#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug n SER 4 N 0.00 0.59 -0.28 0.00 2.88 -1.26 -3.47 113.62 112.08 2fug n SER 4 Ca 0.00 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.66 2fug n SER 4 Cb 0.00 -0.08 0.06 0.00 -0.75 0.00 0.00 64.21 63.44 2fug n SER 4 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2fug h SER 5 N 0.00 1.00 -0.26 -3.46 4.64 -2.00 -2.63 113.55 110.83 2fug h SER 5 Ca 0.00 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2fug h SER 5 Cb 0.66 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2fug h SER 5 CO 0.00 0.86 0.10 -0.33 -0.87 0.00 0.00 176.83 176.59 2fug h GLU 6 N 1.07 0.22 -0.25 4.77 5.08 -1.99 -1.52 114.58 121.96 2fug h GLU 6 Ca 0.26 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2fug h GLU 6 Cb 0.14 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 2fug h GLU 6 CO -0.03 0.14 -0.41 -0.09 -1.00 0.00 0.00 179.01 177.62 2fug h ARG 7 N 0.22 -0.39 -0.49 2.33 2.43 -1.64 -2.31 114.38 114.54 2fug h ARG 7 Ca 0.11 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2fug h ARG 7 Cb 0.07 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2fug h ARG 7 CO -0.11 -0.26 0.25 1.49 -1.51 0.00 0.00 179.97 179.83 2fug h GLU 8 N -0.41 0.47 -0.44 0.20 4.57 -1.20 -1.92 114.58 115.86 2fug h GLU 8 Ca 0.11 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 2fug h GLU 8 Cb 0.60 -0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 28.99 2fug h GLU 8 CO -0.47 0.31 -0.36 1.25 -1.18 0.00 0.00 179.01 178.56 2fug h LEU 9 N 0.49 -1.22 -0.64 1.64 5.85 -0.72 0.45 115.31 121.16 2fug h LEU 9 Ca 0.22 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 59.12 2fug h LEU 9 Cb 0.12 0.56 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2fug h LEU 9 CO -0.15 -0.33 0.30 1.88 -0.34 0.00 0.00 178.44 179.79 2fug h TYR 10 N -0.26 0.93 -0.61 1.25 0.05 -1.27 0.11 116.97 117.16 2fug h TYR 10 Ca 0.17 -0.05 0.15 0.00 0.05 0.00 0.00 58.73 59.05 2fug h TYR 10 Cb 0.56 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 2fug h TYR 10 CO -0.59 0.70 0.43 1.49 -1.05 0.00 0.00 178.16 179.14 2fug h GLU 11 N 0.88 0.15 0.01 4.88 4.81 -0.24 -0.01 114.58 125.07 2fug h GLU 11 Ca 0.22 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2fug h GLU 11 Cb 0.13 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.49 2fug h GLU 11 CO -0.03 0.10 -0.42 0.00 -0.73 0.00 0.00 179.01 177.94 2fug h ALA 12 N 1.70 0.03 -0.90 2.92 0.00 0.15 -3.10 119.26 120.06 2fug h ALA 12 Ca 0.29 -0.53 0.16 0.00 0.00 0.00 0.00 54.91 54.84 2fug h ALA 12 Cb 0.94 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2fug h ALA 12 CO -0.04 0.20 0.58 2.35 0.00 0.00 0.00 179.25 182.34 2fug h TRP 13 N -0.38 0.78 -0.28 0.00 2.91 0.88 0.36 115.95 120.22 2fug h TRP 13 Ca -0.06 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 2fug h TRP 13 Cb 1.18 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 2fug h TRP 13 CO 0.18 0.26 0.11 0.28 -1.03 0.00 0.00 178.44 178.24 2fug h VAL 14 N 0.63 1.18 0.77 2.65 2.07 -1.13 -1.12 116.25 121.30 2fug h VAL 14 Ca 0.46 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2fug h VAL 14 Cb 0.83 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2fug h VAL 14 CO -0.21 0.18 -0.37 -0.08 0.02 0.00 0.00 177.57 177.11 2fug h GLU 15 N 0.31 -1.00 -0.95 1.57 4.81 -0.55 -0.65 114.58 118.13 2fug h GLU 15 Ca 0.09 0.07 0.29 0.00 -0.13 0.00 0.00 59.36 59.68 2fug h GLU 15 Cb 0.18 0.23 -0.15 0.00 0.63 0.00 0.00 28.75 29.64 2fug h GLU 15 CO -0.01 -0.66 0.37 1.25 -0.73 0.00 0.00 179.01 179.24 2fug h LEU 16 N -1.08 0.18 0.49 1.64 7.12 -0.40 0.47 115.31 123.72 2fug h LEU 16 Ca -0.11 0.21 -0.02 0.00 0.13 0.00 0.00 57.88 58.09 2fug h LEU 16 Cb 0.80 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2fug h LEU 16 CO 0.17 -0.20 -0.24 -0.07 -0.13 0.00 0.00 178.44 177.98 2fug h LEU 17 N 0.21 -0.56 -1.00 2.25 3.38 -0.92 -2.35 115.31 116.33 2fug h LEU 17 Ca 0.66 -0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.88 2fug h LEU 17 Cb 1.46 0.14 -0.19 0.00 0.09 0.00 0.00 40.66 42.17 2fug h LEU 17 CO -0.68 -0.30 0.08 -0.24 0.09 0.00 0.00 178.44 177.39 2fug n SER 18 N -5.32 -0.06 0.30 -0.43 2.88 0.15 0.28 113.62 111.41 2fug n SER 18 Ca -0.11 1.69 -0.17 0.00 -1.33 0.00 0.00 58.87 58.95 2fug n SER 18 Cb 0.30 -0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 63.04 2fug n SER 18 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 2fug h TRP 19 N 0.00 -1.07 -0.89 