 0.91 0.49 2.39 -5.35 -1.26 -1.50 119.36 110.61 3fbn n ILE 51 Ca -0.04 0.41 0.09 0.00 -0.27 0.00 0.00 62.75 62.94 3fbn n ILE 51 Cb 0.38 -1.36 0.12 0.00 -1.74 0.00 0.00 39.64 37.04 3fbn n ILE 51 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3fbn n TRP 52 N -2.24 0.20 0.18 4.28 5.03 -1.24 -4.23 117.44 119.41 3fbn n TRP 52 Ca 0.01 -0.13 -0.13 0.00 3.03 0.00 0.00 57.50 60.28 3fbn n TRP 52 Cb 0.16 -0.00 -0.08 0.00 -1.03 0.00 0.00 31.31 30.36 3fbn n TRP 52 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 3fbn h LYS 53 N 3.54 -0.45 -5.89 -0.99 1.57 -1.40 -3.45 116.57 109.50 3fbn h LYS 53 Ca 0.00 0.03 -0.63 0.00 -1.87 0.00 0.00 60.65 58.19 3fbn h LYS 53 Cb 0.80 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 3fbn h LYS 53 CO 0.00 -0.13 -0.46 -1.54 -0.57 0.00 0.00 179.45 176.75 3fbn s SER 54 N -5.02 6.40 0.00 0.86 1.04 -1.26 -4.98 113.70 110.74 3fbn s SER 54 Ca -0.14 0.39 0.10 0.00 0.48 0.00 0.00 55.95 56.78 3fbn s SER 54 Cb 0.02 -2.01 0.53 0.00 0.10 0.00 0.00 66.02 64.66 3fbn s SER 54 CO 0.51 0.22 1.14 -0.81 0.98 0.00 0.00 173.24 175.27 3fbn n PRO 55 N 0.71 0.21 0.12 4.02 -0.04 -1.26 -3.77 135.00 134.99 3fbn n PRO 55 Ca -0.08 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 3fbn n PRO 55 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 3fbn n PRO 55 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3fbn h ASN 56 N 0.00 -1.37 -0.26 3.54 4.21 -1.94 0.27 115.58 120.04 3fbn h ASN 56 Ca 0.00 0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.66 3fbn h ASN 56 Cb 0.05 0.50 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 3fbn h ASN 56 CO 0.00 -0.50 0.15 0.15 -1.29 0.00 0.00 177.43 175.94 3fbn h PHE 57 N -0.70 0.28 -0.68 1.19 3.57 -1.74 0.22 116.94 119.09 3fbn h PHE 57 Ca -0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3fbn h PHE 57 Cb 0.68 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 3fbn h PHE 57 CO -0.40 0.17 0.28 -0.22 -2.23 0.00 0.00 178.31 175.90 3fbn h LYS 58 N 0.31 0.45 -0.06 1.11 3.64 -1.76 -1.76 116.57 118.49 3fbn h LYS 58 Ca 0.10 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3fbn h LYS 58 Cb -0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3fbn h LYS 58 CO -0.05 0.30 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.04 3fbn h ASN 59 N 0.46 0.17 -0.20 4.20 2.35 0.22 -2.81 115.58 119.97 3fbn h ASN 59 Ca 0.35 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.98 3fbn h ASN 59 Cb 0.46 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3fbn h ASN 59 CO -0.33 0.62 -0.06 0.22 -1.65 0.00 0.00 177.43 176.23 3fbn h TYR 60 N 0.13 0.44 0.00 1.19 3.20 -0.37 -2.31 116.97 119.24 3fbn h TYR 60 Ca 0.01 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 3fbn h TYR 60 Cb 0.89 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3fbn h TYR 60 CO 0.01 0.65 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.94 3fbn h LEU 61 N 0.10 0.00 -0.43 2.82 3.38 -1.25 -1.15 115.31 118.79 3fbn h LEU 61 Ca 0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3fbn h LEU 61 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3fbn h LEU 61 CO 0.02 0.17 -0.65 0.50 0.09 0.00 0.00 178.44 178.57 3fbn h LYS 62 