#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n SER 4 N 0.00 2.87 0.24 0.00 3.41 -1.26 -3.81 113.62 115.07 3ias n SER 4 Ca 0.00 -1.92 0.08 0.00 -0.26 0.00 0.00 58.87 56.77 3ias n SER 4 Cb 0.00 -0.07 0.58 0.00 -0.26 0.00 0.00 64.21 64.46 3ias n SER 4 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ias h SER 5 N 4.23 0.00 -0.24 4.04 4.64 -1.99 -2.42 113.55 121.82 3ias h SER 5 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3ias h SER 5 Cb 0.91 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 3ias h SER 5 CO 0.00 0.17 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.73 3ias h GLU 6 N 0.00 -0.02 -0.88 4.77 5.08 -1.98 0.11 114.58 121.66 3ias h GLU 6 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3ias h GLU 6 Cb 0.35 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3ias h GLU 6 CO 0.02 -0.02 0.55 -0.09 -1.00 0.00 0.00 179.01 178.48 3ias h ARG 7 N -0.03 0.98 -0.08 2.33 2.43 -1.69 -2.07 114.38 116.25 3ias h ARG 7 Ca 0.12 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 3ias h ARG 7 Cb 0.21 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3ias h ARG 7 CO -0.26 0.65 -0.43 1.49 -1.51 0.00 0.00 179.97 179.91 3ias h GLU 8 N 1.01 0.19 0.22 0.20 4.57 -1.16 -2.24 114.58 117.36 3ias h GLU 8 Ca 0.38 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 3ias h GLU 8 Cb 0.15 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3ias h GLU 8 CO -0.17 0.59 -0.10 1.25 -1.18 0.00 0.00 179.01 179.39 3ias h LEU 9 N 0.16 -0.25 -1.06 1.64 5.85 -0.29 -0.65 115.31 120.71 3ias h LEU 9 Ca 0.01 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3ias h LEU 9 Cb 0.82 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3ias h LEU 9 CO 0.06 -0.06 0.63 1.88 -0.34 0.00 0.00 178.44 180.62 3ias h TYR 10 N -0.43 1.18 -0.84 1.25 0.05 -1.44 0.58 116.97 117.33 3ias h TYR 10 Ca -0.03 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.85 3ias h TYR 10 Cb 0.33 -0.40 -0.06 0.00 1.01 0.00 0.00 36.73 37.60 3ias h TYR 10 CO -0.02 0.70 0.51 1.49 -1.05 0.00 0.00 178.16 179.78 3ias h GLU 11 N 1.23 0.88 -0.17 4.88 4.81 -1.04 0.27 114.58 125.44 3ias h GLU 11 Ca 0.38 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 3ias h GLU 11 Cb -0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3ias h GLU 11 CO -0.11 0.58 -0.51 0.00 -0.73 0.00 0.00 179.01 178.24 3ias h ALA 12 N 1.42 0.79 -0.31 2.92 0.00 0.10 -2.66 119.26 121.52 3ias h ALA 12 Ca 0.38 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 12 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ias h ALA 12 CO -0.20 0.68 0.05 2.35 0.00 0.00 0.00 179.25 182.14 3ias h TRP 13 N 0.38 0.46 -0.66 0.00 2.91 0.18 0.35 115.95 119.56 3ias h TRP 13 Ca 0.01 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3ias h TRP 13 Cb 1.03 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 3ias h TRP 13 CO 0.04 0.42 0.37 0.28 -1.03 0.00 0.00 178.44 178.52 3ias h VAL 14 N 0.45 1.21 0.34 2.65 2.07 -0.67 -2.27 116.25 120.03 3ias h VAL 14 Ca 0.11 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3ias h VAL 14 Cb 0.21 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3ias h VAL 14 CO -0.00 0.22 -0.16 -0.08 0.02 0.00 0.00 177.57 177.57 3ias h GLU 15 N 0.91 -0.44 -1.10 1.57 4.57 -0.77 -1.71 114.58 117.60 3ias h GLU 15 Ca 0.23 0.03 0.30 0.00 -1.18 0.00 0.00 59.36 58.75 3ias h GLU 15 Cb 0.03 