0.66 6.55 -0.68 0.89 115.95 121.41 2fug h TRP 19 Ca 0.63 -0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.68 2fug h TRP 19 Cb 1.36 0.40 -0.12 0.00 -0.86 0.00 0.00 29.16 29.94 2fug h TRP 19 CO -0.45 -0.57 0.42 0.52 -1.05 0.00 0.00 178.44 177.30 2fug h MET 20 N -0.89 0.44 -0.24 0.49 2.86 0.35 0.56 114.93 118.50 2fug h MET 20 Ca -0.05 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2fug h MET 20 Cb 0.76 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2fug h MET 20 CO 0.00 0.29 0.01 0.00 1.06 0.00 0.00 176.91 178.27 2fug h ARG 21 N 0.46 0.41 -0.15 1.72 3.08 -0.67 -1.07 114.38 118.15 2fug h ARG 21 Ca 0.55 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 60.50 2fug h ARG 21 Cb 0.99 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2fug h ARG 21 CO -0.49 0.58 -0.07 1.49 -1.07 0.00 0.00 179.97 180.42 2fug h GLU 22 N 0.19 -0.04 0.00 0.04 4.81 0.19 -2.15 114.58 117.62 2fug h GLU 22 Ca 0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2fug h GLU 22 Cb 0.39 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2fug h GLU 22 CO 0.01 -0.03 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.20 2fug h TYR 23 N -0.04 0.00 0.00 0.92 5.03 0.04 -1.99 116.97 120.92 2fug h TYR 23 Ca 0.08 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 2fug h TYR 23 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.45 2fug h TYR 23 CO -0.21 0.15 -0.03 0.00 -1.32 0.00 0.00 178.16 176.75 2fug h ALA 24 N 1.85 -0.00 -0.07 1.82 0.00 -0.60 -2.35 119.26 119.92 2fug h ALA 24 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2fug h ALA 24 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2fug h ALA 24 CO 0.02 0.00 -0.26 0.37 0.00 0.00 0.00 179.25 179.38 2fug h GLN 25 N -0.96 0.11 -0.06 0.00 -0.00 -1.43 -1.17 115.11 111.60 2fug h GLN 25 Ca -0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 2fug h GLN 25 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.47 2fug h GLN 25 CO 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 178.83 178.97 2fug h ALA 26 N 1.63 0.11 -0.23 3.38 0.00 -1.45 -3.31 119.26 119.41 2fug h ALA 26 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2fug h ALA 26 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2fug h ALA 26 CO 0.04 0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.02 2fug n LYS 27 N -4.51 1.97 -2.01 0.00 4.76 -0.88 -4.94 118.16 112.54 2fug n LYS 27 Ca -0.08 -1.45 -0.11 0.00 -2.87 0.00 0.00 58.31 53.79 2fug n LYS 27 Cb 0.45 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 2fug n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fug n GLY 28 N 1.24 0.21 3.57 0.72 0.00 -0.55 -5.02 105.19 105.36 2fug n GLY 28 Ca 0.17 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2fug n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fug s VAL 29 N -2.52 3.45 -0.09 1.61 0.11 -0.58 -5.04 120.40 117.34 2fug s VAL 29 Ca 0.00 -0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 57.84 2fug s VAL 29 Cb 0.00 -2.50 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2fug s VAL 29 CO 0.00 0.35 1.11 -0.60 -3.33 0.00 0.00 175.10 172.63 2fug s ARG 30 N -1.51 4.38 -0.08 1.54 3.00 -1.19 -4.23 118.95 120.86 2fug s ARG 30 Ca 0.17 1.54 -0.05 0.00 -1.00 0.00 0.00 55.73 56.39 2fug s ARG 30 Cb -0.11 -3.56 -0.04 0.00 0.00 0.00 0.00 34.95 31.24 2fug s ARG 30 CO 0.08 -0.40 0.14 0.12 0.00 0.00 0.00 175.30 175.24 2fug s PHE 31 N 2.18 3.53 -0.11 5.12 2.19 -1.26 -0.73 117.98 128.90 2fug s PHE 31 Ca 0.52 0.43 -0.08 0.00 0.33 0.00 0.00 56.93 58.14 2fug s PHE 31 Cb -0.21 -1.88 0.04 0.00 -1.31 0.00 0.00 43.02 39.65 2fug s PHE 31 CO 0.19 0.68 0.27 -2.00 1.83 0.00 0.00 175.22 176.20 2fug s GLU 32 N -1.35 0.28 -0.18 10.12 2.12 -0.89 -4.98 118.70 123.82 2fug s GLU 32 Ca 0.19 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.71 2fug s GLU 32 Cb -0.12 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.29 2fug s GLU 32 CO 0.09 -0.10 1.18 0.21 -0.54 0.00 0.00 175.26 176.10 2fug s LYS 33 N 0.73 4.25 -0.04 4.30 2.20 -1.26 -2.08 119.74 127.83 2fug s LYS 33 Ca -0.05 1.56 -0.04 0.00 -0.36 0.00 0.00 55.97 57.09 2fug s LYS 33 Cb -0.06 -3.71 -0.27 0.00 -1.51 0.00 0.00 37.83 32.27 2fug s LYS 33 CO -0.05 -0.67 0.67 1.49 -0.36 0.00 0.00 175.35 176.44 2fug h GLU 34 N 7.92 0.25 -1.43 4.03 4.57 0.07 -3.49 114.58 126.50 2fug h GLU 34 Ca -0.24 -0.43 0.10 0.00 -1.18 0.00 0.00 59.36 57.61 2fug h GLU 34 Cb 1.09 0.16 -0.28 0.00 -0.16 0.00 0.00 28.75 29.56 2fug h GLU 34 CO 0.97 1.11 0.59 0.00 -1.18 0.00 0.00 179.01 180.49 2fug s ALA 35 N -2.59 -2.07 0.24 2.92 0.00 -0.99 -4.98 121.76 114.29 2fug s ALA 35 Ca -0.13 1.