#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 0.30 0.08 0.00 6.46 -1.99 0.64 115.31 120.81 2fuh h LEU 3 Ca 0.00 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2fuh h LEU 3 Cb 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2fuh h LEU 3 CO 0.00 0.08 -0.04 0.11 -0.62 0.00 0.00 178.44 177.97 2fuh h LYS 4 N 0.28 -0.11 0.04 1.25 1.57 -1.99 -2.81 116.57 114.80 2fuh h LYS 4 Ca 0.53 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2fuh h LYS 4 Cb 1.57 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.90 2fuh h LYS 4 CO -0.18 0.43 -0.02 0.00 -0.57 0.00 0.00 179.45 179.12 2fuh h ARG 5 N -0.85 -0.05 -0.98 3.15 3.08 -1.71 -2.59 114.38 114.43 2fuh h ARG 5 Ca -0.01 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.20 2fuh h ARG 5 Cb 0.59 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.56 2fuh h ARG 5 CO 0.02 0.04 0.61 0.82 -1.07 0.00 0.00 179.97 180.39 2fuh h ILE 6 N -0.12 0.80 0.00 2.04 2.04 0.10 0.36 117.51 122.73 2fuh h ILE 6 Ca -0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2fuh h ILE 6 Cb 0.10 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2fuh h ILE 6 CO 0.01 0.15 -0.06 -1.13 0.00 0.00 0.00 178.15 177.11 2fuh h ASN 7 N 0.80 0.00 -0.13 1.72 -0.73 -1.19 -2.00 115.58 114.05 2fuh h ASN 7 Ca 0.52 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.58 2fuh h ASN 7 Cb 0.75 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 2fuh h ASN 7 CO -0.29 0.06 -0.24 0.50 -0.37 0.00 0.00 177.43 177.09 2fuh h LYS 8 N 0.00 0.58 0.00 6.67 3.11 -0.09 -2.45 116.57 124.39 2fuh h LYS 8 Ca -0.00 -0.23 -0.05 0.00 -2.81 0.00 0.00 60.65 57.57 2fuh h LYS 8 Cb 0.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2fuh h LYS 8 CO 0.01 0.78 -0.21 1.49 -2.81 0.00 0.00 179.45 178.70 2fuh h GLU 9 N 0.51 0.00 -0.13 1.90 4.57 -1.35 -2.82 114.58 117.26 2fuh h GLU 9 Ca 0.07 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 2fuh h GLU 9 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2fuh h GLU 9 CO 0.05 0.21 -0.54 1.25 -1.18 0.00 0.00 179.01 178.81 2fuh h LEU 10 N 0.00 0.41 -1.46 1.64 6.46 -1.41 -2.40 115.31 118.55 2fuh h LEU 10 Ca -0.00 -0.21 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2fuh h LEU 10 Cb 0.71 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 2fuh h LEU 10 CO 0.03 0.87 0.37 -1.28 -0.62 0.00 0.00 178.44 177.80 2fuh h SER 11 N 0.29 0.63 1.52 1.25 0.87 -1.39 0.54 113.55 117.26 2fuh h SER 11 Ca 0.01 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2fuh h SER 11 Cb 1.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2fuh h SER 11 CO 0.09 0.46 -0.49 -0.78 -0.53 0.00 0.00 176.83 175.58 2fuh h ASP 12 N 0.75 0.00 0.00 6.23 1.82 -1.60 -3.14 116.42 120.48 2fuh h ASP 12 Ca 0.20 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 2fuh h ASP 12 Cb -0.08 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 2fuh h ASP 12 CO -0.04 0.20 -0.39 0.25 -1.61 0.00 0.00 179.24 177.66 2fuh h LEU 13 N 0.00 0.00 -0.92 2.28 5.85 -0.71 -1.20 115.31 120.60 2fuh h LEU 13 Ca -0.02 -0.61 0.11 0.00 0.84 0.00 0.00 57.88 58.20 2fuh h LEU 13 Cb 1.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 2fuh h LEU 13 CO 0.02 1.03 0.56 0.00 -0.34 0.00 0.00 178.44 179.71 2fuh h ALA 14 N -0.39 1.35 0.07 1.25 0.00 -0.13 0.76 119.26 122.18 2fuh h ALA 14 Ca -0.09 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2fuh h ALA 14 Cb 0.87 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2fuh h ALA 14 CO -0.06 0.18 -0.47 -0.09 0.00 0.00 0.00 179.25 178.81 2fuh h ARG 15 N 0.91 0.19 -2.96 0.00 2.43 -1.69 -3.40 114.38 109.86 2fuh h ARG 15 Ca 0.45 -0.30 -0.62 0.00 -0.81 0.00 0.00 59.98 58.70 2fuh h ARG 15 Cb 0.42 0.11 -0.42 0.00 -0.42 0.00 0.00 29.97 29.66 2fuh h ARG 15 CO -0.25 1.12 -0.60 -0.25 -1.51 0.00 0.00 179.97 178.48 2fuh n ASP 16 N -4.33 2.88 -4.86 -3.80 8.00 -0.45 -5.10 116.55 108.89 2fuh n ASP 16 Ca -0.12 -3.19 -0.31 0.00 0.71 0.00 0.00 54.79 51.89 2fuh n ASP 16 Cb 0.67 -0.74 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2fuh n ASP 16 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2fuh s PRO 17 N -1.48 3.30 0.24 -0.24 0.04 0.23 -4.32 135.00 132.77 2fuh s PRO 17 Ca 0.27 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2fuh s PRO 17 Cb -0.02 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2fuh s PRO 17 CO -0.16 -0.78 1.41 -1.25 0.04 0.00 0.00 177.00 176.26 2fuh s PRO 18 N -5.20 4.30 -0.08 0.56 0.04 -1.26 -4.96 135.00 128.40 2fuh s PRO 18 Ca 0.56 2.24 -0.24 0.00 0.04 0.00 0.00 61.00 63.61 2fuh s PRO 18 Cb -0.12 -3.13 -0.20 0.00 0.04 0.00 0.00 34.50 31.10 2fuh s PRO 18 CO 0.54 -0.37 0.88 0.00 0.04 0.00 0.00 177.00 178.08 2fuh h ALA 19 N 5.06 -0.07 0.00 8.56 0.00 -2.03 -3.40 119.26 127.38 2fuh h ALA 19 Ca -0.46 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 2fuh h ALA 19 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2fuh h ALA 19 CO 0.77 -0.16 -0.56 -0.56 0.00 0.00 0.00 179.25 178.74 