#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fuh h LEU 3 N 0.00 0.00 0.02 0.00 3.38 -1.98 -2.31 115.31 114.42 2fuh h LEU 3 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fuh h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fuh h LEU 3 CO 0.00 0.01 -0.01 0.11 0.09 0.00 0.00 178.44 178.64 2fuh h LYS 4 N 0.00 -0.03 -0.01 1.13 6.56 -2.00 -2.89 116.57 119.33 2fuh h LYS 4 Ca -0.00 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2fuh h LYS 4 Cb 0.29 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.92 2fuh h LYS 4 CO 0.00 0.48 -0.18 0.00 -2.06 0.00 0.00 179.45 177.69 2fuh h ARG 5 N -0.98 -0.28 -0.32 3.15 -0.00 -1.96 -2.30 114.38 111.69 2fuh h ARG 5 Ca -0.00 0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.56 2fuh h ARG 5 Cb 0.52 0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.49 2fuh h ARG 5 CO 0.00 -0.19 -0.10 0.82 0.00 0.00 0.00 179.97 180.51 2fuh h ILE 6 N -0.29 0.63 -0.44 2.04 2.04 -1.58 0.18 117.51 120.10 2fuh h ILE 6 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.05 2fuh h ILE 6 Cb 0.37 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2fuh h ILE 6 CO -0.18 0.00 0.45 0.78 0.00 0.00 0.00 178.15 179.20 2fuh h ASN 7 N -0.03 0.00 -0.35 1.72 4.21 -1.23 0.88 115.58 120.77 2fuh h ASN 7 Ca 0.16 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.61 2fuh h ASN 7 Cb 0.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 2fuh h ASN 7 CO -0.35 0.00 -0.02 0.50 -1.29 0.00 0.00 177.43 176.27 2fuh h LYS 8 N 0.00 0.64 0.00 0.81 1.63 -0.10 -2.44 116.57 117.10 2fuh h LYS 8 Ca 0.21 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2fuh h LYS 8 Cb 1.10 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2fuh h LYS 8 CO -0.00 0.77 -0.04 0.93 -3.45 0.00 0.00 179.45 177.65 2fuh h GLU 9 N 0.44 0.00 -0.11 1.90 5.08 -0.72 -1.91 114.58 119.26 2fuh h GLU 9 Ca 0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 2fuh h GLU 9 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2fuh h GLU 9 CO 0.02 0.04 -0.62 1.25 -1.00 0.00 0.00 179.01 178.70 2fuh h LEU 10 N 0.00 0.73 -1.12 1.33 6.46 -1.29 -2.24 115.31 119.18 2fuh h LEU 10 Ca -0.00 -0.65 -0.05 0.00 -0.12 0.00 0.00 57.88 57.06 2fuh h LEU 10 Cb 0.11 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2fuh h LEU 10 CO 0.01 1.27 0.11 0.28 -0.62 0.00 0.00 178.44 179.48 2fuh h SER 11 N 0.25 0.68 0.68 1.25 0.02 -1.02 -2.06 113.55 113.35 2fuh h SER 11 Ca -0.05 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 2fuh h SER 11 Cb 1.27 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2fuh h SER 11 CO 0.13 0.68 -0.58 0.44 -1.14 0.00 0.00 176.83 176.35 2fuh h ASP 12 N 0.71 0.00 -0.08 3.07 3.32 -1.42 -0.65 116.42 121.37 2fuh h ASP 12 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2fuh h ASP 12 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2fuh h ASP 12 CO -0.00 0.58 0.04 -0.07 -1.72 0.00 0.00 179.24 178.07 2fuh h LEU 13 N 0.00 0.10 0.01 1.55 3.38 -0.74 0.88 115.31 120.49 2fuh h LEU 13 Ca -0.01 -0.12 -0.25 0.00 0.09 0.00 0.00 57.88 57.59 2fuh h LEU 13 Cb 1.08 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.83 2fuh h LEU 13 CO 0.08 0.19 -0.99 0.00 0.09 0.00 0.00 178.44 177.80 2fuh h ALA 14 N 0.91 0.11 0.00 1.53 0.00 -1.50 0.55 119.26 120.86 2fuh h ALA 14 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2fuh h ALA 14 Cb 0.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2fuh h ALA 14 CO -0.00 0.63 0.00 -2.13 0.00 0.00 0.00 179.25 177.75 2fuh n ARG 15 N -3.91 0.06 -2.70 0.00 0.63 -0.25 -4.36 116.66 106.14 2fuh n ARG 15 Ca -0.11 0.18 -0.05 0.00 -0.92 0.00 0.00 57.85 56.95 2fuh n ARG 15 Cb 0.86 -1.60 0.05 0.00 0.45 0.00 0.00 32.46 32.22 2fuh n ARG 15 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2fuh n ASP 16 N -1.71 -1.97 -4.74 6.15 2.03 0.30 -5.01 116.55 111.61 2fuh n ASP 16 Ca 0.05 -2.02 -0.42 0.00 0.52 0.00 0.00 54.79 52.92 2fuh n ASP 16 Cb 0.28 1.09 -0.02 0.00 -0.72 0.00 0.00 41.12 41.74 2fuh n ASP 16 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2fuh s PRO 17 N 0.58 4.17 0.17 -0.67 0.02 0.19 -4.31 135.00 135.14 2fuh s PRO 17 Ca 0.27 2.48 -0.34 0.00 0.02 0.00 0.00 61.00 63.44 2fuh s PRO 17 Cb 0.16 -3.07 -0.15 0.00 0.02 0.00 0.00 34.50 31.46 2fuh s PRO 17 CO -0.12 -0.59 1.34 -2.30 -0.33 0.00 0.00 177.00 175.00 2fuh n PRO 18 N 2.75 1.56 -0.01 5.54 -0.02 -1.26 -4.92 135.00 138.63 2fuh n PRO 18 Ca 0.10 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2fuh n PRO 18 Cb 0.38 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 2fuh n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fuh h ALA 19 N 4.33 -0.07 -0.11 3.55 0.00 -1.97 -3.27 119.26 121.72 2fuh h ALA 19 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2fuh h ALA 19 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2fuh h ALA 19 CO 0.77 -0.16 0.00 0.94 0.00 0.00 0.00 179.25 180.80 2fuh n GLN 20 N -4.78 1.34 -0.36 0.00 7.27 -1.26 -4.90 117.38 114.69 2fuh n GLN 20 Ca -0.08 -0.52 0.00 0.00 0.07 0.00 0.00 57.00 56.46 2fuh n GLN 20 Cb 0.32 -1.24 0.00 0.00 2.41 0.00 0.00 30.24 31.73 2fuh n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2fuh s SER 22 N 0.95 -0.07 0.52 0.00 1.04 -1.20 -4.37 113.70 110.56 2fuh s SER 22 Ca 0.00 0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.55 2fuh s SER 22 Cb 0.00 1.06 0.05 0.00 0.10 0.00 0.00 66.02 67.22 2fuh s SER 22 CO 0.00 -0.01 0.60 0.00 0.98 0.00 0.00 173.24 174.81 2fuh s ALA 23 N 2.99 4.52 -0.29 5.32 0.00 -1.26 -2.66 121.76 130.37 2fuh s ALA 23 Ca -0.03 -1.82 -0.22 0.00 0.00 0.00 0.00 51.96 49.89 2fuh s ALA 23 Cb -0.07 -1.24 0.18 0.00 0.00 0.00 0.00 23.12 21.99 2fuh s ALA 23 CO -0.09 -0.57 1.29 0.20 0.00 0.00 0.00 175.76 176.59 2fuh s GLY 24 N -4.44 0.31 0.35 0.00 0.00 -1.24 -5.00 107.32 97.31 2fuh s GLY 24 Ca 0.52 3.44 -0.26 0.00 0.00 0.00 0.00 44.72 48.41 2fuh s GLY 24 CO 0.32 2.19 1.09 2.56 0.00 0.00 0.00 173.10 179.26 2fuh s PRO 25 N 0.42 4.32 0.11 2.90 0.04 -1.26 -2.84 135.00 138.69 2fuh s PRO 25 Ca 0.01 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2fuh s PRO 25 Cb -0.04 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2fuh s PRO 25 CO -0.13 -0.04 -0.14 0.14 0.04 0.00 0.00 177.00 176.87 2fuh s VAL 26 N -1.42 1.24 0.00 -0.36 -7.23 -0.98 -4.93 120.40 106.72 2fuh s VAL 26 Ca 0.52 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2fuh s VAL 26 Cb -0.28 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.23 2fuh s VAL 26 CO 0.35 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2fuh n GLY 27 N 0.66 -0.91 0.29 2.32 0.00 -1.26 -4.26 105.19 102.03 2fuh n GLY 27 Ca -0.16 -1.54 0.15 0.00 0.00 0.00 0.00 46.02 44.46 2fuh n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fuh h ASP 28 N 0.00 0.00 -2.84 1.61 3.58 -1.98 -3.42 116.42 113.36 2fuh h ASP 28 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 2fuh h ASP 28 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2fuh h ASP 28 CO 0.00 0.05 -0.25 -1.81 -2.88 0.00 0.00 179.24 174.34 2fuh s ASP 29 N -6.06 6.36 0.00 2.28 1.01 -1.26 -4.99 116.67 114.01 2fuh s ASP 29 Ca -0.04 0.45 0.17 0.00 0.71 0.00 0.00 52.55 53.84 2fuh s ASP 29 Cb 0.14 -2.03 0.56 0.00 1.01 0.00 0.00 42.92 42.60 2fuh s ASP 29 CO 0.55 -0.17 1.43 0.23 0.21 0.00 0.00 175.17 177.42 2fuh n MET 30 N -1.18 1.84 0.08 8.23 2.81 -1.26 -3.89 117.12 123.74 2fuh n MET 30 Ca -0.05 -1.28 -0.14 0.00 -1.81 0.00 0.00 57.70 54.42 2fuh n MET 30 Cb 0.55 -1.36 -0.14 0.00 -0.71 0.00 0.00 33.22 31.56 2fuh n MET 30 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2fuh h PHE 31 N 2.35 0.36 -3.45 2.03 0.04 -1.90 -3.44 116.94 112.93 2fuh h PHE 31 Ca 0.00 -0.26 -0.60 0.00 2.80 0.00 0.00 57.97 59.91 2fuh h PHE 31 Cb 0.52 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.56 2fuh h PHE 31 CO 0.18 1.23 0.04 -1.01 -0.60 0.00 0.00 178.31 178.15 2fuh s HIS 32 N -2.66 3.36 0.38 -0.55 3.76 -1.25 -2.14 115.29 116.20 2fuh s HIS 32 Ca -0.04 0.84 0.04 0.00 -0.15 0.00 0.00 55.06 55.75 2fuh s HIS 32 Cb 0.08 -2.74 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 2fuh s HIS 32 CO 0.86 -0.15 0.07 -1.58 -0.85 0.00 0.00 174.74 173.09 2fuh s TRP 33 N 1.84 1.95 0.30 1.40 0.52 0.19 -2.32 118.94 122.81 2fuh s TRP 33 Ca 0.26 -1.03 -0.03 0.00 0.02 0.00 0.00 56.10 55.31 2fuh s TRP 33 Cb -0.16 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2fuh s TRP 33 CO 0.10 -0.02 0.39 -1.14 0.02 0.00 0.00 176.95 176.30 2fuh s GLN 34 N -3.82 1.69 0.14 4.98 0.74 -1.13 -0.06 119.66 122.20 2fuh s GLN 34 Ca 0.29 -1.65 -0.13 0.00 0.05 0.00 0.00 55.36 53.91 2fuh s GLN 34 Cb 0.06 0.41 0.02 0.00 1.10 0.00 0.00 33.01 34.59 2fuh s GLN 34 CO 0.14 -0.67 0.36 0.00 -0.55 0.00 0.00 175.29 174.56 2fuh s ALA 35 N -3.50 -0.59 -0.05 1.58 0.00 -1.11 -3.61 121.76 114.47 2fuh s ALA 35 Ca 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 2fuh s ALA 35 Cb 0.01 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.88 2fuh s ALA 35 CO 0.17 -0.65 0.10 0.99 0.00 0.00 0.00 175.76 176.37 2fuh s THR 36 N -3.86 -0.12 -0.01 0.00 2.01 -1.09 -3.82 115.64 108.75 2fuh s THR 36 Ca 0.07 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.40 2fuh s THR 36 Cb 0.02 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.33 2fuh s THR 36 CO -0.08 0.12 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.22 2fuh s ILE 37 N 1.66 1.00 0.12 1.82 1.01 -1.25 -3.24 121.20 122.32 2fuh s ILE 37 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2fuh s ILE 37 Cb -0.12 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2fuh s ILE 37 CO -0.04 0.28 0.15 -0.32 0.00 0.00 0.00 174.94 175.01 2fuh s MET 38 N -0.28 3.03 0.01 2.79 -2.45 -1.26 -2.85 119.30 118.30 2fuh s MET 38 Ca 0.04 -0.73 -0.30 0.00 -1.25 0.00 0.00 55.69 53.46 2fuh s MET 38 Cb -0.05 -2.76 -0.06 0.00 1.25 0.00 0.00 34.83 33.20 2fuh s MET 38 CO -0.00 0.53 1.52 0.20 1.05 0.00 0.00 175.02 178.32 2fuh s GLY 39 N -2.83 1.70 0.00 2.11 0.00 0.06 -4.90 107.32 103.46 2fuh s GLY 39 Ca 0.31 