N 0.00 0.52 -0.46 1.13 3.64 -1.39 -3.09 116.57 116.93 3fbn h LYS 62 Ca -0.00 -0.38 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3fbn h LYS 62 Cb 0.30 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3fbn h LYS 62 CO 0.02 1.00 0.30 -0.92 -2.27 0.00 0.00 179.45 177.58 3fbn h TYR 63 N 0.37 0.48 0.00 1.91 5.03 -0.66 -2.74 116.97 121.37 3fbn h TYR 63 Ca -0.02 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3fbn h TYR 63 Cb 1.22 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.34 3fbn h TYR 63 CO 0.05 0.28 0.00 1.28 -1.32 0.00 0.00 178.16 178.45 3fbn n LEU 64 N -4.48 0.00 0.00 2.82 4.77 -0.77 -2.92 117.00 116.42 3fbn n LEU 64 Ca 0.05 0.33 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 3fbn n LEU 64 Cb 0.15 -0.33 0.16 0.00 -2.33 0.00 0.00 43.42 41.08 3fbn n LEU 64 CO 0.35 -0.10 0.36 -0.62 -1.33 0.00 0.00 177.39 176.04 3fbn n GLU 65 N -1.33 0.38 0.19 3.23 1.02 -1.03 -2.34 120.64 120.76 3fbn n GLU 65 Ca 0.09 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 3fbn n GLU 65 Cb 0.18 -1.22 0.46 0.00 -0.02 0.00 0.00 31.44 30.84 3fbn n GLU 65 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3fbn h TYR 66 N 0.00 0.00 0.00 -0.32 -0.00 -1.79 -2.24 116.97 112.62 3fbn h TYR 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3fbn h TYR 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3fbn h TYR 66 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 178.16 176.67 3fbn h TRP 67 N 0.00 0.00 0.00 0.10 4.06 -1.77 -3.21 115.95 115.13 3fbn h TRP 67 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3fbn h TRP 67 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 3fbn h TRP 67 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 3fbn s ASN 69 N -2.60 2.78 0.62 0.00 0.02 -1.21 -4.84 114.94 109.71 3fbn s ASN 69 Ca 0.14 -0.98 -0.15 0.00 -1.02 0.00 0.00 52.86 50.85 3fbn s ASN 69 Cb 0.10 -0.17 -0.02 0.00 0.02 0.00 0.00 41.25 41.18 3fbn s ASN 69 CO 0.24 -0.09 1.07 -2.16 0.02 0.00 0.00 177.10 176.18 3fbn s PRO 70 N -3.37 3.11 0.00 -0.60 0.04 -1.26 -0.73 135.00 132.18 3fbn s PRO 70 Ca 0.22 1.24 0.29 0.00 0.04 0.00 0.00 61.00 62.79 3fbn s PRO 70 Cb -0.03 -2.00 1.57 0.00 0.04 0.00 0.00 34.50 34.08 3fbn s PRO 70 CO 0.08 -0.99 2.04 -0.35 0.04 0.00 0.00 177.00 177.82 3fbn n PRO 71 N -2.27 0.60 0.15 0.56 -0.05 -1.26 -4.84 135.00 127.90 3fbn n PRO 71 Ca 0.09 0.01 -0.14 0.00 -0.05 0.00 0.00 63.50 63.41 3fbn n PRO 71 Cb 0.53 -1.50 -0.08 0.00 -0.05 0.00 0.00 33.50 32.40 3fbn n PRO 71 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3fbn h TYR 72 N 0.00 -0.30 -0.94 0.54 -1.99 -1.50 -2.97 116.97 109.80 3fbn h TYR 72 Ca 0.00 -0.01 0.27 0.00 2.00 0.00 0.00 58.73 60.99 3fbn h TYR 72 Cb 0.17 0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.96 3fbn h TYR 72 CO 0.00 -0.12 0.68 0.66 -0.00 0.00 0.00 178.16 179.37 3fbn h SER 73 N -0.41 0.02 0.10 3.88 4.64 -0.29 0.17 113.55 121.65 3fbn h SER 73 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3fbn h SER 73 Cb 0.31 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3fbn h SER 73 CO 0.05 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3fbn n GLN 74 N -4.26 0.09 -0.02 4.77 6.02 -1.12 -2.58 