2fuh h GLN 20 N -0.82 0.00 -7.37 0.00 3.07 -2.00 -3.47 115.11 104.51 2fuh h GLN 20 Ca -0.01 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.25 2fuh h GLN 20 Cb 0.65 0.00 0.14 0.00 0.08 0.00 0.00 27.48 28.35 2fuh h GLN 20 CO 0.01 0.55 0.27 0.00 0.09 0.00 0.00 178.83 179.75 2fuh s SER 22 N -3.61 0.35 0.03 0.00 0.15 -1.15 -4.47 113.70 105.00 2fuh s SER 22 Ca 0.63 0.07 -0.03 0.00 0.70 0.00 0.00 55.95 57.31 2fuh s SER 22 Cb -0.17 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2fuh s SER 22 CO 0.56 -0.16 0.05 0.00 1.20 0.00 0.00 173.24 174.88 2fuh s ALA 23 N 1.39 0.05 -0.30 5.45 0.00 -1.26 -0.31 121.76 126.78 2fuh s ALA 23 Ca -0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 2fuh s ALA 23 Cb -0.13 0.22 0.18 0.00 0.00 0.00 0.00 23.12 23.39 2fuh s ALA 23 CO -0.03 -0.28 0.77 0.20 0.00 0.00 0.00 175.76 176.43 2fuh s GLY 24 N -2.01 -0.75 0.47 0.00 0.00 -1.15 -5.01 107.32 98.87 2fuh s GLY 24 Ca -0.07 2.21 -0.22 0.00 0.00 0.00 0.00 44.72 46.64 2fuh s GLY 24 CO -0.04 3.54 0.74 -1.05 0.00 0.00 0.00 173.10 176.29 2fuh n PRO 25 N 5.45 0.85 -3.95 2.90 -0.02 -1.26 -3.75 135.00 135.21 2fuh n PRO 25 Ca -0.03 0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 2fuh n PRO 25 Cb 0.52 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 2fuh n PRO 25 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fuh s VAL 26 N -1.46 5.22 0.00 -1.45 1.01 -0.66 -4.92 120.40 118.15 2fuh s VAL 26 Ca 0.66 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2fuh s VAL 26 Cb -0.54 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2fuh s VAL 26 CO 0.56 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2fuh n GLY 27 N -0.01 -2.75 3.23 4.51 0.00 -1.26 -4.63 105.19 104.27 2fuh n GLY 27 Ca -0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 2fuh n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fuh n ASP 28 N -0.35 -7.06 -1.70 1.61 8.00 -1.26 -4.70 116.55 111.10 2fuh n ASP 28 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2fuh n ASP 28 Cb 0.00 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 2fuh n ASP 28 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2fuh n ASP 29 N -1.78 -9.04 -3.64 -2.24 8.00 -1.26 -4.43 116.55 102.15 2fuh n ASP 29 Ca -0.07 1.55 -0.41 0.00 0.71 0.00 0.00 54.79 56.57 2fuh n ASP 29 Cb 0.55 -5.30 -0.01 0.00 -0.02 0.00 0.00 41.12 36.34 2fuh n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2fuh n MET 30 N -1.49 2.91 0.00 -1.24 2.81 -1.26 -3.99 117.12 114.85 2fuh n MET 30 Ca 0.00 -2.46 0.00 0.00 -1.81 0.00 0.00 57.70 53.43 2fuh n MET 30 Cb 0.17 -3.16 0.00 0.00 -0.71 0.00 0.00 33.22 29.52 2fuh n MET 30 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2fuh n PHE 31 N 5.69 0.00 -3.73 2.03 3.01 -1.26 -4.72 117.46 118.48 2fuh n PHE 31 Ca 0.57 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.66 2fuh n PHE 31 Cb 0.36 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.71 2fuh n PHE 31 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2fuh s HIS 32 N -1.65 3.13 0.22 1.38 2.46 -1.26 -2.73 115.29 116.84 2fuh s HIS 32 Ca 0.00 -0.24 0.10 0.00 0.47 0.00 0.00 55.06 55.39 2fuh s HIS 32 Cb 0.00 -2.26 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 2fuh s HIS 32 CO 0.00 -0.27 -0.14 -1.58 -2.47 0.00 0.00 174.74 170.28 2fuh s TRP 33 N 1.56 2.48 0.18 3.88 0.52 -1.05 -1.65 118.94 124.87 2fuh s TRP 33 Ca 0.06 -0.28 0.09 0.00 0.02 0.00 0.00 56.10 55.99 2fuh s TRP 33 Cb -0.15 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.96 2fuh s TRP 33 CO 0.05 0.58 -0.18 -1.14 0.02 0.00 0.00 176.95 176.28 2fuh s GLN 34 N -3.09 1.33 0.12 4.98 2.00 -1.25 -2.81 119.66 120.94 2fuh s GLN 34 Ca 0.26 -1.47 -0.19 0.00 -2.00 0.00 0.00 55.36 51.96 2fuh s GLN 34 Cb -0.07 -1.36 0.05 0.00 0.80 0.00 0.00 33.01 32.42 2fuh s GLN 34 CO 0.14 0.27 0.47 0.00 -0.50 0.00 0.00 175.29 175.67 2fuh s ALA 35 N -2.20 -1.15 0.04 1.58 0.00 -0.65 -2.95 121.76 116.43 2fuh s ALA 35 Ca 0.18 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.25 2fuh s ALA 35 Cb -0.05 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2fuh s ALA 35 CO 0.07 -0.64 0.18 0.99 0.00 0.00 0.00 175.76 176.36 2fuh s THR 36 N -3.52 0.11 0.04 0.00 2.01 0.57 -2.04 115.64 112.82 2fuh s THR 36 Ca 0.01 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 2fuh s THR 36 Cb 0.01 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 2fuh s THR 36 CO -0.10 -0.52 0.14 0.27 -0.69 0.00 0.00 174.62 173.71 2fuh s ILE 37 N -2.64 0.12 -0.12 1.82 -4.36 -1.26 -2.95 121.20 111.82 2fuh s ILE 37 Ca -0.04 -1.03 0.03 0.00 -0.26 0.00 0.00 60.65 59.35 2fuh s ILE 37 Cb -0.01 -0.93 0.01 0.00 1.25 0.00 0.00 42.46 42.79 2fuh s ILE 37 CO -0.04 -0.57 -0.20 -0.32 0.24 0.00 0.00 174.94 174.05 2fuh s MET 38 N -2.66 2.70 -0.78 0.37 1.75 -1.26 -2.54 119.30 116.88 2fuh s MET 38 Ca -0.04 -0.74 -0.36 0.00 -1.25 0.00 0.00 55.69 53.29 2fuh s MET 38 Cb -0.01 -2.17 -0.20 0.00 2.84 0.00 0.00 34.83 35.29 2fuh s MET 38 