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2fuh s GLY 39 CO 0.24 2.72 0.00 -1.05 0.00 0.00 0.00 173.10 175.01 2fuh n PRO 40 N 5.70 0.00 0.04 2.90 -0.02 -1.26 -4.12 135.00 138.24 2fuh n PRO 40 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2fuh n PRO 40 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2fuh n PRO 40 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fuh n ASN 41 N 0.00 -0.65 0.00 2.55 3.02 -1.26 -4.74 115.26 114.18 2fuh n ASN 41 Ca 0.00 0.16 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 2fuh n ASN 41 Cb 0.00 0.93 0.30 0.00 -0.61 0.00 0.00 39.78 40.40 2fuh n ASN 41 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2fuh n ASP 42 N -2.68 0.00 -4.84 6.41 2.03 -1.26 -4.52 116.55 111.69 2fuh n ASP 42 Ca 0.00 0.22 -0.32 0.00 0.52 0.00 0.00 54.79 55.20 2fuh n ASP 42 Cb 0.00 -0.35 -0.06 0.00 -0.72 0.00 0.00 41.12 40.00 2fuh n ASP 42 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2fuh s SER 43 N -2.69 6.81 0.00 1.67 0.01 -1.26 -4.92 113.70 113.32 2fuh s SER 43 Ca 0.10 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2fuh s SER 43 Cb 0.08 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2fuh s SER 43 CO 0.20 -0.37 1.00 -0.81 0.41 0.00 0.00 173.24 173.68 2fuh n PRO 44 N -0.79 0.55 -1.18 12.44 -0.04 -1.26 -2.94 135.00 141.77 2fuh n PRO 44 Ca 0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2fuh n PRO 44 Cb 0.54 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.78 2fuh n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2fuh n TYR 45 N 1.57 0.00 -1.62 0.54 4.01 -1.26 -4.42 117.16 115.99 2fuh n TYR 45 Ca 0.00 -0.36 -0.55 0.00 -0.16 0.00 0.00 57.90 56.83 2fuh n TYR 45 Cb 0.27 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 2fuh n TYR 45 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2fuh n GLN 46 N 0.32 1.16 -2.62 -0.72 6.02 -1.15 -0.74 117.38 119.65 2fuh n GLN 46 Ca 0.02 0.40 -0.06 0.00 -0.01 0.00 0.00 57.00 57.35 2fuh n GLN 46 Cb 0.99 -2.21 0.02 0.00 1.02 0.00 0.00 30.24 30.06 2fuh n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fuh n GLY 47 N 5.02 0.44 3.37 1.08 0.00 -1.26 -4.99 105.19 108.84 2fuh n GLY 47 Ca 0.32 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2fuh n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fuh s GLY 48 N -3.19 1.79 -0.36 -0.02 0.00 0.09 -4.71 107.32 100.91 2fuh s GLY 48 Ca 0.09 -1.40 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 2fuh s GLY 48 CO 0.19 0.63 0.16 -1.34 0.00 0.00 0.00 173.10 172.75 2fuh s VAL 49 N 1.53 4.21 0.26 1.40 -7.23 -1.25 -0.76 120.40 118.56 2fuh s VAL 49 Ca 0.03 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.27 2fuh s VAL 49 Cb -0.17 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 2fuh s VAL 49 CO 0.03 -0.22 0.26 -0.36 -0.31 0.00 0.00 175.10 174.50 2fuh s PHE 50 N 1.48 3.17 -0.15 2.82 0.40 -1.13 -4.55 117.98 120.03 2fuh s PHE 50 Ca 0.00 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 2fuh s PHE 50 Cb -0.19 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 41.87 2fuh s PHE 50 CO 0.05 0.44 0.09 -0.06 0.70 0.00 0.00 175.22 176.43 2fuh s PHE 51 N -2.12 0.15 0.09 0.36 0.08 -1.26 -3.83 117.98 111.45 2fuh s PHE 51 Ca 0.35 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.29 2fuh s PHE 51 Cb -0.08 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2fuh s PHE 51 CO 0.26 -0.45 -0.14 -0.48 -0.10 0.00 0.00 175.22 174.31 2fuh s LEU 52 N 2.15 2.86 0.28 -0.37 0.05 -1.25 -3.81 118.68 118.60 2fuh s LEU 52 Ca 0.03 -0.44 -0.01 0.00 0.05 0.00 0.00 54.13 53.76 2fuh s LEU 52 Cb -0.15 -1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 42.27 2fuh s LEU 52 CO -0.08 0.20 0.49 -0.89 -0.55 0.00 0.00 176.35 175.52 2fuh s THR 53 N -1.13 5.12 -0.15 5.48 2.01 -1.09 -2.76 115.64 123.13 2fuh s THR 53 Ca 0.19 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2fuh s THR 53 Cb -0.11 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.65 2fuh s THR 53 CO 0.11 -0.38 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.01 2fuh s ILE 54 N -2.11 0.83 -0.16 1.82 1.01 0.92 -3.18 121.20 120.33 2fuh s ILE 54 Ca 0.40 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2fuh s ILE 54 Cb -0.10 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2fuh s ILE 54 CO 0.32 0.10 -0.09 -2.28 0.00 0.00 0.00 174.94 173.00 2fuh s HIS 55 N 1.76 2.90 -0.40 3.97 2.46 -1.23 0.55 115.29 125.29 2fuh s HIS 55 Ca 0.02 -0.62 -0.07 0.00 0.47 0.00 0.00 55.06 54.85 2fuh s HIS 55 Cb -0.15 -1.93 0.08 0.00 -0.13 0.00 0.00 32.58 30.45 2fuh s HIS 55 CO -0.07 -0.24 0.22 -0.06 -2.47 0.00 0.00 174.74 172.12 2fuh s PHE 56 N 0.60 3.37 1.13 3.88 0.08 -0.91 -2.22 117.98 123.91 2fuh s PHE 56 Ca -0.05 -1.70 -0.15 0.00 0.12 0.00 0.00 56.93 55.15 2fuh s PHE 56 Cb -0.15 -2.89 0.20 0.00 -0.57 0.00 0.00 43.02 39.61 2fuh s PHE 56 CO 0.03 -0.86 0.63 -2.30 -0.10 0.00 0.00 175.22 172.62 2fuh n PRO 57 N 4.83 -1.89 -0.33 0.24 -0.02 -1.26 -4.79 135.00 131.78 2fuh n