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 2fug s ALA 35 Cb 0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2fug s ALA 35 CO 0.83 -0.20 0.46 -0.51 0.00 0.00 0.00 175.76 176.35 2fug s ASP 36 N 0.21 6.42 0.06 0.00 1.11 -1.26 -1.76 116.67 121.44 2fug s ASP 36 Ca 0.04 0.56 -0.36 0.00 0.18 0.00 0.00 52.55 52.97 2fug s ASP 36 Cb -0.05 -2.08 -0.16 0.00 1.07 0.00 0.00 42.92 41.70 2fug s ASP 36 CO -0.09 -0.10 1.45 0.49 1.18 0.00 0.00 175.17 178.09 2fug n PHE 37 N -0.73 1.75 0.11 4.23 3.01 -0.16 -4.80 117.46 120.87 2fug n PHE 37 Ca -0.03 0.53 -0.02 0.00 1.01 0.00 0.00 57.45 58.93 2fug n PHE 37 Cb 0.54 -2.40 0.20 0.00 -0.01 0.00 0.00 39.48 37.81 2fug n PHE 37 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2fug h PRO 38 N 5.27 0.17 0.00 -1.08 0.11 -1.96 -1.26 132.00 133.25 2fug h PRO 38 Ca -0.47 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2fug h PRO 38 Cb 1.31 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2fug h PRO 38 CO 0.82 0.63 0.23 -3.47 -0.21 0.00 0.00 178.00 176.00 2fug n ASP 39 N -3.95 0.00 0.00 -2.05 -0.08 -1.26 -1.46 116.55 107.75 2fug n ASP 39 Ca -0.02 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2fug n ASP 39 Cb 0.54 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.83 2fug n ASP 39 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2fug n PHE 40 N -1.10 0.00 -0.28 -0.67 -0.00 -0.58 -4.28 117.46 110.55 2fug n PHE 40 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 2fug n PHE 40 Cb 0.23 0.10 0.24 0.00 -0.00 0.00 0.00 39.48 40.05 2fug n PHE 40 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2fug h ILE 41 N 0.00 0.56 -0.60 -2.13 2.04 -0.42 0.31 117.51 117.27 2fug h ILE 41 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2fug h ILE 41 Cb 0.71 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2fug h ILE 41 CO 0.00 0.08 0.00 -1.22 0.00 0.00 0.00 178.15 177.01 2fug n TYR 42 N -5.04 1.06 -2.36 1.37 4.01 -0.53 -4.90 117.16 110.77 2fug n TYR 42 Ca 0.18 -0.46 -0.37 0.00 -0.16 0.00 0.00 57.90 57.09 2fug n TYR 42 Cb 0.53 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.43 2fug n TYR 42 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2fug s ARG 43 N -1.47 3.86 -0.16 -0.72 3.00 0.11 -5.01 118.95 118.56 2fug s ARG 43 Ca 0.43 1.66 -0.08 0.00 -1.00 0.00 0.00 55.73 56.75 2fug s ARG 43 Cb 0.25 -2.41 0.06 0.00 0.00 0.00 0.00 34.95 32.85 2fug s ARG 43 CO 0.25 -0.44 0.37 -1.64 0.00 0.00 0.00 175.30 173.84 2fug s MET 44 N -2.70 0.33 0.00 5.12 1.00 -1.26 -4.87 119.30 116.92 2fug s MET 44 Ca 0.62 0.78 0.00 0.00 0.00 0.00 0.00 55.69 57.09 2fug s MET 44 Cb -0.26 0.01 0.00 0.00 0.00 0.00 0.00 34.83 34.59 2fug s MET 44 CO 0.31 -0.18 0.00 -0.85 0.00 0.00 0.00 175.02 174.30 2fug n GLU 45 N 4.52 -1.06 -3.12 2.03 0.00 -1.26 -4.81 120.64 116.95 2fug n GLU 45 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.78 2fug n GLU 45 Cb 0.53 -2.69 0.02 0.00 0.00 0.00 0.00 31.44 29.30 2fug n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2fug s ARG 46 N -0.99 2.65 1.01 3.44 0.52 -1.26 -5.11 118.95 119.22 2fug s ARG 46 Ca 0.00 -1.40 -0.15 0.00 -0.52 0.00 0.00 55.73 53.67 2fug s ARG 46 Cb 0.00 -2.66 0.20 0.00 0.52 0.00 0.00 34.95 33.00 2fug s ARG 46 CO 0.00 -0.41 1.15 -1.25 0.02 0.00 0.00 175.30 174.81 2fug s PRO 47 N -4.39 0.31 0.00 3.54 0.04 -1.26 -5.07 135.00 128.16 2fug s PRO 47 Ca 0.55 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2fug s PRO 47 Cb -0.08 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2fug s PRO 47 CO 0.33 -2.73 0.00 0.98 0.04 0.00 0.00 177.00 175.62 2fug n TYR 48 N -4.10 0.00 -0.78 0.56 4.19 -1.26 -4.96 117.16 110.81 2fug n TYR 48 Ca 0.09 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.38 2fug n TYR 48 Cb 0.59 0.00 0.12 0.00 0.49 0.00 0.00 39.34 40.54 2fug n TYR 48 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2fug n ASP 49 N 0.00 2.43 -4.75 2.98 5.68 -1.26 -5.04 116.55 116.60 2fug n ASP 49 Ca 0.00 -2.79 -0.40 0.00 -0.50 0.00 0.00 54.79 51.11 2fug n ASP 49 Cb 0.00 -0.33 -0.06 0.00 -1.14 0.00 0.00 41.12 39.59 2fug n ASP 49 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2fug s LEU 50 N -2.36 4.61 0.01 -2.12 0.20 -1.26 -5.02 118.68 112.75 2fug s LEU 50 Ca 0.25 1.95 -0.03 0.00 0.69 0.00 0.00 54.13 56.99 