CO -0.05 0.02 2.46 0.41 -0.65 0.00 0.00 175.02 177.21 2fuh n GLY 39 N 3.96 -0.33 3.18 2.11 0.00 -1.20 -4.84 105.19 108.07 2fuh n GLY 39 Ca -0.20 1.13 -0.35 0.00 0.00 0.00 0.00 46.02 46.61 2fuh n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2fuh n PRO 40 N 8.08 -1.01 -0.67 1.61 -0.02 -1.26 -3.91 135.00 137.82 2fuh n PRO 40 Ca 0.61 -0.28 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 2fuh n PRO 40 Cb 0.01 -1.45 0.07 0.00 -0.02 0.00 0.00 33.50 32.10 2fuh n PRO 40 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2fuh n ASN 41 N 0.17 0.06 -3.03 2.55 0.23 -1.26 -3.72 115.26 110.26 2fuh n ASN 41 Ca -0.00 -1.17 -0.19 0.00 -0.53 0.00 0.00 54.58 52.68 2fuh n ASN 41 Cb 0.67 -0.33 -0.00 0.00 -2.08 0.00 0.00 39.78 38.03 2fuh n ASN 41 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2fuh n ASP 42 N -3.27 -3.82 -3.58 0.53 2.03 -1.26 -4.91 116.55 102.27 2fuh n ASP 42 Ca 0.06 -0.17 -0.16 0.00 0.52 0.00 0.00 54.79 55.03 2fuh n ASP 42 Cb 0.19 -3.19 -0.06 0.00 -0.72 0.00 0.00 41.12 37.34 2fuh n ASP 42 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2fuh s SER 43 N -2.48 -0.51 0.10 1.67 1.04 -1.26 -5.03 113.70 107.23 2fuh s SER 43 Ca 0.26 0.45 0.18 0.00 0.48 0.00 0.00 55.95 57.31 2fuh s SER 43 Cb -0.13 0.49 0.75 0.00 0.10 0.00 0.00 66.02 67.22 2fuh s SER 43 CO 0.32 -0.62 1.55 -0.81 0.98 0.00 0.00 173.24 174.66 2fuh n PRO 44 N 0.82 0.08 0.25 4.02 -0.04 -1.26 -2.27 135.00 136.60 2fuh n PRO 44 Ca -0.19 0.33 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 2fuh n PRO 44 Cb 0.58 -1.65 0.49 0.00 -0.04 0.00 0.00 33.50 32.88 2fuh n PRO 44 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2fuh h TYR 45 N 0.00 0.00 -2.51 0.54 -1.99 -1.91 -3.44 116.97 107.66 2fuh h TYR 45 Ca 0.00 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.17 2fuh h TYR 45 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2fuh h TYR 45 CO 0.00 0.00 1.20 -1.14 -0.00 0.00 0.00 178.16 178.22 2fuh s GLN 46 N -3.48 3.89 0.00 4.88 0.74 -0.96 -3.55 119.66 121.18 2fuh s GLN 46 Ca 0.04 2.10 0.00 0.00 0.05 0.00 0.00 55.36 57.54 2fuh s GLN 46 Cb 0.08 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 30.08 2fuh s GLN 46 CO 0.59 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.53 2fuh n GLY 47 N 4.64 -0.74 3.50 2.59 0.00 -1.26 -5.05 105.19 108.88 2fuh n GLY 47 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.14 0.30 -0.09 -0.02 0.00 -1.23 -4.69 107.32 101.45 2fuh s GLY 48 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.08 2fuh s GLY 48 CO 0.00 -0.56 -0.12 -1.34 0.00 0.00 0.00 173.10 171.08 2fuh s VAL 49 N -3.95 1.22 0.69 1.40 -7.23 -1.25 -3.20 120.40 108.07 2fuh s VAL 49 Ca 0.16 -0.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 2fuh s VAL 49 Cb 0.00 -1.14 0.13 0.00 0.56 0.00 0.00 36.38 35.93 2fuh s VAL 49 CO 0.02 0.38 0.95 -0.36 -0.31 0.00 0.00 175.10 175.79 2fuh s PHE 50 N 1.05 1.20 -0.02 2.82 0.08 -1.05 -4.77 117.98 117.28 2fuh s PHE 50 Ca -0.07 -0.55 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 2fuh s PHE 50 Cb -0.15 -2.67 0.03 0.00 -0.57 0.00 0.00 43.02 39.67 2fuh s PHE 50 CO -0.01 -1.64 0.04 -0.06 -0.10 0.00 0.00 175.22 173.44 2fuh s PHE 51 N -3.01 0.03 0.15 0.36 0.08 -1.26 -4.00 117.98 110.33 2fuh s PHE 51 Ca 0.66 0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.92 2fuh s PHE 51 Cb -0.04 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 2fuh s PHE 51 CO 0.43 -0.10 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.17 2fuh s LEU 52 N 1.17 2.51 -0.09 -0.37 0.20 -0.87 -1.22 118.68 120.01 2fuh s LEU 52 Ca -0.08 -0.97 -0.05 0.00 0.69 0.00 0.00 54.13 53.72 2fuh s LEU 52 Cb -0.13 -0.44 0.04 0.00 -0.43 0.00 0.00 46.19 45.23 2fuh s LEU 52 CO -0.03 -0.26 0.22 -0.89 -0.29 0.00 0.00 176.35 175.09 2fuh s THR 53 N -3.00 -0.03 -0.16 3.68 2.01 -1.24 -1.63 115.64 115.26 2fuh s THR 53 Ca 0.16 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 2fuh s THR 53 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 2fuh s THR 53 CO 0.02 0.05 0.19 -0.63 -0.69 0.00 0.00 174.62 173.56 2fuh s ILE 54 N 0.99 5.38 -0.26 1.82 1.09 -1.12 -3.91 121.20 125.19 2fuh s ILE 54 Ca -0.07 0.33 -0.03 0.00 -1.10 0.00 0.00 60.65 59.78 2fuh s ILE 54 Cb -0.09 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 2fuh s ILE 54 CO -0.06 0.48 -0.03 -2.28 -0.10 0.00 0.00 174.94 172.95 2fuh s HIS 55 N -0.04 3.07 -0.12 3.97 2.46 -1.24 -2.52 115.29 120.88 2fuh s HIS 55 Ca 0.13 -1.39 -0.24 0.00 0.47 0.00 0.00 55.06 54.03 2fuh s HIS 55 Cb -0.12 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.20 2fuh s HIS 55 CO 0.02 -0.68 0.76 -0.06 -2.47 0.00 0.00 174.74 172.30 2fuh s PHE 56 N 1.37 3.50 0.23 3.88 0.08 -1.11 -3.12 117.98 122.82 2fuh s PHE 56 Ca 0.01 1.24 -0.29 0.00 0.12 0.00 0.00 56.93 58.02 2fuh s PHE 56 Cb -0.17 -2.90 -0.09 0.00 -0.57 0.00 0.00 43.02 39.29 2fuh s PHE 56 CO -0.03 -0.07 0.90 -1.25 -0.10 0.00 0.00 175.22 174.67 2fuh s PRO 57 N 1.44 4.77 