PRO 57 Ca -0.09 -0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 60.83 2fuh n PRO 57 Cb 0.43 -2.00 0.09 0.00 -0.02 0.00 0.00 33.50 32.00 2fuh n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fuh h THR 58 N -2.35 1.24 -0.25 3.45 1.03 -1.99 -0.41 112.91 113.64 2fuh h THR 58 Ca -0.56 -0.50 -0.06 0.00 -0.01 0.00 0.00 66.41 65.27 2fuh h THR 58 Cb 1.33 -0.03 -0.04 0.00 -1.07 0.00 0.00 68.15 68.35 2fuh h THR 58 CO 0.44 0.25 0.08 0.47 -0.01 0.00 0.00 175.52 176.74 2fuh n ASP 59 N -4.42 2.84 -0.22 0.00 8.00 -1.26 -4.32 116.55 117.16 2fuh n ASP 59 Ca 0.10 -2.40 0.02 0.00 0.71 0.00 0.00 54.79 53.21 2fuh n ASP 59 Cb 0.04 -0.58 0.25 0.00 -0.02 0.00 0.00 41.12 40.82 2fuh n ASP 59 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2fuh h TYR 60 N 0.99 0.94 0.00 1.24 3.20 -1.25 0.35 116.97 122.44 2fuh h TYR 60 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2fuh h TYR 60 Cb 1.23 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2fuh h TYR 60 CO 0.43 0.57 0.06 -2.30 -1.64 0.00 0.00 178.16 175.29 2fuh n PRO 61 N -4.43 0.05 0.00 1.82 -0.02 -1.26 -3.22 135.00 127.93 2fuh n PRO 61 Ca 0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2fuh n PRO 61 Cb 0.07 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2fuh n PRO 61 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2fuh n PHE 62 N -1.72 0.00 -3.42 6.00 3.01 -0.63 -4.56 117.46 116.14 2fuh n PHE 62 Ca -0.00 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.11 2fuh n PHE 62 Cb 0.07 0.08 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 2fuh n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2fuh s LYS 63 N -1.98 3.89 1.09 -1.08 -0.14 0.11 -4.95 119.74 116.68 2fuh s LYS 63 Ca 0.00 0.37 -0.16 0.00 -1.36 0.00 0.00 55.97 54.82 2fuh s LYS 63 Cb 0.00 -2.87 0.12 0.00 -1.68 0.00 0.00 37.83 33.40 2fuh s LYS 63 CO 0.00 0.45 0.24 -2.30 -0.76 0.00 0.00 175.35 172.98 2fuh n PRO 64 N 0.57 -1.42 -2.19 -1.68 -0.02 -1.26 -4.31 135.00 124.70 2fuh n PRO 64 Ca -0.04 -0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 60.79 2fuh n PRO 64 Cb 0.52 -1.81 0.09 0.00 -0.02 0.00 0.00 33.50 32.29 2fuh n PRO 64 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fuh s PRO 65 N -3.63 1.88 -0.78 0.52 0.04 -1.26 -4.84 135.00 126.93 2fuh s PRO 65 Ca 0.58 -0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.27 2fuh s PRO 65 Cb -0.16 -2.13 0.19 0.00 0.04 0.00 0.00 34.50 32.45 2fuh s PRO 65 CO 0.66 -1.46 0.62 0.21 0.04 0.00 0.00 177.00 177.06 2fuh s LYS 66 N -5.35 2.85 0.37 4.56 2.20 -0.94 -5.04 119.74 118.38 2fuh s LYS 66 Ca 0.63 -3.17 -0.21 0.00 -0.36 0.00 0.00 55.97 52.85 2fuh s LYS 66 Cb -0.09 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.41 2fuh s LYS 66 CO 0.46 -1.25 0.90 0.08 -0.36 0.00 0.00 175.35 175.18 2fuh s VAL 67 N -1.17 4.40 -0.13 4.02 1.01 -1.26 -3.53 120.40 123.75 2fuh s VAL 67 Ca 0.25 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 2fuh s VAL 67 Cb -0.09 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.62 2fuh s VAL 67 CO -0.12 -0.14 0.28 0.00 0.00 0.00 0.00 175.10 175.12 2fuh s ALA 68 N -1.95 -0.64 -0.33 5.51 0.00 -1.19 -4.27 121.76 118.89 2fuh s ALA 68 Ca 0.56 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 53.34 2fuh s ALA 68 Cb -0.12 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2fuh s ALA 68 CO 0.17 -0.40 0.81 0.12 0.00 0.00 0.00 175.76 176.46 2fuh s PHE 69 N 1.79 3.15 -0.10 0.00 5.36 0.98 -2.68 117.98 126.49 2fuh s PHE 69 Ca -0.05 0.73 -0.26 0.00 -0.96 0.00 0.00 56.93 56.38 2fuh s PHE 69 Cb -0.11 -3.35 -0.27 0.00 -0.34 0.00 0.00 43.02 38.95 2fuh s PHE 69 CO -0.09 -0.66 0.85 1.79 -1.46 0.00 0.00 175.22 175.65 2fuh h THR 70 N 5.68 1.68 -1.51 0.12 1.35 -1.89 -3.35 112.91 115.00 2fuh h THR 70 Ca -0.24 -2.31 -0.40 0.00 -0.55 0.00 0.00 66.41 62.90 2fuh h THR 70 Cb 1.09 3.23 -0.01 0.00 -1.73 0.00 0.00 68.15 70.72 2fuh h THR 70 CO 0.91 0.62 1.25 -0.89 -0.25 0.00 0.00 175.52 177.16 2fuh s THR 71 N -2.46 3.18 -0.32 6.82 2.01 -1.26 -4.87 115.64 118.75 2fuh s THR 71 Ca -0.17 0.04 -0.37 0.00 0.31 0.00 0.00 61.69 61.50 2fuh s THR 71 Cb -0.01 -3.46 -0.13 0.00 0.01 0.00 0.00 72.50 68.91 2fuh s THR 71 CO 0.74 -0.44 2.06 0.54 -0.69 0.00 0.00 174.62 176.83 2fuh n ARG 72 N 9.04 1.11 -4.15 4.92 1.74 -1.26 -4.92 116.66 123.13 2fuh n ARG 72 Ca 0.32 0.34 -0.20 0.00 -0.77 0.00 0.00 57.85 57.54 2fuh n ARG 72 Cb 0.52 -2.33 -0.16 0.00 -1.02 0.00 0.00 32.46 29.47 2fuh n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2fuh s ILE 73 N 6.12 0.56 -0.73 0.55 2.07 -1.26 -4.94 121.20 123.57 2fuh s ILE 73 Ca 1.06 -0.12 -0.26 0.00 -1.41 0.00 0.00 60.65 59.92 2fuh s ILE 73 Cb -0.94 -0.59 -0.05 0.00 0.13 0.00 0.00 42.46 41.01 2fuh s ILE 73 CO 0.54 0.23 2.05 -0.47 -1.91 0.00 0.00 174.94 175.38 2fuh s TYR 74 N 0.98 1.56 -0.13 3.50 5.04 -1.26 -4.88 117.35 122.15 2fuh s TYR 74 Ca -0.10 1.01 -0.04 0.00 -2.44 0.00 0.00 57.07 55.50 2fuh s TYR 74 Cb -0.14 -3.91 0.07 0.00 0.35 0.00 0.00 41.96 38.33 