2fug s LEU 50 Cb 0.21 -3.66 -0.01 0.00 -0.43 0.00 0.00 46.19 42.31 2fug s LEU 50 CO 0.03 0.12 1.05 -0.65 -0.29 0.00 0.00 176.35 176.62 2fug h PRO 51 N 4.03 -0.01 -5.60 0.98 0.11 -1.96 -3.45 132.00 126.09 2fug h PRO 51 Ca -0.45 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.03 2fug h PRO 51 Cb 1.20 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 2fug h PRO 51 CO 0.68 -0.01 -0.52 0.95 -0.21 0.00 0.00 178.00 178.89 2fug s THR 52 N -3.24 1.78 -0.45 -1.15 -4.23 -1.26 -5.02 115.64 102.08 2fug s THR 52 Ca -0.01 -1.87 0.20 0.00 -1.18 0.00 0.00 61.69 58.83 2fug s THR 52 Cb 0.01 -2.65 -0.27 0.00 1.34 0.00 0.00 72.50 70.93 2fug s THR 52 CO 0.06 0.00 0.63 0.35 -0.54 0.00 0.00 174.62 175.12 2fug n THR 53 N -1.21 0.00 -2.51 3.99 -2.24 -1.26 -4.94 114.28 106.11 2fug n THR 53 Ca -0.08 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2fug n THR 53 Cb 0.66 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2fug n THR 53 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2fug s ILE 54 N -3.18 4.34 -0.01 2.28 2.07 -1.26 -0.99 121.20 124.45 2fug s ILE 54 Ca -0.01 1.66 0.02 0.00 -1.41 0.00 0.00 60.65 60.92 2fug s ILE 54 Cb 0.14 -4.07 -0.03 0.00 0.13 0.00 0.00 42.46 38.63 2fug s ILE 54 CO 0.84 0.06 0.02 0.80 -1.91 0.00 0.00 174.94 174.75 2fug n MET 55 N 4.61 2.08 -3.56 3.50 0.00 -0.78 -4.82 117.12 118.16 2fug n MET 55 Ca 0.09 -0.01 -0.20 0.00 -0.00 0.00 0.00 57.70 57.59 2fug n MET 55 Cb 0.47 -1.05 -0.14 0.00 0.00 0.00 0.00 33.22 32.50 2fug n MET 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2fug s THR 56 N -2.09 -0.26 0.51 1.12 2.01 -0.73 -2.62 115.64 113.58 2fug s THR 56 Ca -0.01 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2fug s THR 56 Cb 0.01 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2fug s THR 56 CO 0.08 -0.15 0.26 0.00 -0.69 0.00 0.00 174.62 174.13 2fug s ALA 57 N 2.28 4.18 0.10 7.40 0.00 -0.13 0.79 121.76 136.37 2fug s ALA 57 Ca 0.05 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 2fug s ALA 57 Cb -0.15 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.55 2fug s ALA 57 CO -0.10 -0.28 0.85 -1.54 0.00 0.00 0.00 175.76 174.68 2fug s SER 58 N -4.11 -0.33 -0.25 0.00 1.04 -0.88 -2.09 113.70 107.09 2fug s SER 58 Ca 0.29 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.57 2fug s SER 58 Cb -0.00 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2fug s SER 58 CO 0.17 -0.83 -0.11 -0.76 0.98 0.00 0.00 173.24 172.70 2fug s LEU 59 N -2.71 3.15 0.21 2.42 1.43 -0.86 -2.09 118.68 120.23 2fug s LEU 59 Ca 0.07 -1.27 0.07 0.00 -1.03 0.00 0.00 54.13 51.97 2fug s LEU 59 Cb -0.02 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2fug s LEU 59 CO -0.05 -0.18 0.09 -0.44 0.23 0.00 0.00 176.35 176.01 2fug s SER 60 N 1.17 5.15 0.00 2.29 0.01 0.09 -1.58 113.70 120.84 2fug s SER 60 Ca -0.07 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2fug s SER 60 Cb -0.19 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2fug s SER 60 CO -0.06 0.03 0.00 -0.90 0.41 0.00 0.00 173.24 172.72 2fug n ASP 61 N -0.65 0.00 -0.04 2.44 5.68 -0.94 -3.18 116.55 119.86 2fug n ASP 61 Ca -0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.07 2fug n ASP 61 Cb 0.57 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.46 2fug n ASP 61 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2fug h GLY 62 N 0.00 0.35 2.00 6.12 0.00 -1.89 -3.18 103.07 106.47 2fug h GLY 62 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2fug h GLY 62 CO 0.00 0.38 0.00 1.41 0.00 0.00 0.00 176.54 178.33 2fug h LEU 63 N -0.12 0.00 0.00 3.11 4.07 -1.94 -3.48 115.31 116.95 2fug h LEU 63 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2fug h LEU 63 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2fug h LEU 63 CO 0.05 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.02 2fug n GLY 64 N 0.96 3.38 2.47 0.83 0.00 -1.20 -5.07 105.19 106.56 2fug n GLY 64 Ca 0.04 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.59 2fug n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fug n GLU 65 N 0.00 0.00 -1.96 1.61 -0.58 -1.26 -3.57 120.64 114.88 2fug n GLU 65 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2fug n GLU 65 Cb 0.00 -0.99 0.03 0.00 -0.57 0.00 0.00 31.44 29.91 2fug n GLU 65 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2fug s PRO 66 N 2.04 3.00 -0.02 3.49 0.02 -1.26 -2.21 135.00 140.05 2fug s PRO 66 Ca 0.70 1.54 0.04 0.00 0.02 0.00 0.00 61.00 63.29 