0.00 0.24 0.04 -1.26 -4.89 135.00 135.35 2fuh s PRO 57 Ca 0.38 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2fuh s PRO 57 Cb -0.17 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2fuh s PRO 57 CO 0.16 0.52 0.80 0.25 0.04 0.00 0.00 177.00 178.77 2fuh n THR 58 N 1.45 1.22 0.60 1.26 -2.24 -1.26 -0.42 114.28 114.88 2fuh n THR 58 Ca -0.03 0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 62.24 2fuh n THR 58 Cb 0.48 -1.49 0.06 0.00 -2.10 0.00 0.00 70.33 67.28 2fuh n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fuh n ASP 59 N -1.30 2.40 -0.99 3.42 -0.08 -1.26 -4.95 116.55 113.78 2fuh n ASP 59 Ca 0.00 -2.24 0.05 0.00 -1.51 0.00 0.00 54.79 51.09 2fuh n ASP 59 Cb 0.19 -0.55 -0.03 0.00 2.34 0.00 0.00 41.12 43.07 2fuh n ASP 59 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2fuh n TYR 60 N 0.14 -2.69 -0.24 -0.67 4.02 0.44 -4.22 117.16 113.95 2fuh n TYR 60 Ca 0.08 1.47 0.01 0.00 -0.01 0.00 0.00 57.90 59.44 2fuh n TYR 60 Cb 0.55 -2.43 0.13 0.00 -0.02 0.00 0.00 39.34 37.56 2fuh n TYR 60 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2fuh h PRO 61 N -0.34 0.57 0.00 -0.72 0.11 -1.94 -2.18 132.00 127.49 2fuh h PRO 61 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2fuh h PRO 61 Cb 0.75 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2fuh h PRO 61 CO 0.02 0.37 0.43 1.97 -0.21 0.00 0.00 178.00 180.59 2fuh n PHE 62 N -4.87 0.05 -3.83 0.65 1.16 -1.26 -4.28 117.46 105.08 2fuh n PHE 62 Ca 0.10 0.03 -0.36 0.00 -1.87 0.00 0.00 57.45 55.35 2fuh n PHE 62 Cb 0.26 -0.16 -0.06 0.00 -1.61 0.00 0.00 39.48 37.91 2fuh n PHE 62 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2fuh s LYS 63 N -2.49 3.51 -0.21 3.97 -0.14 -0.82 -4.85 119.74 118.71 2fuh s LYS 63 Ca -0.00 -0.12 -0.36 0.00 -1.36 0.00 0.00 55.97 54.13 2fuh s LYS 63 Cb 0.00 -3.14 -0.12 0.00 -1.68 0.00 0.00 37.83 32.89 2fuh s LYS 63 CO 0.01 0.72 1.95 -2.30 -0.76 0.00 0.00 175.35 174.97 2fuh n PRO 64 N 1.51 1.64 -1.93 -1.68 -0.02 -1.26 -4.86 135.00 128.41 2fuh n PRO 64 Ca -0.15 0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 2fuh n PRO 64 Cb 0.54 -2.50 0.11 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.65 1.62 -0.56 0.52 0.04 -1.26 -4.90 135.00 135.10 2fuh s PRO 65 Ca 0.99 -0.05 -0.09 0.00 0.04 0.00 0.00 61.00 61.89 2fuh s PRO 65 Cb -0.81 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 31.94 2fuh s PRO 65 CO 0.54 -1.79 0.44 0.21 0.04 0.00 0.00 177.00 176.43 2fuh s LYS 66 N -5.64 2.69 0.15 4.56 2.47 -1.18 -5.01 119.74 117.77 2fuh s LYS 66 Ca 0.65 -2.04 -0.09 0.00 -1.56 0.00 0.00 55.97 52.93 2fuh s LYS 66 Cb -0.09 -3.98 -0.06 0.00 -1.46 0.00 0.00 37.83 32.24 2fuh s LYS 66 CO 0.50 -1.21 0.45 0.54 0.16 0.00 0.00 175.35 175.79 2fuh s VAL 67 N 0.86 5.04 -0.02 4.02 0.11 -1.26 -3.72 120.40 125.44 2fuh s VAL 67 Ca 0.10 0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 59.29 2fuh s VAL 67 Cb -0.22 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.04 2fuh s VAL 67 CO -0.03 0.10 0.51 0.00 -3.33 0.00 0.00 175.10 172.35 2fuh s ALA 68 N -1.61 -1.30 -0.24 1.54 0.00 -1.25 -4.63 121.76 114.26 2fuh s ALA 68 Ca 0.40 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 2fuh s ALA 68 Cb -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2fuh s ALA 68 CO 0.21 -0.35 0.80 -0.06 0.00 0.00 0.00 175.76 176.35 2fuh s PHE 69 N -1.49 3.31 0.11 0.00 0.40 -1.25 -3.73 117.98 115.33 2fuh s PHE 69 Ca -0.11 1.09 0.11 0.00 -0.60 0.00 0.00 56.93 57.42 2fuh s PHE 69 Cb -0.02 -3.01 0.11 0.00 0.51 0.00 0.00 43.02 40.61 2fuh s PHE 69 CO 0.06 -0.38 1.46 1.15 0.70 0.00 0.00 175.22 178.21 2fuh h THR 70 N 5.41 1.36 -3.62 0.64 2.02 -1.52 -3.42 112.91 113.77 2fuh h THR 70 Ca -0.24 -2.59 -0.68 0.00 0.77 0.00 0.00 66.41 63.67 2fuh h THR 70 Cb 1.10 2.46 -0.25 0.00 -1.74 0.00 0.00 68.15 69.72 2fuh h THR 70 CO 0.85 0.70 -0.59 -0.89 0.37 0.00 0.00 175.52 175.97 2fuh s THR 71 N -3.11 4.26 0.45 3.16 2.01 -1.09 -4.94 115.64 116.39 2fuh s THR 71 Ca 0.01 -0.62 -0.23 0.00 0.31 0.00 0.00 61.69 61.16 2fuh s THR 71 Cb 0.10 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.29 2fuh s THR 71 CO 0.77 0.03 0.78 -1.14 -0.69 0.00 0.00 174.62 174.37 2fuh n ARG 72 N 4.92 0.92 -3.71 4.92 0.63 -1.26 -4.82 116.66 118.26 2fuh n ARG 72 Ca -0.14 0.33 -0.13 0.00 -0.92 0.00 0.00 57.85 57.00 2fuh n ARG 72 Cb 0.48 -1.80 -0.09 0.00 0.45 0.00 0.00 32.46 31.49 2fuh n ARG 72 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2fuh s ILE 73 N -1.41 -0.00 -0.89 5.15 2.07 -1.26 -4.68 121.20 120.18 2fuh s ILE 73 Ca 0.65 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.68 2fuh s ILE 73 Cb -0.56 -0.67 0.08 0.00 0.13 0.00 0.00 42.46 41.44 2fuh s ILE 73 CO 0.56 0.00 1.23 -0.47 -1.91 0.00 0.00 174.94 174.35 2fuh s TYR 74 N 0.40 2.74 -0.07 3.50 5.04 -1.26 -4.86 117.35 122.85 2fuh s TYR 74 Ca -0.01 -0.90 -0.08 0.00 -2.44 0.00 0.00 57.07 53.63 2fuh s TYR 74 Cb -0.04 -4.47 0.02 0.00 0.35 0.00 0.00 41.96 37.82 2fuh s