2fuh s TYR 74 CO -0.00 -2.03 0.22 -1.58 -1.34 0.00 0.00 175.55 170.82 2fuh s HIS 75 N 10.71 -0.31 0.25 4.97 2.46 -1.26 -4.90 115.29 127.21 2fuh s HIS 75 Ca 0.76 0.67 -0.13 0.00 0.47 0.00 0.00 55.06 56.84 2fuh s HIS 75 Cb -0.11 -0.19 0.34 0.00 -0.13 0.00 0.00 32.58 32.49 2fuh s HIS 75 CO 0.12 -0.39 1.57 -1.35 -2.47 0.00 0.00 174.74 172.22 2fuh h PRO 76 N 8.32 -0.02 0.00 2.88 0.11 -1.89 1.48 132.00 142.88 2fuh h PRO 76 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2fuh h PRO 76 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fuh h PRO 76 CO 0.17 -0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.22 2fuh n ASN 77 N -5.54 0.00 -3.71 -2.05 0.23 -1.26 -3.87 115.26 99.05 2fuh n ASN 77 Ca 0.12 -0.34 -0.12 0.00 -0.53 0.00 0.00 54.58 53.72 2fuh n ASN 77 Cb 0.44 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.01 2fuh n ASN 77 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2fuh s ILE 78 N -2.00 -0.07 0.00 1.53 1.01 0.51 -2.30 121.20 119.87 2fuh s ILE 78 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2fuh s ILE 78 Cb 0.01 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2fuh s ILE 78 CO 0.02 0.06 0.00 -0.46 0.00 0.00 0.00 174.94 174.56 2fuh n ASN 79 N 4.33 0.00 0.00 3.58 2.04 -1.25 -4.07 115.26 119.90 2fuh n ASN 79 Ca -0.23 -0.42 0.12 0.00 -0.44 0.00 0.00 54.58 53.61 2fuh n ASN 79 Cb 0.53 0.00 0.59 0.00 -2.53 0.00 0.00 39.78 38.37 2fuh n ASN 79 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2fuh n SER 80 N -1.26 0.00 0.06 0.53 7.64 -1.26 -2.57 113.62 116.76 2fuh n SER 80 Ca 0.00 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.16 2fuh n SER 80 Cb 0.00 -0.37 0.09 0.00 -1.01 0.00 0.00 64.21 62.92 2fuh n SER 80 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2fuh n ASN 81 N -1.37 0.71 0.00 6.43 3.02 -1.26 -4.94 115.26 117.84 2fuh n ASN 81 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2fuh n ASN 81 Cb 0.24 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2fuh n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fuh n GLY 82 N 1.31 1.08 3.65 7.41 0.00 -1.06 -4.52 105.19 113.05 2fuh n GLY 82 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 2fuh n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fuh n SER 83 N 0.00 3.28 -4.52 1.61 7.64 -1.26 -0.01 113.62 120.36 2fuh n SER 83 Ca 0.00 0.85 -0.36 0.00 1.01 0.00 0.00 58.87 60.37 2fuh n SER 83 Cb 0.00 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 61.71 2fuh n SER 83 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2fuh s ILE 84 N 4.80 4.56 -0.38 0.44 1.09 -1.26 -3.74 121.20 126.70 2fuh s ILE 84 Ca 0.95 -0.10 -0.19 0.00 -1.10 0.00 0.00 60.65 60.22 2fuh s ILE 84 Cb -0.69 -3.11 0.01 0.00 -1.06 0.00 0.00 42.46 37.61 2fuh s ILE 84 CO 0.50 0.37 0.53 0.00 -0.10 0.00 0.00 174.94 176.24 2fuh s LEU 86 N 2.45 2.30 -0.01 0.00 1.43 -1.26 -4.97 118.68 118.62 2fuh s LEU 86 Ca 0.18 -1.57 -0.25 0.00 -1.03 0.00 0.00 54.13 51.47 2fuh s LEU 86 Cb -0.15 -0.54 -0.18 0.00 0.03 0.00 0.00 46.19 45.34 2fuh s LEU 86 CO 0.15 -0.77 1.19 -0.78 0.23 0.00 0.00 176.35 176.37 2fuh h ASP 87 N 1.65 -0.15 0.03 2.29 1.82 -1.96 -3.20 116.42 116.90 2fuh h ASP 87 Ca -0.41 -0.35 -0.05 0.00 -0.39 0.00 0.00 57.03 55.84 2fuh h ASP 87 Cb 1.28 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 2fuh h ASP 87 CO 0.70 0.30 -0.12 0.16 -1.61 0.00 0.00 179.24 178.67 2fuh h ILE 88 N -0.63 1.17 0.00 2.25 -2.65 -1.98 -2.80 117.51 112.87 2fuh h ILE 88 Ca -0.02 -0.74 0.00 0.00 1.03 0.00 0.00 64.86 65.13 2fuh h ILE 88 Cb 0.48 1.20 0.00 0.00 -2.05 0.00 0.00 36.82 36.46 2fuh h ILE 88 CO 0.03 0.23 0.00 -0.11 0.03 0.00 0.00 178.15 178.33 2fuh n LEU 89 N -4.29 3.03 0.00 0.16 0.00 -1.21 -3.24 117.00 111.46 2fuh n LEU 89 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 56.01 54.60 2fuh n LEU 89 Cb 0.26 -0.60 0.00 0.00 0.00 0.00 0.00 43.42 43.07 2fuh n LEU 89 CO 0.38 0.55 0.00 0.54 0.00 0.00 0.00 177.39 178.86 2fuh n ARG 90 N 1.27 0.00 0.02 1.96 1.74 -1.06 -4.71 116.66 115.87 2fuh n ARG 90 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2fuh n ARG 90 Cb 0.34 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.65 2fuh n ARG 90 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2fuh h SER 91 N 0.00 0.00 0.00 0.55 4.64 -1.80 -3.31 113.55 113.63 2fuh h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fuh h SER 91 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2fuh h SER 91 CO 0.00 0.98 0.00 1.67 -0.87 0.00 0.00 176.83 178.61 2fuh n GLN 92 N -3.17 0.76 -2.92 4.77 0.00 -1.23 -4.83 117.38 110.77 2fuh n GLN 92 Ca -0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.61 2fuh n GLN 92 Cb 1.00 -1.14 -0.02 0.00 0.00 0.00 0.00 30.24 30.07 2fuh n GLN 92 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 2fuh s TRP 93 N 0.14 3.49 -0.29 3.69 -0.11 -1.20 -4.38 118.94 120.29 2fuh s TRP 93 Ca 0.00 0.90 -0.22 0.00 1.22 0.00 0.00 56.10 58.00 2fuh s TRP 93 Cb 0.00 -2.33 0.13 0.00 -1.50 0.00 0.00 