2fug s PRO 66 Cb -0.99 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 31.62 2fug s PRO 66 CO 0.54 -1.12 0.87 1.97 -0.33 0.00 0.00 177.00 178.93 2fug n PHE 67 N -1.92 0.00 -3.50 6.54 1.16 -0.61 -4.63 117.46 114.49 2fug n PHE 67 Ca 0.11 -0.30 0.00 0.00 -1.87 0.00 0.00 57.45 55.39 2fug n PHE 67 Cb 0.51 -0.05 -0.05 0.00 -1.61 0.00 0.00 39.48 38.28 2fug n PHE 67 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2fug s LEU 68 N -0.78 -0.49 -0.08 5.98 1.98 -1.22 -4.54 118.68 119.53 2fug s LEU 68 Ca 0.06 0.72 0.03 0.00 -2.89 0.00 0.00 54.13 52.05 2fug s LEU 68 Cb 0.05 1.62 0.01 0.00 0.66 0.00 0.00 46.19 48.54 2fug s LEU 68 CO 0.01 -0.11 -0.16 -0.76 -1.89 0.00 0.00 176.35 173.44 2fug s LEU 69 N 1.90 1.78 -0.02 -0.68 1.43 -0.41 -2.03 118.68 120.64 2fug s LEU 69 Ca -0.05 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2fug s LEU 69 Cb -0.05 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 2fug s LEU 69 CO -0.16 0.07 -0.20 0.00 0.23 0.00 0.00 176.35 176.29 2fug s ALA 70 N 0.58 1.72 -0.27 4.21 0.00 -0.89 -1.09 121.76 126.02 2fug s ALA 70 Ca -0.16 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.70 2fug s ALA 70 Cb -0.16 -0.46 0.08 0.00 0.00 0.00 0.00 23.12 22.57 2fug s ALA 70 CO 0.05 0.40 0.73 0.16 0.00 0.00 0.00 175.76 177.10 2fug s ASP 71 N -0.38 -0.77 0.24 0.00 -4.77 -0.45 -0.96 116.67 109.58 2fug s ASP 71 Ca 0.05 1.43 0.07 0.00 -3.30 0.00 0.00 52.55 50.80 2fug s ASP 71 Cb -0.09 1.42 -0.04 0.00 -1.09 0.00 0.00 42.92 43.13 2fug s ASP 71 CO -0.00 -0.24 0.18 0.54 0.70 0.00 0.00 175.17 176.34 2fug s VAL 72 N 0.61 4.41 0.19 2.11 0.11 -1.08 -0.29 120.40 126.46 2fug s VAL 72 Ca -0.02 -1.37 -0.27 0.00 -2.93 0.00 0.00 61.98 57.40 2fug s VAL 72 Cb -0.05 -3.36 -0.08 0.00 -1.53 0.00 0.00 36.38 31.36 2fug s VAL 72 CO -0.03 -0.31 0.83 -0.94 -3.33 0.00 0.00 175.10 171.32 2fug s SER 73 N -3.70 7.46 0.72 3.54 1.04 -0.92 -4.91 113.70 116.93 2fug s SER 73 Ca 0.32 1.74 -0.16 0.00 0.48 0.00 0.00 55.95 58.33 2fug s SER 73 Cb -0.08 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2fug s SER 73 CO 0.24 0.19 0.93 -0.81 0.98 0.00 0.00 173.24 174.77 2fug n PRO 74 N 1.53 0.50 0.27 4.02 -0.04 -1.26 -4.87 135.00 135.15 2fug n PRO 74 Ca -0.04 0.22 0.18 0.00 -0.04 0.00 0.00 63.50 63.81 2fug n PRO 74 Cb 0.48 -2.19 0.86 0.00 -0.04 0.00 0.00 33.50 32.62 2fug n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2fug h ARG 75 N -0.25 0.00 -0.62 0.54 0.11 -1.97 -1.81 114.38 110.38 2fug h ARG 75 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2fug h ARG 75 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2fug h ARG 75 CO 0.47 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.26 2fug n HIS 76 N -3.20 0.83 -3.04 4.08 8.25 -1.26 -4.96 115.22 115.91 2fug n HIS 76 Ca 0.00 -0.41 -0.19 0.00 -0.26 0.00 0.00 57.72 56.86 2fug n HIS 76 Cb 0.37 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.49 2fug n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2fug s ALA 77 N -1.17 4.25 0.37 -1.41 0.00 -0.68 -5.12 121.76 118.00 2fug s ALA 77 Ca 0.44 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2fug s ALA 77 Cb 0.24 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2fug s ALA 77 CO 0.31 -0.33 0.21 0.21 0.00 0.00 0.00 175.76 176.17 2fug s LYS 78 N -4.41 2.41 -1.26 0.00 2.47 -1.26 -4.63 119.74 113.06 2fug s LYS 78 Ca 0.52 -1.58 -0.07 0.00 -1.56 0.00 0.00 55.97 53.29 2fug s LYS 78 Cb -0.10 -2.21 -0.01 0.00 -1.46 0.00 0.00 37.83 34.05 2fug s LYS 78 CO 0.34 0.00 0.69 1.28 0.16 0.00 0.00 175.35 177.82 2fug n LEU 79 N -1.27 -3.06 -4.72 5.43 4.32 -1.26 -4.86 117.00 111.58 2fug n LEU 79 Ca -0.01 -0.91 -0.39 0.00 -0.02 0.00 0.00 56.01 54.68 2fug n LEU 79 Cb 0.62 -2.54 0.03 0.00 -1.62 0.00 0.00 43.42 39.91 2fug n LEU 79 CO 0.43 0.41 0.92 0.29 -1.22 0.00 0.00 177.39 178.22 2fug n LYS 80 N -4.19 1.77 -3.59 3.23 5.02 -1.26 -5.02 118.16 114.12 2fug n LYS 80 Ca -0.22 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 56.64 2fug n LYS 80 Cb 0.65 -2.