TYR 74 CO -0.01 -1.74 0.22 -1.58 -1.34 0.00 0.00 175.55 171.10 2fuh s HIS 75 N 4.06 -0.20 0.27 4.97 2.46 -1.26 -4.91 115.29 120.68 2fuh s HIS 75 Ca 0.36 0.46 0.17 0.00 0.47 0.00 0.00 55.06 56.53 2fuh s HIS 75 Cb -0.06 0.06 0.76 0.00 -0.13 0.00 0.00 32.58 33.22 2fuh s HIS 75 CO -0.03 -0.16 1.79 -1.00 -2.47 0.00 0.00 174.74 172.87 2fuh h PRO 76 N 5.44 0.00 0.00 2.88 0.13 -1.89 -2.86 132.00 135.70 2fuh h PRO 76 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 2fuh h PRO 76 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2fuh h PRO 76 CO 0.38 0.37 -0.89 -0.97 -0.23 0.00 0.00 178.00 176.65 2fuh h ASN 77 N 0.00 0.00 -3.28 1.44 -1.24 -1.94 -2.65 115.58 107.91 2fuh h ASN 77 Ca -0.00 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 56.38 2fuh h ASN 77 Cb 0.78 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 39.66 2fuh h ASN 77 CO 0.05 0.70 -0.60 -0.63 -1.29 0.00 0.00 177.43 175.66 2fuh s ILE 78 N -2.85 4.49 0.62 2.57 -1.09 -1.08 -3.97 121.20 119.89 2fuh s ILE 78 Ca 0.01 -0.15 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2fuh s ILE 78 Cb 0.08 -2.99 0.07 0.00 -1.58 0.00 0.00 42.46 38.04 2fuh s ILE 78 CO 0.78 0.49 0.87 0.21 -1.23 0.00 0.00 174.94 176.06 2fuh s ASN 79 N 0.18 4.93 0.21 3.58 3.84 -0.90 -4.21 114.94 122.57 2fuh s ASN 79 Ca 0.02 -0.09 0.18 0.00 0.21 0.00 0.00 52.86 53.19 2fuh s ASN 79 Cb -0.13 -0.61 0.02 0.00 -0.55 0.00 0.00 41.25 39.99 2fuh s ASN 79 CO 0.01 -1.42 1.18 0.28 -2.79 0.00 0.00 177.10 174.36 2fuh h SER 80 N -0.18 0.00 1.24 -4.21 0.02 -1.89 -3.25 113.55 105.27 2fuh h SER 80 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2fuh h SER 80 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2fuh h SER 80 CO 0.49 0.36 0.00 -1.13 -1.14 0.00 0.00 176.83 175.41 2fuh h ASN 81 N 0.00 0.00 0.00 3.07 -1.24 -1.98 -3.46 115.58 111.97 2fuh h ASN 81 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2fuh h ASN 81 Cb 1.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.37 2fuh h ASN 81 CO 0.04 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 2fuh n GLY 82 N 0.79 1.11 3.70 1.57 0.00 -1.23 -4.96 105.19 106.16 2fuh n GLY 82 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2fuh n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fuh s SER 83 N -2.00 6.94 0.05 1.61 1.04 -1.26 -3.84 113.70 116.24 2fuh s SER 83 Ca 0.00 1.14 0.07 0.00 0.48 0.00 0.00 55.95 57.64 2fuh s SER 83 Cb 0.00 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 2fuh s SER 83 CO 0.00 -0.19 -0.20 -0.63 0.98 0.00 0.00 173.24 173.20 2fuh s ILE 84 N 1.22 1.58 -0.38 -1.02 1.09 -1.26 -2.12 121.20 120.31 2fuh s ILE 84 Ca 0.37 -1.22 -0.16 0.00 -1.10 0.00 0.00 60.65 58.54 2fuh s ILE 84 Cb -0.17 -1.39 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 2fuh s ILE 84 CO 0.16 0.13 0.36 0.00 -0.10 0.00 0.00 174.94 175.49 2fuh s LEU 86 N 1.97 1.28 0.02 0.00 1.02 -1.26 -5.04 118.68 116.68 2fuh s LEU 86 Ca 0.10 -0.14 -0.23 0.00 0.02 0.00 0.00 54.13 53.88 2fuh s LEU 86 Cb -0.17 -0.49 -0.16 0.00 0.02 0.00 0.00 46.19 45.38 2fuh s LEU 86 CO 0.12 -0.06 1.34 0.44 0.02 0.00 0.00 176.35 178.21 2fuh h ASP 87 N 7.30 0.21 0.00 2.29 5.19 -1.99 -2.64 116.42 126.78 2fuh h ASP 87 Ca -0.35 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.60 2fuh h ASP 87 Cb 1.15 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2fuh h ASP 87 CO 0.45 0.61 0.15 2.30 -3.12 0.00 0.00 179.24 179.63 2fuh n ILE 88 N -4.71 1.06 0.77 0.35 -6.64 -1.26 0.93 119.36 109.85 2fuh n ILE 88 Ca -0.07 0.66 0.11 0.00 -1.77 0.00 0.00 62.75 61.68 2fuh n ILE 88 Cb 0.29 -1.66 -0.06 0.00 -1.44 0.00 0.00 39.64 36.77 2fuh n ILE 88 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2fuh n LEU 89 N -1.90 0.73 0.00 7.28 7.94 -1.01 -3.49 117.00 126.55 2fuh n LEU 89 Ca -0.01 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 2fuh n LEU 89 Cb 0.16 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2fuh n LEU 89 CO 0.05 0.16 0.00 -1.14 -1.11 0.00 0.00 177.39 175.35 2fuh n ARG 90 N -1.70 0.00 0.07 1.96 0.63 0.26 -4.81 116.66 113.07 2fuh n ARG 90 Ca 0.03 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.06 2fuh n ARG 90 Cb 0.39 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.24 2fuh n ARG 90 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2fuh n SER 91 N 0.00 0.59 -0.80 6.15 3.41 -1.25 -4.07 113.62 117.65 2fuh n SER 91 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2fuh n SER 91 Cb 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2fuh n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fuh n GLN 92 N -2.56 0.78 -2.65 4.33 6.02 -1.25 -4.75 117.38 117.31 2fuh n GLN 92 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2fuh n GLN 92 Cb 0.57 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 2fuh n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2fuh s TRP 93 N -0.28 2.53 -0.25 1.08 -0.11 -1.23 -4.73 118.94 115.96 2fuh s TRP 93 Ca 0.00 0.03 -0.27 0.00 1.22 