33.47 29.77 2fuh s TRP 93 CO 0.00 -0.08 1.02 -1.12 -4.62 0.00 0.00 176.95 172.15 2fuh s SER 94 N -3.38 -0.46 0.00 5.86 0.01 -1.26 -5.01 113.70 109.46 2fuh s SER 94 Ca 0.49 0.83 0.11 0.00 1.31 0.00 0.00 55.95 58.69 2fuh s SER 94 Cb -0.10 0.96 0.67 0.00 0.21 0.00 0.00 66.02 67.76 2fuh s SER 94 CO 0.34 -0.14 1.09 -0.81 0.41 0.00 0.00 173.24 174.13 2fuh n PRO 95 N 2.71 0.44 -0.05 12.44 -0.04 -1.26 -2.37 135.00 146.88 2fuh n PRO 95 Ca -0.14 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 2fuh n PRO 95 Cb 0.57 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 2fuh n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fuh n ALA 96 N -0.90 1.24 -1.41 0.55 0.00 -1.26 -4.96 120.51 113.77 2fuh n ALA 96 Ca 0.08 -0.86 -0.37 0.00 0.00 0.00 0.00 53.44 52.30 2fuh n ALA 96 Cb 0.04 -0.50 0.07 0.00 0.00 0.00 0.00 19.45 19.05 2fuh n ALA 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2fuh n LEU 97 N -3.23 2.52 -4.89 0.00 -0.00 -1.00 -5.01 117.00 105.38 2fuh n LEU 97 Ca -0.32 0.69 -0.23 0.00 -0.00 0.00 0.00 56.01 56.14 2fuh n LEU 97 Cb 1.05 -1.32 -0.02 0.00 -0.00 0.00 0.00 43.42 43.13 2fuh n LEU 97 CO 0.39 -2.41 0.04 0.42 -0.00 0.00 0.00 177.39 175.83 2fuh s THR 98 N -1.75 2.22 -0.27 1.47 -4.23 -1.26 -5.02 115.64 106.79 2fuh s THR 98 Ca 0.72 -1.38 0.22 0.00 -1.18 0.00 0.00 61.69 60.06 2fuh s THR 98 Cb -0.37 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 70.93 2fuh s THR 98 CO 0.52 0.00 1.17 0.40 -0.54 0.00 0.00 174.62 176.16 2fuh h ILE 99 N 0.86 0.07 -0.23 2.99 1.08 -1.95 -3.32 117.51 117.02 2fuh h ILE 99 Ca -0.39 -1.13 0.03 0.00 -0.39 0.00 0.00 64.86 62.98 2fuh h ILE 99 Cb 1.28 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 2fuh h ILE 99 CO 0.56 0.04 0.06 0.28 -0.69 0.00 0.00 178.15 178.41 2fuh h SER 100 N 0.00 0.05 0.01 1.72 0.02 -1.96 -2.38 113.55 111.01 2fuh h SER 100 Ca -0.01 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2fuh h SER 100 Cb 1.07 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2fuh h SER 100 CO 0.01 0.06 -0.35 0.07 -1.14 0.00 0.00 176.83 175.48 2fuh h LYS 101 N 0.16 0.47 -0.85 3.45 2.10 -2.01 -2.89 116.57 117.00 2fuh h LYS 101 Ca 0.10 -0.21 0.20 0.00 -2.00 0.00 0.00 60.65 58.73 2fuh h LYS 101 Cb 0.08 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.35 2fuh h LYS 101 CO -0.12 0.76 0.57 0.28 -2.00 0.00 0.00 179.45 178.94 2fuh h VAL 102 N 0.40 0.69 -0.71 0.07 2.07 -1.53 0.18 116.25 117.42 2fuh h VAL 102 Ca 0.04 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2fuh h VAL 102 Cb 0.80 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2fuh h VAL 102 CO 0.07 0.06 0.41 -0.07 0.02 0.00 0.00 177.57 178.05 2fuh h LEU 103 N 0.34 0.86 -0.83 2.57 3.38 -1.33 -2.23 115.31 118.07 2fuh h LEU 103 Ca 0.43 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 2fuh h LEU 103 Cb 1.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2fuh h LEU 103 CO -0.14 0.69 -0.22 -0.07 0.09 0.00 0.00 178.44 178.80 2fuh h LEU 104 N 0.97 0.64 -0.64 1.67 3.38 -0.79 -2.72 115.31 117.81 2fuh h LEU 104 Ca 0.25 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2fuh h LEU 104 Cb 0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.49 2fuh h LEU 104 CO -0.04 0.85 0.19 0.28 0.09 0.00 0.00 178.44 179.80 2fuh h SER 105 N 0.56 0.11 -0.36 -0.43 0.02 -0.70 0.48 113.55 113.22 2fuh h SER 105 Ca 0.08 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2fuh h SER 105 Cb 0.68 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2fuh h SER 105 CO 0.05 0.06 -0.14 0.40 -1.14 0.00 0.00 176.83 176.05 2fuh h ILE 106 N 0.33 1.28 0.04 3.27 2.04 -1.35 -2.64 117.51 120.48 2fuh h ILE 106 Ca 0.34 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 2fuh h ILE 106 Cb 0.49 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2fuh h ILE 106 CO -0.38 0.41 -0.02 0.00 0.00 0.00 0.00 178.15 178.15 2fuh h SER 108 N -0.06 0.14 0.16 0.00 0.87 -0.08 0.71 113.55 115.28 2fuh h SER 108 Ca -0.00 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2fuh h SER 108 Cb 0.05 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2fuh h SER 108 CO 0.00 0.06 -0.08 0.25 -0.53 0.00 0.00 176.83 176.54 2fuh h LEU 109 N 0.35 -0.19 -2.05 2.23 7.12 -1.09 -2.34 115.31 119.35 2fuh h LEU 109 Ca 0.35 -0.16 0.10 0.00 0.13 0.00 0.00 57.88 58.31 2fuh h LEU 109 Cb 0.52 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 2fuh h LEU 109 CO -0.39 0.05 0.37 0.25 -0.13 0.00 0.00 178.44 178.59 2fuh h LEU 110 N -0.42 0.00 -0.31 2.25 5.85 -0.06 0.47 115.31 123.10 2fuh h LEU 110 Ca -0.02 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2fuh h LEU 110 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2fuh h LEU 110 CO 0.04 0.00 -0.20 0.00 -0.34 0.00 0.00 178.44 177.93 2fuh s ASP 112 N -6.44 -0.23 0.37 0.00 1.01 0.16 -5.02 116.67 106.52 2fuh s ASP 112 Ca -0.13 0.51 0.00 0.00 0.71 0.00 0.00 52.55 53.64 2fuh s ASP 112 Cb 0.09 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.41 2fuh s ASP 112 CO 0.82 -0.17 0.00 -0.81 0.21 0.00 0.00 175.17 175.22 2fuh n PRO 113 N 4.27 0.50 -3.54 8.23 -0.04 -1.24 -4.57 135.00 138.61 2fuh n PRO 113 Ca -0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2fuh n PRO 113 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 2fuh n PRO 113 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2fuh s ASN 114 N -1.18 -1.08 0.00 3.54 3.84 -1.26 -5.10 114.94 113.70 2fuh s ASN 114 Ca 0.00 1.35 0.00 0.00 0.21 0.00 0.00 52.86 54.42 2fuh s ASN 114 Cb 0.00 2.17 0.00 0.00 -0.55 0.00 0.00 41.25 42.87 2fuh s ASN 114 CO 0.00 -0.21 0.00 -2.65 -2.79 0.00 0.00 177.10 171.45 2fuh n PRO 115 N 5.38 0.00 0.00 0.43 -0.02 -1.26 -4.84 135.00 134.69 2fuh n PRO 115 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2fuh n PRO 115 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2fuh n PRO 115 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fuh n ASP 116 N 0.00 -0.76 -3.27 2.55 9.92 -1.26 -4.34 116.55 119.39 2fuh n ASP 116 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 2fuh n ASP 116 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 2fuh n ASP 116 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2fuh n ASP 117 N -3.01 0.97 -3.90 -2.24 9.92 -1.26 -4.95 116.55 112.08 2fuh n ASP 117 Ca 0.00 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 2fuh n ASP 117 Cb 0.00 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 2fuh n ASP 117 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2fuh n PRO 118 N 1.41 1.94 0.28 -0.24 -0.02 -1.26 -4.79 135.00 132.33 2fuh n PRO 118 Ca 0.24 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 2fuh n PRO 118 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.88 2fuh n PRO 118 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2fuh h LEU 119 N 0.00 -1.30 -7.26 2.45 3.38 -1.91 -3.34 115.31 107.33 2fuh h LEU 119 Ca 0.00 0.11 -0.65 0.00 0.09 0.00 0.00 57.88 57.43 2fuh h LEU 119 Cb 0.00 0.43 -0.40 0.00 0.09 0.00 0.00 40.66 40.78 2fuh h LEU 119 CO 0.00 -0.63 -0.50 -0.69 0.09 0.00 0.00 178.44 176.70 2fuh s VAL 120 N -5.90 3.09 0.64 1.22 1.01 -1.25 -4.94 120.40 114.27 2fuh s VAL 120 Ca -0.18 -3.80 0.23 0.00 0.00 0.00 0.00 61.98 58.23 2fuh s VAL 120 Cb 0.05 -3.04 0.23 0.00 0.00 0.00 0.00 36.38 33.62 2fuh s VAL 120 CO 0.61 -0.94 1.71 -0.65 0.00 0.00 0.00 175.10 175.83 2fuh h PRO 121 N 5.98 0.00 0.19 2.72 0.11 -1.87 -1.35 132.00 137.79 2fuh h PRO 121 Ca 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2fuh h PRO 121 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2fuh h PRO 121 CO 0.73 0.00 -0.09 1.49 -0.21 0.00 0.00 178.00 179.92 2fuh h GLU 122 N 0.00 -0.25 -0.88 1.05 4.81 -1.95 0.14 114.58 117.50 2fuh h GLU 122 Ca 0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2fuh h GLU 122 Cb 0.93 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 2fuh h GLU 122 CO 0.00 -0.09 0.55 0.82 -0.73 0.00 0.00 179.01 179.56 2fuh h ILE 123 N -0.35 1.06 -0.35 2.32 2.04 -1.65 -1.33 117.51 119.25 2fuh h ILE 123 Ca -0.03 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 2fuh h ILE 123 Cb 0.27 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 2fuh h ILE 123 CO 0.04 0.19 -0.19 0.00 0.00 0.00 0.00 178.15 178.19 2fuh h ALA 124 N 1.41 1.03 -0.64 1.87 0.00 -1.54 -2.59 119.26 118.80 2fuh h ALA 124 Ca 0.38 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2fuh h ALA 124 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2fuh h ALA 124 CO -0.17 0.58 0.43 -0.09 0.00 0.00 0.00 179.25 180.01 2fuh h ARG 125 N 0.57 0.45 -0.03 0.00 2.43 0.45 0.12 114.38 118.38 2fuh h ARG 125 Ca 0.09 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2fuh h ARG 125 Cb 0.64 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2fuh h ARG 125 CO 0.05 0.30 -0.23 0.82 -1.51 0.00 0.00 179.97 179.39 2fuh h ILE 126 N 0.47 1.48 -0.07 1.20 2.04 -1.22 -3.19 117.51 118.21 2fuh h ILE 126 Ca 0.30 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.39 2fuh h ILE 126 Cb 0.54 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2fuh h ILE 126 CO -0.09 0.49 0.05 0.22 0.00 0.00 0.00 178.15 178.81 2fuh h TYR 127 N -0.37 0.09 0.00 1.37 5.03 -1.07 0.36 116.97 122.38 2fuh h TYR 127 Ca -0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2fuh h TYR 127 Cb 0.92 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 2fuh h TYR 127 CO 0.15 0.06 -0.10 -0.22 -1.32 0.00 0.00 178.16 176.73 2fuh h LYS 128 N 0.10 -0.12 0.00 1.82 1.63 -0.77 -3.40 116.57 115.82 2fuh h LYS 128 Ca 0.03 0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.63 2fuh h LYS 128 Cb -0.00 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 2fuh h LYS 128 CO -0.01 -0.08 -1.75 -2.37 -3.45 0.00 0.00 179.45 171.79 2fuh n THR 129 N -3.06 0.75 -2.39 1.00 5.66 -1.20 -4.82 114.28 110.23 2fuh n THR 129 Ca -0.01 -0.27 -0.37 0.00 -3.05 0.00 0.00 64.05 60.35 2fuh n THR 129 Cb 0.08 -1.13 -0.02 0.00 -1.55 0.00 0.00 70.33 67.70 2fuh n THR 129 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2fuh