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 2fug n LYS 80 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2fug s ARG 81 N -2.61 0.42 -0.18 1.97 3.03 -1.26 -4.95 118.95 115.37 2fug s ARG 81 Ca 0.67 0.01 -0.02 0.00 2.03 0.00 0.00 55.73 58.43 2fug s ARG 81 Cb -0.45 0.20 -0.01 0.00 -1.03 0.00 0.00 34.95 33.66 2fug s ARG 81 CO 0.53 -0.15 -0.10 -1.50 -1.13 0.00 0.00 175.30 172.95 2fug s ILE 82 N -1.57 3.02 0.23 4.99 2.07 -0.89 -2.17 121.20 126.88 2fug s ILE 82 Ca 0.04 -0.63 0.11 0.00 -1.41 0.00 0.00 60.65 58.76 2fug s ILE 82 Cb -0.01 -2.32 -0.05 0.00 0.13 0.00 0.00 42.46 40.22 2fug s ILE 82 CO -0.03 0.48 -0.21 -0.83 -1.91 0.00 0.00 174.94 172.44 2fug s GLY 83 N 1.03 1.78 0.02 1.50 0.00 0.60 -1.16 107.32 111.08 2fug s GLY 83 Ca -0.01 -1.72 0.09 0.00 0.00 0.00 0.00 44.72 43.08 2fug s GLY 83 CO -0.02 -1.77 -0.26 1.08 0.00 0.00 0.00 173.10 172.14 2fug s LEU 84 N -3.02 2.12 -0.10 0.66 1.43 -0.29 -1.34 118.68 118.14 2fug s LEU 84 Ca 0.25 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2fug s LEU 84 Cb -0.07 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2fug s LEU 84 CO 0.12 0.28 0.23 -0.60 0.23 0.00 0.00 176.35 176.61 2fug s ARG 85 N -0.99 0.18 -0.38 1.70 3.00 -0.25 0.10 118.95 122.31 2fug s ARG 85 Ca 0.11 0.54 -0.15 0.00 -1.00 0.00 0.00 55.73 55.23 2fug s ARG 85 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 34.95 34.73 2fug s ARG 85 CO 0.01 -0.19 0.33 -0.51 0.00 0.00 0.00 175.30 174.94 2fug s LEU 86 N 1.46 4.73 1.03 -0.88 1.43 -0.27 -1.29 118.68 124.89 2fug s LEU 86 Ca -0.07 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 2fug s LEU 86 Cb -0.11 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 43.95 2fug s LEU 86 CO -0.08 -0.39 0.34 -2.65 0.23 0.00 0.00 176.35 173.80 2fug n PRO 87 N 5.29 -0.97 0.00 1.29 -0.02 -1.26 -3.03 135.00 136.30 2fug n PRO 87 Ca -0.10 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2fug n PRO 87 Cb 0.48 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2fug n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2fug n ARG 88 N -2.23 0.00 -3.88 -0.52 1.74 -1.26 -4.70 116.66 105.80 2fug n ARG 88 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 2fug n ARG 88 Cb 0.57 -1.92 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 2fug n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fug s ALA 89 N 0.00 2.76 0.00 7.54 0.00 -1.17 -5.01 121.76 125.88 2fug s ALA 89 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 51.96 49.15 2fug s ALA 89 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2fug s ALA 89 CO 0.00 -1.94 0.17 -2.39 0.00 0.00 0.00 175.76 171.60 2fug n HIS 90 N 3.60 0.00 -3.57 0.00 1.44 -1.26 -4.67 115.22 110.76 2fug n HIS 90 Ca 0.05 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.52 2fug n HIS 90 Cb 0.35 -0.10 -0.16 0.00 0.12 0.00 0.00 29.99 30.21 2fug n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2fug s ILE 91 N 0.25 -0.14 -0.03 0.61 1.01 -1.26 -5.07 121.20 116.57 2fug s ILE 91 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.48 2fug s ILE 91 Cb 0.00 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 2fug s ILE 91 CO 0.00 -0.32 -0.23 -1.00 0.00 0.00 0.00 174.94 173.38 2fug s HIS 92 N 2.18 2.15 -0.05 3.97 3.76 -1.26 -1.11 115.29 124.93 2fug s HIS 92 Ca 0.04 -0.49 0.06 0.00 -0.15 0.00 0.00 55.06 54.51 2fug s HIS 92 Cb -0.16 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.12 2fug s HIS 92 CO -0.14 -0.10 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.93 2fug s LEU 93 N -0.39 2.01 -0.17 0.89 1.02 0.28 -4.98 118.68 117.35 2fug s LEU 93 Ca 0.04 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.75 2fug s LEU 93 Cb -0.11 -1.20 0.01 0.00 0.02 0.00 0.00 46.19 44.91 2fug s LEU 93 CO 0.01 0.22 -0.16 -1.00 0.02 0.00 0.00 176.35 175.44 2fug s HIS 94 N -0.16 2.79 -0.19 0.29 3.76 -1.26 -1.14 115.29 119.38 2fug s HIS 94 Ca -0.02 -1.26 -0.03 0.00 -0.15 0.00 0.00 55.06 53.60 2fug s HIS 94 Cb -0.12 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 2fug s HIS 94 CO 0.02 -0.61 -0.05 0.00 -0.85 0.00 0.00 174.74 173.25 2fug s ALA 95 N 1.07 2.82 0.50 -1.40 0.00 -0.31 -4.47 121.76 119.96 2fug s ALA 95 Ca -0.01 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.96 2fug s ALA 95 Cb -0.14 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.39 2fug s ALA 95 CO -0.05 -0.21 0.43 -1.01 0.00 0.00 0.00 175.76 174.92 2fug s HIS 96 N 1.10 2.01 -0.02 0.00 3.76 -0.64 -2.10 115.29 119.40 2fug s HIS 96 Ca 0.01 -0.70 0.08 0.00 -0.15 0.00 0.00 55.06 54.30 2fug s HIS 96 Cb -0.15 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 2fug s HIS 96 CO -0.00 -0.40 -0.25 -0.47 -0.85 0.00 0.00 174.74 172.76 2fug s TYR 97 N -2.65 2.29 -0.04 1.40 5.04 -1.26 -2.67 117.35 119.45 2fug s TYR 97 Ca 0.42 -0.46 0.02 0.00 -2.44 0.00 0.00 57.07 54.61 2fug s TYR 97 Cb -0.03 -1.48 0.01 0.00 0.35 0.00 0.00 41.96 40.82 