117.38 120.27 3fbn n GLN 74 Ca 0.20 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.48 3fbn n GLN 74 Cb 1.00 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 3fbn n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fbn s ILE 76 N -3.30 3.14 -0.08 0.00 -1.09 -1.06 -4.90 121.20 113.90 3fbn s ILE 76 Ca -0.08 0.41 0.21 0.00 -2.23 0.00 0.00 60.65 58.96 3fbn s ILE 76 Cb 0.12 -3.26 -0.29 0.00 -1.58 0.00 0.00 42.46 37.45 3fbn s ILE 76 CO 0.86 -0.02 0.46 0.52 -1.23 0.00 0.00 174.94 175.53 3fbn n VAL 77 N 5.11 0.36 -3.81 2.92 0.31 -1.26 -4.74 118.33 117.20 3fbn n VAL 77 Ca 0.17 -0.58 -0.33 0.00 -0.01 0.00 0.00 64.34 63.59 3fbn n VAL 77 Cb 0.41 -0.14 -0.11 0.00 -0.91 0.00 0.00 33.84 33.09 3fbn n VAL 77 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3fbn s TYR 78 N -3.29 3.41 0.34 3.52 2.02 -1.26 -4.97 117.35 117.11 3fbn s TYR 78 Ca -0.08 -3.01 0.24 0.00 -0.37 0.00 0.00 57.07 53.86 3fbn s TYR 78 Cb 0.12 -3.00 1.20 0.00 -0.40 0.00 0.00 41.96 39.88 3fbn s TYR 78 CO 0.88 -0.75 1.97 -1.35 -1.57 0.00 0.00 175.55 174.73 3fbn h PRO 79 N 6.48 0.00 -0.18 -1.71 0.11 -1.97 -2.72 132.00 132.00 3fbn h PRO 79 Ca 0.01 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.17 3fbn h PRO 79 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3fbn h PRO 79 CO 0.72 0.19 0.15 -0.91 -0.21 0.00 0.00 178.00 177.94 3fbn h ASN 80 N 0.00 0.00 -0.36 -2.05 2.35 -1.93 -2.76 115.58 110.82 3fbn h ASN 80 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3fbn h ASN 80 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3fbn h ASN 80 CO 0.02 0.00 0.14 0.00 -1.65 0.00 0.00 177.43 175.94 3fbn h LEU 82 N 0.61 0.50 0.24 0.00 3.38 -1.71 -0.20 115.31 118.12 3fbn h LEU 82 Ca 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3fbn h LEU 82 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fbn h LEU 82 CO -0.01 0.91 -0.11 0.15 0.09 0.00 0.00 178.44 179.47 3fbn h PHE 83 N 0.36 -0.30 -1.00 1.13 3.57 -1.55 -2.63 116.94 116.52 3fbn h PHE 83 Ca 0.02 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.70 3fbn h PHE 83 Cb 0.99 0.10 -0.11 0.00 2.79 0.00 0.00 35.95 39.73 3fbn h PHE 83 CO 0.03 0.07 0.61 0.82 -2.23 0.00 0.00 178.31 177.62 3fbn h ILE 84 N -0.91 0.69 -0.29 1.41 2.04 -1.36 -0.28 117.51 118.81 3fbn h ILE 84 Ca -0.03 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3fbn h ILE 84 Cb 0.50 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3fbn h ILE 84 CO 0.05 0.14 0.17 0.25 0.00 0.00 0.00 178.15 178.76 3fbn h LEU 85 N 0.75 0.28 -0.80 1.44 5.85 -1.04 -0.27 115.31 121.53 3fbn h LEU 85 Ca 0.58 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.29 3fbn h LEU 85 Cb 0.93 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3fbn h LEU 85 CO -0.38 0.21 0.43 0.11 -0.34 0.00 0.00 178.44 178.47 3fbn h LYS 86 N 0.35 1.11 0.23 1.25 1.79 -0.70 -1.13 116.57 119.48 3fbn h LYS 86 Ca 0.11 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3fbn h LYS 86 Cb -0.01 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.43 3fbn h LYS 86 CO -0.05 0.82 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.97 3fbn h LEU 87 N 1.11 -0.26 -1.02 2.94 3.38 -1.11 -2.49 115.31 117.85 3fbn h LEU 