s ASP 130 N -5.49 6.16 -0.05 1.09 1.11 0.12 -4.63 116.67 114.98 2fuh s ASP 130 Ca -0.18 -2.02 0.08 0.00 0.18 0.00 0.00 52.55 50.61 2fuh s ASP 130 Cb 0.05 -2.58 -0.24 0.00 1.07 0.00 0.00 42.92 41.22 2fuh s ASP 130 CO 0.29 -1.87 0.62 0.03 1.18 0.00 0.00 175.17 175.41 2fuh h ARG 131 N 8.63 0.06 -0.32 8.23 2.47 -1.79 -3.19 114.38 128.48 2fuh h ARG 131 Ca 0.34 -0.10 0.05 0.00 -1.26 0.00 0.00 59.98 59.01 2fuh h ARG 131 Cb 0.91 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.22 2fuh h ARG 131 CO 1.37 0.66 0.01 -0.44 0.56 0.00 0.00 179.97 182.13 2fuh h ASP 132 N 0.02 -0.11 -0.02 7.04 3.32 -1.92 -0.74 116.42 124.00 2fuh h ASP 132 Ca -0.31 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2fuh h ASP 132 Cb 2.02 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.68 2fuh h ASP 132 CO 0.08 -0.02 -0.02 0.50 -1.72 0.00 0.00 179.24 178.06 2fuh h LYS 133 N 0.10 0.05 -1.17 3.56 3.64 -1.95 -3.00 116.57 117.81 2fuh h LYS 133 Ca 0.15 -0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.84 2fuh h LYS 133 Cb 0.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 2fuh h LYS 133 CO -0.25 0.55 0.82 -0.92 -2.27 0.00 0.00 179.45 177.39 2fuh h TYR 134 N -0.45 0.13 -0.06 1.91 5.03 -1.48 1.07 116.97 123.11 2fuh h TYR 134 Ca 0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.17 2fuh h TYR 134 Cb 0.55 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 2fuh h TYR 134 CO 0.10 0.00 -0.61 -0.97 -1.32 0.00 0.00 178.16 175.37 2fuh h ASN 135 N 0.07 0.25 0.01 -2.11 -0.73 -0.99 -2.01 115.58 110.06 2fuh h ASN 135 Ca 0.58 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.60 2fuh h ASN 135 Cb 2.15 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 40.67 2fuh h ASN 135 CO -0.07 0.80 -0.00 -0.09 -0.37 0.00 0.00 177.43 177.70 2fuh h ARG 136 N 0.16 -0.01 0.47 6.67 2.43 0.12 -2.16 114.38 122.07 2fuh h ARG 136 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2fuh h ARG 136 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2fuh h ARG 136 CO 0.09 0.48 -0.23 0.82 -1.51 0.00 0.00 179.97 179.62 2fuh h ILE 137 N -0.49 0.53 -0.93 1.20 5.03 -1.41 0.26 117.51 121.69 2fuh h ILE 137 Ca -0.00 -0.12 0.16 0.00 -0.12 0.00 0.00 64.86 64.77 2fuh h ILE 137 Cb 0.49 0.59 -0.10 0.00 -3.03 0.00 0.00 36.82 34.77 2fuh h ILE 137 CO 0.00 0.02 0.54 0.28 -0.68 0.00 0.00 178.15 178.31 2fuh h SER 138 N -0.71 0.70 1.19 1.72 0.02 -1.46 0.90 113.55 115.91 2fuh h SER 138 Ca -0.07 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2fuh h SER 138 Cb 0.52 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2fuh h SER 138 CO 0.11 0.30 -0.57 -0.09 -1.14 0.00 0.00 176.83 175.44 2fuh h ARG 139 N 0.75 0.00 0.00 3.45 2.43 -1.18 -3.11 114.38 116.72 2fuh h ARG 139 Ca 0.51 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.68 2fuh h ARG 139 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2fuh h ARG 139 CO -0.35 0.57 -0.00 0.93 -1.51 0.00 0.00 179.97 179.61 2fuh h GLU 140 N 0.00 -0.00 0.00 0.20 3.07 0.16 -3.08 114.58 114.92 2fuh h GLU 140 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2fuh h GLU 140 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 2fuh h GLU 140 CO 0.07 0.67 0.00 0.91 -1.40 0.00 0.00 179.01 179.26 2fuh n TRP 141 N -4.77 0.00 0.01 4.33 7.02 0.10 -3.18 117.44 120.95 2fuh n TRP 141 Ca -0.09 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.37 2fuh n TRP 141 Cb 0.33 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.21 2fuh n TRP 141 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 2fuh h THR 142 N 0.00 0.00 -0.07 -0.99 2.02 -1.46 -3.29 112.91 109.12 2fuh h THR 142 Ca 0.00 -0.88 -0.11 0.00 0.77 0.00 0.00 66.41 66.19 2fuh h THR 142 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2fuh h THR 142 CO 0.00 0.00 -0.46 1.56 0.37 0.00 0.00 175.52 176.99 2fuh h GLN 143 N -1.01 0.17 -0.35 6.66 4.20 -1.67 0.47 115.11 123.58 2fuh h GLN 143 Ca -0.01 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.68 2fuh h GLN 143 Cb 0.10 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.82 2fuh h GLN 143 CO 0.02 0.60 -0.10 0.87 -0.67 0.00 0.00 178.83 179.55 2fuh h LYS 144 N 0.14 -0.02 0.00 1.46 1.57 -1.70 -3.40 116.57 114.61 2fuh h LYS 144 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2fuh h LYS 144 Cb 0.87 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2fuh h LYS 144 CO 0.07 -0.01 -0.34 0.66 -0.57 0.00 0.00 179.45 179.25 2fuh n TYR 145 N -5.30 0.00 -0.33 -1.35 4.01 -1.22 -4.83 117.16 108.14 2fuh n TYR 145 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 2fuh n TYR 145 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 2fuh n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fuh n ALA 146 N -1.27 3.02 -1.34 -0.72 0.00 0.16 -4.91 120.51 115.46 2fuh n ALA 146 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2fuh n ALA 146 Cb 0.17 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2fuh n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17