0.00 0.00 56.10 57.08 2fuh s TRP 93 Cb 0.00 -4.45 0.00 0.00 -1.50 0.00 0.00 33.47 27.52 2fuh s TRP 93 CO 0.00 -1.74 0.95 -1.12 -4.62 0.00 0.00 176.95 170.43 2fuh s SER 94 N 3.33 6.97 0.00 5.86 0.01 -1.26 -4.88 113.70 123.72 2fuh s SER 94 Ca 0.35 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.80 2fuh s SER 94 Cb -0.10 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2fuh s SER 94 CO 0.18 -0.63 0.52 -2.65 0.41 0.00 0.00 173.24 171.08 2fuh n PRO 95 N 6.25 0.00 -3.10 12.44 -0.02 -1.26 -1.91 135.00 147.39 2fuh n PRO 95 Ca 0.09 0.12 -0.18 0.00 -2.02 0.00 0.00 63.50 61.51 2fuh n PRO 95 Cb 0.47 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 2fuh n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fuh n ALA 96 N -1.02 1.51 -2.82 3.55 0.00 -1.26 -4.65 120.51 115.82 2fuh n ALA 96 Ca 0.00 -3.00 -0.29 0.00 0.00 0.00 0.00 53.44 50.15 2fuh n ALA 96 Cb 0.24 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 2fuh n ALA 96 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2fuh s LEU 97 N -1.91 3.93 0.17 0.00 0.05 -0.80 -5.09 118.68 115.03 2fuh s LEU 97 Ca 0.36 0.01 -0.30 0.00 0.05 0.00 0.00 54.13 54.25 2fuh s LEU 97 Cb 0.28 -2.57 -0.07 0.00 -2.05 0.00 0.00 46.19 41.78 2fuh s LEU 97 CO -0.10 0.13 1.07 -0.89 -0.55 0.00 0.00 176.35 176.01 2fuh s THR 98 N -1.55 3.98 0.31 5.48 2.01 -1.26 -4.93 115.64 119.68 2fuh s THR 98 Ca 0.31 1.72 0.07 0.00 0.31 0.00 0.00 61.69 64.10 2fuh s THR 98 Cb -0.11 -4.10 0.31 0.00 0.01 0.00 0.00 72.50 68.61 2fuh s THR 98 CO 0.24 0.30 1.78 -0.29 -0.69 0.00 0.00 174.62 175.96 2fuh h ILE 99 N 3.73 0.70 0.00 1.82 6.09 -1.98 0.87 117.51 128.74 2fuh h ILE 99 Ca -0.44 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 2fuh h ILE 99 Cb 1.21 -0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.41 2fuh h ILE 99 CO 0.72 0.13 0.00 -0.24 -3.07 0.00 0.00 178.15 175.69 2fuh n SER 100 N -4.74 0.42 -0.13 2.19 2.88 -1.26 -2.93 113.62 110.05 2fuh n SER 100 Ca 0.23 0.61 -0.09 0.00 -1.33 0.00 0.00 58.87 58.29 2fuh n SER 100 Cb 0.59 -0.69 -0.01 0.00 -0.75 0.00 0.00 64.21 63.35 2fuh n SER 100 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2fuh h LYS 101 N 0.00 0.56 -0.07 -1.46 3.64 0.42 -0.87 116.57 118.79 2fuh h LYS 101 Ca 0.00 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 2fuh h LYS 101 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2fuh h LYS 101 CO 0.00 0.49 -0.68 -0.24 -2.27 0.00 0.00 179.45 176.74 2fuh h VAL 102 N 0.49 1.39 -0.70 2.00 3.04 -1.62 -2.74 116.25 118.11 2fuh h VAL 102 Ca 0.13 -2.11 -0.06 0.00 -1.01 0.00 0.00 66.70 63.66 2fuh h VAL 102 Cb 0.11 2.08 -0.03 0.00 -2.01 0.00 0.00 31.29 31.44 2fuh h VAL 102 CO -0.02 0.63 0.21 -0.07 -1.01 0.00 0.00 177.57 177.31 2fuh h LEU 103 N 0.23 1.01 -0.45 3.16 3.38 -1.53 -2.79 115.31 118.33 2fuh h LEU 103 Ca -0.02 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 2fuh h LEU 103 Cb 1.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2fuh h LEU 103 CO 0.11 0.95 -0.19 -0.07 0.09 0.00 0.00 178.44 179.33 2fuh h LEU 104 N 1.04 0.94 -1.05 1.67 3.38 -1.11 -2.95 115.31 117.23 2fuh h LEU 104 Ca 0.23 -0.40 0.19 0.00 0.09 0.00 0.00 57.88 57.99 2fuh h LEU 104 Cb 0.30 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 2fuh h LEU 104 CO -0.01 1.13 0.61 0.28 0.09 0.00 0.00 178.44 180.54 2fuh h SER 105 N 0.75 0.76 -0.35 -0.43 0.02 -1.21 -0.09 113.55 112.99 2fuh h SER 105 Ca 0.10 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 2fuh h SER 105 Cb 0.76 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2fuh h SER 105 CO 0.06 0.27 -0.07 0.40 -1.14 0.00 0.00 176.83 176.36 2fuh h ILE 106 N 0.74 1.27 -0.26 3.27 2.04 -1.39 -3.17 117.51 120.02 2fuh h ILE 106 Ca 0.57 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 65.37 2fuh h ILE 106 Cb 0.92 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 2fuh h ILE 106 CO -0.36 0.37 -0.26 0.00 0.00 0.00 0.00 178.15 177.90 2fuh h SER 108 N -0.26 0.00 0.07 0.00 4.64 -1.43 -0.85 113.55 115.73 2fuh h SER 108 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2fuh h SER 108 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2fuh h SER 108 CO -0.41 0.00 -0.03 0.25 -0.87 0.00 0.00 176.83 175.77 2fuh h LEU 109 N 0.00 -0.08 -0.98 5.97 7.12 -0.31 0.22 115.31 127.24 2fuh h LEU 109 Ca 0.16 -0.53 0.04 0.00 0.13 0.00 0.00 57.88 57.69 2fuh h LEU 109 Cb 1.00 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 41.09 2fuh h LEU 109 CO -0.00 0.54 0.64 -0.07 -0.13 0.00 0.00 178.44 179.42 2fuh h LEU 110 N -0.76 1.06 -0.02 2.25 4.07 -0.62 -2.78 115.31 118.50 2fuh h LEU 110 Ca -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 2fuh h LEU 110 Cb 0.60 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2fuh h LEU 110 CO 0.02 0.72 -0.15 0.00 -1.08 0.00 0.00 178.44 177.95 2fuh s ASP 112 N -6.13 5.21 0.69 0.00 -1.08 0.76 -5.03 116.67 111.09 2fuh s ASP 112 Ca -0.16 -2.35 -0.05 0.00 -0.52 0.00 0.00 52.55 49.47 2fuh s ASP 112 Cb 0.01 -1.83 0.08 0.00 -1.46 0.00 0.00 42.92 39.73 2fuh s ASP 112 CO 0.72 -0.47 0.19 -2.65 0.52 0.00 0.00 175.17 173.48 2fuh n PRO 113 N 4.16 -0.40 -3.05 4.34 -0.02 -1.09 -4.31 135.00 134.63 2fuh n PRO 113 Ca 0.02 -0.32 -0.06 0.00 -2.02 0.00 0.00 63.50 61.11 2fuh n PRO 113 Cb 0.40 -0.70 -0.02 0.00 -0.02 0.00 0.00 33.50 33.16 2fuh n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2fuh s ASN 114 N -1.68 -0.90 0.00 2.55 2.47 -1.26 -4.98 114.94 111.14 2fuh s ASN 114 Ca 0.15 -1.51 0.24 0.00 0.42 0.00 0.00 52.86 52.16 2fuh s ASN 114 Cb -0.03 1.55 1.42 0.00 -1.45 0.00 0.00 41.25 42.74 2fuh s ASN 114 CO 0.12 -0.13 1.87 -0.81 -3.72 0.00 0.00 177.10 174.44 2fuh n PRO 115 N 3.60 0.93 -2.64 0.43 -0.04 -1.26 -4.42 135.00 131.61 2fuh n PRO 115 Ca 0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 2fuh n PRO 115 Cb 0.54 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2fuh n PRO 115 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2fuh s ASP 116 N -1.81 6.42 -0.97 3.54 -1.08 -1.26 -4.26 116.67 117.24 2fuh s ASP 116 Ca 0.36 -0.00 -0.13 0.00 -0.52 0.00 0.00 52.55 52.26 2fuh s ASP 116 Cb 0.16 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2fuh s ASP 116 CO 0.27 -1.43 0.66 -0.67 0.52 0.00 0.00 175.17 174.53 2fuh n ASP 117 N 8.22 -4.97 -2.11 -0.34 -0.08 -1.26 -4.95 116.55 111.06 2fuh n ASP 117 Ca 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 2fuh n ASP 117 Cb 0.49 -2.21 0.00 0.00 2.34 0.00 0.00 41.12 41.73 2fuh n ASP 117 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2fuh n PRO 118 N -3.48 2.54 0.00 -0.67 -0.02 -1.26 -5.01 135.00 127.10 2fuh n PRO 118 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2fuh n PRO 118 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2fuh n PRO 118 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2fuh n LEU 119 N 0.00 0.00 -3.84 2.45 7.94 -1.12 -4.94 117.00 117.49 2fuh n LEU 119 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2fuh n LEU 119 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 2fuh n LEU 119 CO 0.00 0.00 -0.07 -0.69 -1.11 0.00 0.00 177.39 175.52 2fuh s VAL 120 N -1.07 2.59 0.50 1.96 1.01 -1.02 -4.95 120.40 119.42 2fuh s VAL 120 Ca 0.00 -4.10 0.33 0.00 0.00 0.00 0.00 61.98 58.22 2fuh s VAL 120 Cb 0.00 -2.71 0.53 0.00 0.00 0.00 0.00 36.38 34.20 2fuh s VAL 120 CO 0.00 -1.04 1.74 -0.65 0.00 0.00 0.00 175.10 175.16 2fuh h PRO 121 N 5.42 0.10 -0.21 2.72 0.11 -1.92 0.83 132.00 139.05 2fuh h PRO 121 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2fuh h PRO 121 Cb 0.77 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2fuh h PRO 121 CO 0.68 0.07 0.11 1.49 -0.21 0.00 0.00 178.00 180.13 2fuh h GLU 122 N 0.10 0.30 0.04 1.05 4.81 -1.99 0.12 114.58 119.01 2fuh h GLU 122 Ca 0.65 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.61 2fuh h GLU 122 Cb 2.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.65 2fuh h GLU 122 CO -0.13 0.30 -1.01 0.82 -0.73 0.00 0.00 179.01 178.25 2fuh h ILE 123 N 0.22 1.44 -0.53 2.32 2.04 -1.31 -3.29 117.51 118.40 2fuh h ILE 123 Ca 0.07 -2.65 -0.11 0.00 1.00 0.00 0.00 64.86 63.18 2fuh h ILE 123 Cb 0.09 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 2fuh h ILE 123 CO -0.01 0.78 -0.10 0.00 0.00 0.00 0.00 178.15 178.82 2fuh h ALA 124 N 0.74 0.73 -0.62 1.87 0.00 -1.01 -2.83 119.26 118.14 2fuh h ALA 124 Ca -0.09 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.62 2fuh h ALA 124 Cb 1.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2fuh h ALA 124 CO 0.17 0.64 0.43 -0.09 0.00 0.00 0.00 179.25 180.40 2fuh h ARG 125 N 0.88 0.19 0.06 0.00 9.65 -0.83 0.72 114.38 125.06 2fuh h ARG 125 Ca 0.14 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2fuh h ARG 125 Cb 0.66 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2fuh h ARG 125 CO 0.05 0.13 -0.03 0.82 2.80 0.00 0.00 179.97 183.73 2fuh h ILE 126 N 0.20 1.25 -0.06 1.20 2.04 -1.60 -2.88 117.51 117.66 2fuh h ILE 126 Ca 0.30 -1.18 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 2fuh h ILE 126 Cb 0.90 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2fuh h ILE 126 CO -0.05 0.29 -0.56 0.22 0.00 0.00 0.00 178.15 178.05 2fuh h TYR 127 N -0.62 0.21 -0.06 1.37 5.03 -1.30 2.20 116.97 123.80 2fuh h TYR 127 Ca -0.01 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.18 2fuh h TYR 127 Cb 0.53 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2fuh h TYR 127 CO 0.10 0.69 -0.20 0.87 -1.32 0.00 0.00 178.16 178.30 2fuh h LYS 128 N 0.13 0.09 0.00 1.82 1.57 0.39 -3.36 116.57 117.21 2fuh h LYS 128 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2fuh h LYS 128 Cb 1.