87 Ca 0.28 -0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.30 3fbn h LEU 87 Cb 0.04 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.74 3fbn h LEU 87 CO -0.04 0.04 0.60 0.25 0.09 0.00 0.00 178.44 179.38 3fbn h LEU 88 N -0.57 0.71 0.07 1.67 5.85 -0.88 0.38 115.31 122.54 3fbn h LEU 88 Ca -0.03 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fbn h LEU 88 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3fbn h LEU 88 CO 0.05 0.17 -0.03 0.78 -0.34 0.00 0.00 178.44 179.07 3fbn h ASN 89 N 0.65 -0.08 -0.80 1.25 2.35 -1.03 -2.62 115.58 115.29 3fbn h ASN 89 Ca 0.62 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3fbn h ASN 89 Cb 1.10 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 3fbn h ASN 89 CO -0.43 0.28 0.50 1.23 -1.65 0.00 0.00 177.43 177.36 3fbn h GLY 90 N -0.44 1.16 0.22 2.83 0.00 -0.94 -1.49 103.07 104.40 3fbn h GLY 90 Ca -0.01 -0.47 0.13 0.00 0.00 0.00 0.00 47.33 46.98 3fbn h GLY 90 CO 0.02 0.45 0.27 -2.75 0.00 0.00 0.00 176.54 174.53 3fbn h PHE 91 N 1.11 0.46 -0.62 5.60 3.57 -0.89 -3.05 116.94 123.10 3fbn h PHE 91 Ca 0.29 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3fbn h PHE 91 Cb -0.07 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3fbn h PHE 91 CO 0.00 0.07 0.31 0.52 -2.23 0.00 0.00 178.31 176.98 3fbn h MET 92 N 0.42 0.89 0.02 1.11 2.86 -0.88 0.32 114.93 119.67 3fbn h MET 92 Ca 0.38 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.92 3fbn h MET 92 Cb 0.54 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3fbn h MET 92 CO -0.38 0.71 -0.25 0.93 1.06 0.00 0.00 176.91 178.98 3fbn h GLU 93 N 0.85 -0.39 0.00 1.72 5.08 -1.47 -2.11 114.58 118.27 3fbn h GLU 93 Ca 0.21 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3fbn h GLU 93 Cb 0.10 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3fbn h GLU 93 CO -0.03 -0.26 -0.14 0.66 -1.00 0.00 0.00 179.01 178.24 3fbn h SER 94 N -0.40 0.00 -2.96 1.42 4.64 -1.64 -3.46 113.55 111.15 3fbn h SER 94 Ca 0.06 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.78 3fbn h SER 94 Cb 0.48 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.65 3fbn h SER 94 CO -0.21 0.02 0.76 0.00 -0.87 0.00 0.00 176.83 176.53 3fbn n ALA 95 N -1.84 1.88 -2.72 5.18 0.00 0.10 -4.96 120.51 118.15 3fbn n ALA 95 Ca 0.05 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.50 3fbn n ALA 95 Cb 0.45 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 3fbn n ALA 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fbn s ILE 96 N 0.03 5.02 -0.14 0.00 1.01 -1.26 -4.97 121.20 120.89 3fbn s ILE 96 Ca 0.67 0.05 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 3fbn s ILE 96 Cb -0.57 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3fbn s ILE 96 CO 0.48 0.26 0.43 -0.69 0.00 0.00 0.00 174.94 175.42 3fbn s VAL 97 N 1.72 5.21 1.36 2.92 1.01 -1.26 -0.92 120.40 130.43 3fbn s VAL 97 Ca 0.07 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 3fbn s VAL 97 Cb -0.16 -3.77 0.34 0.00 0.00 0.00 0.00 36.38 32.80 3fbn s VAL 97 CO 0.09 0.32 0.99 0.21 0.00 0.00 0.00 175.10 176.71 3fbn s ASN 98 N 0.66 -0.47 0.37 3.32 2.47 0.85 -4.86 114.94 117.29 3fbn s ASN 98 Ca 0.23 0.78 0.20 0.00 0.42 0.00 