2fug s TYR 97 CO 0.25 -0.06 -0.09 -1.21 -1.34 0.00 0.00 175.55 173.11 2fug s GLU 98 N -0.55 1.14 0.21 4.97 0.41 -0.55 -5.00 118.70 119.33 2fug s GLU 98 Ca 0.08 -0.28 -0.32 0.00 -0.41 0.00 0.00 54.97 54.04 2fug s GLU 98 Cb -0.10 -1.03 -0.12 0.00 -1.78 0.00 0.00 34.13 31.10 2fug s GLU 98 CO -0.01 0.04 1.71 -1.25 -0.49 0.00 0.00 175.26 175.27 2fug s PRO 99 N 0.51 4.13 0.00 0.39 0.04 -1.26 -0.02 135.00 138.78 2fug s PRO 99 Ca -0.09 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2fug s PRO 99 Cb -0.12 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2fug s PRO 99 CO 0.01 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2fug n GLY 100 N 3.89 2.10 0.25 0.56 0.00 -1.26 -4.49 105.19 106.24 2fug n GLY 100 Ca 0.15 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2fug n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fug h LYS 101 N 0.00 0.07 0.00 1.61 1.79 -2.02 -3.48 116.57 114.54 2fug h LYS 101 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2fug h LYS 101 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2fug h LYS 101 CO 0.00 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 2fug n GLY 102 N -1.24 -0.05 3.60 3.86 0.00 0.97 -4.85 105.19 107.48 2fug n GLY 102 Ca -0.02 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2fug n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fug s LEU 103 N 0.00 3.60 0.31 0.99 2.96 -1.26 -1.48 118.68 123.80 2fug s LEU 103 Ca 0.00 0.86 0.08 0.00 -0.22 0.00 0.00 54.13 54.85 2fug s LEU 103 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 2fug s LEU 103 CO 0.00 -1.42 -0.08 0.68 -1.32 0.00 0.00 176.35 174.20 2fug s VAL 104 N 5.42 1.97 -0.40 1.68 -7.23 -1.09 -0.32 120.40 120.43 2fug s VAL 104 Ca 0.61 -2.18 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2fug s VAL 104 Cb -0.14 -2.54 0.45 0.00 0.56 0.00 0.00 36.38 34.71 2fug s VAL 104 CO 0.32 -0.26 1.38 0.35 -0.31 0.00 0.00 175.10 176.59 2fug n THR 105 N -0.69 2.77 0.00 5.32 -2.24 0.68 -1.62 114.28 118.51 2fug n THR 105 Ca -0.05 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.71 2fug n THR 105 Cb 0.63 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2fug n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fug n GLY 106 N -0.73 1.46 0.00 3.38 0.00 -1.26 -4.61 105.19 103.43 2fug n GLY 106 Ca 0.48 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2fug n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fug n LYS 107 N 0.00 1.31 -3.16 1.61 5.02 -1.26 -5.02 118.16 116.67 2fug n LYS 107 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2fug n LYS 107 Cb 0.00 -0.89 -0.05 0.00 -0.02 0.00 0.00 35.03 34.07 2fug n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2fug s ILE 108 N -1.57 5.08 0.58 -0.18 1.09 -1.26 -5.02 121.20 119.92 2fug s ILE 108 Ca 0.00 1.25 -0.19 0.00 -1.10 0.00 0.00 60.65 60.61 2fug s ILE 108 Cb 0.00 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 2fug s ILE 108 CO 0.00 0.30 1.16 -2.84 -0.10 0.00 0.00 174.94 173.46 2fug s PRO 109 N 0.63 3.11 -0.63 2.79 0.02 -1.26 -0.23 135.00 139.43 2fug s PRO 109 Ca 0.33 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 62.97 2fug s PRO 109 Cb -0.17 -1.96 0.16 0.00 0.02 0.00 0.00 34.50 32.55 2fug s PRO 109 CO 0.15 -1.06 0.48 -1.17 -0.33 0.00 0.00 177.00 175.07 2fug s LEU 110 N -4.04 5.63 0.30 -5.54 2.96 0.57 -4.76 118.68 113.80 2fug s LEU 110 Ca 0.74 -2.63 -0.01 0.00 -0.22 0.00 0.00 54.13 52.01 2fug s LEU 110 Cb -0.26 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2fug s LEU 110 CO 0.31 -0.47 0.51 0.42 -1.32 0.00 0.00 176.35 175.80 2fug s THR 111 N 0.26 5.11 0.20 3.68 -4.23 -1.26 -4.87 115.64 114.54 2fug s THR 111 Ca 0.15 -0.34 -0.16 0.00 -1.18 0.00 0.00 61.69 60.16 2fug s THR 111 Cb -0.19 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.05 2fug s THR 111 CO -0.04 -0.42 1.62 0.50 -0.54 0.00 0.00 174.62 175.74 2fug h LYS 112 N 1.24 -0.05 0.11 3.99 3.64 -1.99 0.11 116.57 123.62 2fug h LYS 112 Ca -0.49 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2fug h LYS 112 Cb 1.21 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 2fug h LYS 112 CO 0.64 -0.03 -0.53 0.93 -2.27 0.00 0.00 179.45 178.18 2fug h GLU 113 N -0.05 -0.73 -0.50 1.90 4.39 -1.99 -0.90 114.58 116.69 2fug h GLU 113 Ca 0.28 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.13 2fug h GLU 113 Cb 0.49 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.20 2fug h GLU 113 CO -0.65 -0.48 -0.20 -0.09 -1.16 0.00 0.00 179.01 176.43 2fug h ARG 114 N -0.75 -0.08 0.04 2.33 2.43 -1.46 0.36 114.38 117.24 2fug h ARG 114 Ca -0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2fug h ARG 114 Cb 0.76 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2fug h ARG 114 CO -0.30 -0.05 -0.29 0.35 -1.51 0.00 0.00 179.97 178.17 2fug h PHE 115 N -0.08 -0.86 -0.82 2.20 3.57 -0.33 0.15 116.94 120.77 2fug h PHE 115 Ca 0.24 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.96 2fug h PHE 115 Cb 0.45 0.37 -0.14 0.00 2.79 0.00 0.00 35.95 39.42 2fug h PHE 115 CO -0.49 -0.33 0.03 0.74 -2.23 0.00 0.00 178.31 176.04 2fug h PHE 116 N -0.40 -0.02 -0.84 0.41 -1.00 -0.45 0.78 116.94 115.42 2fug h PHE 116 Ca 0.00 0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.91 2fug h PHE 116 Cb 0.41 0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.05 2fug h PHE 116 CO -0.41 -0.28 0.51 0.00 -1.61 0.00 0.00 178.31 176.52 2fug h ALA 117 N 1.78 1.17 0.19 2.45 0.00 -0.02 1.00 119.26 125.84 2fug h ALA 117 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2fug h ALA 117 Cb 0.87 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2fug h ALA 117 CO -0.73 0.22 -0.09 1.25 0.00 0.00 0.00 179.25 179.90 2fug h LEU 118 N 0.91 -0.22 -0.80 0.00 5.85 0.31 -1.19 115.31 120.18 2fug h LEU 118 Ca 0.38 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.95 2fug h LEU 118 Cb 0.23 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2fug h LEU 118 CO -0.19 0.16 0.43 0.00 -0.34 0.00 0.00 178.44 178.50 2fug h ALA 119 N 0.05 1.14 0.05 1.25 0.00 0.45 -0.50 119.26 121.70 2fug h ALA 119 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fug h ALA 119 Cb 0.46 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2fug h ALA 119 CO 0.04 0.00 -0.04 0.22 0.00 0.00 0.00 179.25 179.48 2fug h ASP 120 N 0.69 -0.11 -0.87 0.00 3.58 0.12 0.22 116.42 120.05 2fug h ASP 120 Ca 0.40 0.01 0.21 0.00 0.42 0.00 0.00 57.03 58.06 2fug h ASP 120 Cb 0.44 0.03 -0.16 0.00 1.72 0.00 0.00 39.33 41.37 2fug h ASP 120 CO -0.29 -0.06 -0.05 0.03 -2.88 0.00 0.00 179.24 176.00 2fug h ARG 121 N -0.09 0.04 -0.09 0.28 2.47 -1.00 0.34 114.38 116.34 2fug h ARG 121 Ca -0.01 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2fug h ARG 121 Cb 0.07 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2fug h ARG 121 CO 0.00 0.03 0.02 0.00 0.56 0.00 0.00 179.97 180.58 2fug h ALA 122 N 1.85 0.09 -0.77 0.04 0.00 -0.95 -2.25 119.26 117.28 2fug h ALA 122 Ca 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2fug h ALA 122 Cb 0.87 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2fug h ALA 122 CO -0.82 -0.44 0.37 -0.09 0.00 0.00 0.00 179.25 178.27 2fug h ARG 123 N 0.07 1.11 -0.06 0.00 2.43 0.26 -1.25 114.38 116.93 2fug h ARG 123 Ca 0.04 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2fug h ARG 123 Cb 0.03 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 2fug h ARG 123 CO -0.05 0.86 -0.31 0.93 -1.51 0.00 0.00 179.97 179.90 2fug h GLU 124 N 1.08 -0.41 0.21 0.20 4.39 -0.08 -2.65 114.58 117.32 2fug h GLU 124 Ca 0.26 0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.68 2fug h GLU 124 Cb 0.12 0.09 0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2fug h GLU 124 CO -0.03 -0.27 -1.41 0.00 -1.16 0.00 0.00 179.01 176.13 2fug h ALA 125 N 0.36 -0.05 0.00 3.43 0.00 -1.35 -3.39 119.26 118.26 2fug h ALA 125 Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2fug h ALA 125 Cb 0.54 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2fug h ALA 125 CO -0.30 0.72 -0.63 1.28 0.00 0.00 0.00 179.25 180.32 2fug n LEU 126 N -3.79 0.64 -4.64 0.00 4.77 -0.48 -4.90 117.00 108.60 2fug n LEU 126 Ca -0.19 0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 2fug n LEU 126 Cb 1.03 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 2fug n LEU 126 CO 0.54 -0.01 1.64 0.00 -1.33 0.00 0.00 177.39 178.23 2fug s ALA 127 N -3.14 3.27 -0.08 -1.18 0.00 -1.00 -4.86 121.76 114.78 2fug s ALA 127 Ca 0.07 1.02 0.14 0.00 0.00 0.00 0.00 51.96 53.19 2fug s ALA 127 Cb 0.14 -3.91 0.08 0.00 0.00 0.00 0.00 23.12 19.43 2fug s ALA 127 CO 0.72 -2.00 1.45 0.74 0.00 0.00 0.00 175.76 176.67 2fug h PHE 128 N 11.96 0.00 0.00 0.00 -1.00 -1.90 -3.50 116.94 122.50 2fug h PHE 128 Ca -0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2fug h PHE 128 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2fug h PHE 128 CO 0.94 0.57 0.00 0.00 -1.61 0.00 0.00 178.31 178.22