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2fuh h LYS 128 CO 0.08 0.29 -1.15 0.25 -0.57 0.00 0.00 179.45 178.36 2fuh n THR 129 N -4.26 0.15 -3.64 -0.16 -2.24 -1.09 -4.97 114.28 98.07 2fuh n THR 129 Ca -0.02 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 2fuh n THR 129 Cb 0.28 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 2fuh n THR 129 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2fuh s ASP 130 N -4.48 5.60 -0.20 3.42 1.11 0.74 -4.93 116.67 117.92 2fuh s ASP 130 Ca -0.04 -1.13 -0.10 0.00 0.18 0.00 0.00 52.55 51.46 2fuh s ASP 130 Cb 0.01 -1.97 -0.20 0.00 1.07 0.00 0.00 42.92 41.83 2fuh s ASP 130 CO 0.06 -0.39 0.08 0.54 1.18 0.00 0.00 175.17 176.63 2fuh n ARG 131 N 4.93 0.65 -0.00 8.23 5.12 -1.26 -3.34 116.66 130.99 2fuh n ARG 131 Ca -0.12 0.33 -0.11 0.00 -1.93 0.00 0.00 57.85 56.02 2fuh n ARG 131 Cb 0.45 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 30.05 2fuh n ARG 131 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2fuh h ASP 132 N -0.43 0.11 0.08 0.55 3.58 -1.93 -0.93 116.42 117.46 2fuh h ASP 132 Ca -0.48 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 2fuh h ASP 132 Cb 1.73 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.75 2fuh h ASP 132 CO -0.12 0.13 -0.07 0.50 -2.88 0.00 0.00 179.24 176.80 2fuh h LYS 133 N 0.09 0.00 0.00 0.28 3.64 -1.94 -0.97 116.57 117.67 2fuh h LYS 133 Ca 0.03 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2fuh h LYS 133 Cb 0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2fuh h LYS 133 CO -0.01 0.07 -0.63 -0.92 -2.27 0.00 0.00 179.45 175.69 2fuh h TYR 134 N 0.00 0.00 -0.32 1.91 3.20 -1.45 -3.13 116.97 117.18 2fuh h TYR 134 Ca -0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2fuh h TYR 134 Cb 0.12 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2fuh h TYR 134 CO 0.00 0.63 0.13 -0.97 -1.64 0.00 0.00 178.16 176.31 2fuh h ASN 135 N 0.00 0.44 -0.00 -2.11 -0.73 0.18 0.12 115.58 113.47 2fuh h ASN 135 Ca -0.01 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.00 2fuh h ASN 135 Cb 1.29 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.76 2fuh h ASN 135 CO 0.08 0.49 0.00 0.08 -0.37 0.00 0.00 177.43 177.71 2fuh h ARG 136 N 0.37 0.01 -0.12 6.67 0.11 -1.58 -2.84 114.38 117.01 2fuh h ARG 136 Ca 0.11 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.18 2fuh h ARG 136 Cb 0.19 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2fuh h ARG 136 CO -0.01 0.24 0.07 0.82 0.10 0.00 0.00 179.97 181.19 2fuh h ILE 137 N -0.22 1.07 -0.81 0.08 2.04 -1.51 0.40 117.51 118.56 2fuh h ILE 137 Ca 0.00 -0.19 0.20 0.00 1.00 0.00 0.00 64.86 65.86 2fuh h ILE 137 Cb 0.23 0.99 -0.14 0.00 -0.74 0.00 0.00 36.82 37.17 2fuh h ILE 137 CO 0.00 0.07 0.10 0.77 0.00 0.00 0.00 178.15 179.08 2fuh h SER 138 N 0.11 -0.22 0.72 1.72 4.64 -0.75 0.52 113.55 120.29 2fuh h SER 138 Ca 0.04 0.20 -0.24 0.00 -0.47 0.00 0.00 61.79 61.32 2fuh h SER 138 Cb 0.05 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2fuh h SER 138 CO -0.01 -0.17 -1.10 -0.09 -0.87 0.00 0.00 176.83 174.59 2fuh h ARG 139 N 0.15 0.19 -0.69 4.77 2.43 -1.23 -2.71 114.38 117.29 2fuh h ARG 139 Ca 0.47 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2fuh h ARG 139 Cb 0.88 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2fuh h ARG 139 CO -0.67 1.11 0.30 1.49 -1.51 0.00 0.00 179.97 180.69 2fuh h GLU 140 N 0.06 1.00 0.00 0.20 4.22 0.29 -1.74 114.58 118.61 2fuh h GLU 140 Ca -0.08 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.20 2fuh h GLU 140 Cb 1.82 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2fuh h GLU 140 CO 0.17 0.80 -0.28 0.91 -2.18 0.00 0.00 179.01 178.43 2fuh n TRP 141 N -4.31 0.55 0.24 0.92 7.02 0.15 -3.44 117.44 118.57 2fuh n TRP 141 Ca 0.06 0.16 -0.10 0.00 -1.02 0.00 0.00 57.50 56.60 2fuh n TRP 141 Cb 0.16 -0.70 -0.05 0.00 -2.42 0.00 0.00 31.31 28.30 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 -0.14 -0.99 2.02 -0.98 -3.05 112.91 109.78 2fuh h THR 142 Ca 0.00 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2fuh h THR 142 Cb 0.68 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2fuh h THR 142 CO 0.00 0.00 0.00 0.06 0.37 0.00 0.00 175.52 175.95 2fuh h GLN 143 N -1.15 0.19 -0.76 6.66 3.07 -1.66 3.00 115.11 124.46 2fuh h GLN 143 Ca -0.07 -0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.67 2fuh h GLN 143 Cb 0.51 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.99 2fuh h GLN 143 CO 0.11 0.21 0.50 -0.22 0.09 0.00 0.00 178.83 179.52 2fuh h LYS 144 N 0.19 0.94 0.00 0.06 3.64 -1.59 -3.30 116.57 116.51 2fuh h LYS 144 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2fuh h LYS 144 Cb 0.13 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2fuh h LYS 144 CO 0.00 0.62 -0.70 0.66 -2.27 0.00 0.00 179.45 177.76 2fuh n TYR 145 N -4.44 0.00 0.00 1.91 4.01 -0.93 -4.90 117.16 112.81 2fuh n TYR 145 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2fuh n TYR 145 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.77 -0.30 1.82 -0.72 0.00 1.00 -4.92 120.51 115.62 2fuh n ALA 146 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2fuh n ALA 146 Cb 0.35 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.67 2fuh n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17