0.00 52.86 54.49 3fbn s ASN 98 Cb -0.15 -1.09 0.23 0.00 -1.45 0.00 0.00 41.25 38.79 3fbn s ASN 98 CO 0.08 -4.99 1.52 -0.33 -3.72 0.00 0.00 177.10 169.66 3fbn h GLU 99 N -3.17 0.00 0.02 0.43 5.08 -1.98 -3.34 114.58 111.61 3fbn h GLU 99 Ca -0.44 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.70 3fbn h GLU 99 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3fbn h GLU 99 CO 0.30 0.17 -1.18 -0.44 -1.00 0.00 0.00 179.01 176.85 3fbn h ASP 100 N 0.00 0.06 0.00 1.42 3.32 -1.94 -3.49 116.42 115.80 3fbn h ASP 100 Ca -0.00 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3fbn h ASP 100 Cb 1.14 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3fbn h ASP 100 CO 0.02 1.47 0.00 0.61 -1.72 0.00 0.00 179.24 179.62 3fbn n GLY 101 N 1.52 0.41 3.69 2.75 0.00 -1.26 -4.63 105.19 107.67 3fbn n GLY 101 Ca -0.29 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.09 3fbn n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fbn n LEU 102 N 0.00 1.22 -4.63 0.99 7.94 -1.26 -4.59 117.00 116.66 3fbn n LEU 102 Ca 0.00 1.16 -0.43 0.00 -1.11 0.00 0.00 56.01 55.63 3fbn n LEU 102 Cb 0.00 -0.95 -0.02 0.00 0.53 0.00 0.00 43.42 42.98 3fbn n LEU 102 CO 0.00 -0.98 1.02 -0.76 -1.11 0.00 0.00 177.39 175.56 3fbn s LEU 103 N 2.39 3.85 0.15 -1.96 1.43 -1.26 -0.11 118.68 123.17 3fbn s LEU 103 Ca 1.00 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 3fbn s LEU 103 Cb -1.35 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.28 3fbn s LEU 103 CO 0.72 -1.02 1.55 -0.08 0.23 0.00 0.00 176.35 177.75 3fbn h GLU 104 N 8.67 -0.21 0.00 1.70 4.81 -1.36 -2.49 114.58 125.70 3fbn h GLU 104 Ca -0.22 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3fbn h GLU 104 Cb 1.07 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3fbn h GLU 104 CO 1.06 -0.14 0.00 0.41 -0.73 0.00 0.00 179.01 179.61 3fbn n GLY 105 N -1.35 -0.04 0.00 1.92 0.00 -1.26 -2.17 105.19 102.29 3fbn n GLY 105 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fbn n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fbn n LEU 106 N -1.03 0.03 -0.37 0.99 4.77 -0.94 -4.75 117.00 115.70 3fbn n LEU 106 Ca 0.00 -0.39 0.33 0.00 -0.03 0.00 0.00 56.01 55.93 3fbn n LEU 106 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.70 3fbn n LEU 106 CO 0.00 0.01 1.12 -2.24 -1.33 0.00 0.00 177.39 174.95 3fbn h ASP 107 N 0.00 0.31 0.42 -1.43 2.03 -1.52 -1.37 116.42 114.86 3fbn h ASP 107 Ca 0.00 0.22 -0.07 0.00 -0.73 0.00 0.00 57.03 56.45 3fbn h ASP 107 Cb 0.02 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 3fbn h ASP 107 CO 0.00 -0.35 -0.34 1.05 -1.03 0.00 0.00 179.24 178.57 3fbn h GLU 108 N 0.04 0.00 -7.37 4.15 4.11 -1.85 -3.46 114.58 110.21 3fbn h GLU 108 Ca 0.84 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.79 3fbn h GLU 108 Cb 2.35 0.00 0.14 0.00 0.50 0.00 0.00 28.75 31.74 3fbn h GLU 108 CO -0.66 0.34 0.28 -0.51 0.07 0.00 0.00 179.01 178.53 3fbn s LEU 109 N -7.97 2.34 0.00 3.06 1.43 -0.52 -5.28 118.68 111.74 3fbn s LEU 109 Ca -0.02 1.40 0.30 0.00 -1.03 0.00 0.00 54.13 54.78 3fbn s LEU 109 Cb 0.14 -3.88 1.56 0.00 0.03 0.00 0.00 46.19 44.04 3fbn s LEU 109 CO 0.70 -2.44 2.03 -2.65 0.23 0.00 0.00 176.35 174.23