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.63 3ias h GLU 15 CO -0.04 -0.17 0.73 1.25 -1.18 0.00 0.00 179.01 179.60 3ias h LEU 16 N -0.67 0.32 -0.16 1.64 7.12 -0.30 0.49 115.31 123.76 3ias h LEU 16 Ca -0.05 0.07 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 3ias h LEU 16 Cb 0.47 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 3ias h LEU 16 CO 0.08 0.04 -0.33 -0.07 -0.13 0.00 0.00 178.44 178.02 3ias h LEU 17 N 0.26 0.56 -1.32 2.25 3.38 -1.15 -2.50 115.31 116.79 3ias h LEU 17 Ca 0.61 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3ias h LEU 17 Cb 1.81 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 3ias h LEU 17 CO -0.24 1.02 0.52 -1.28 0.09 0.00 0.00 178.44 178.55 3ias h SER 18 N 0.13 0.70 -0.48 -0.43 0.87 0.84 0.33 113.55 115.52 3ias h SER 18 Ca 0.00 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 3ias h SER 18 Cb 0.93 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3ias h SER 18 CO 0.07 0.44 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.30 3ias h TRP 19 N 0.79 0.93 -0.30 2.24 6.55 -1.03 -1.74 115.95 123.38 3ias h TRP 19 Ca 0.36 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 3ias h TRP 19 Cb 0.35 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 3ias h TRP 19 CO -0.00 0.88 0.16 0.52 -1.05 0.00 0.00 178.44 178.95 3ias h MET 20 N 0.70 0.42 -0.22 0.49 2.86 -0.71 0.10 114.93 118.57 3ias h MET 20 Ca 0.13 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3ias h MET 20 Cb 0.52 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3ias h MET 20 CO 0.03 0.37 -0.09 0.00 1.06 0.00 0.00 176.91 178.27 3ias h ARG 21 N 0.36 0.35 0.44 1.72 3.08 -0.91 -0.47 114.38 118.95 3ias h ARG 21 Ca 0.11 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3ias h ARG 21 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3ias h ARG 21 CO -0.02 0.46 -0.21 1.49 -1.07 0.00 0.00 179.97 180.62 3ias h GLU 22 N 0.34 -0.57 -0.67 0.04 4.81 -0.69 -2.72 114.58 115.12 3ias h GLU 22 Ca 0.07 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 3ias h GLU 22 Cb 0.38 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 3ias h GLU 22 CO 0.02 -0.26 0.45 -0.92 -0.73 0.00 0.00 179.01 177.56 3ias h TYR 23 N -0.89 0.55 0.90 0.92 5.03 -0.80 -0.25 116.97 122.44 3ias h TYR 23 Ca -0.06 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.22 3ias h TYR 23 Cb 0.57 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.68 3ias h TYR 23 CO 0.01 0.26 -0.43 0.00 -1.32 0.00 0.00 178.16 176.68 3ias h ALA 24 N 1.66 -1.20 0.00 1.82 0.00 -0.97 -1.50 119.26 119.06 3ias h ALA 24 Ca 0.31 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ias h ALA 24 Cb 0.53 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3ias h ALA 24 CO -0.10 -1.12 -0.33 0.37 0.00 0.00 0.00 179.25 178.07 3ias h GLN 25 N -1.32 0.00 0.43 0.00 -0.00 -1.34 -1.13 115.11 111.75 3ias h GLN 25 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 3ias h GLN 25 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.41 3ias h GLN 25 CO 0.20 0.33 -0.21 0.00 0.00 0.00 0.00 178.83 179.16 3ias h ALA 26 N 1.67 -0.94 -0.13 3.38 0.00 -0.92 -3.27 119.26 119.05 3ias h ALA 26 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ias h ALA 26 Cb 0.83 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ias h ALA 26 CO 0.04 -0.90 0.00 1.63 0.00 0.00 0.00 179.25 180.02 3ias n LYS 27 N -3.85 1.29 -2.87 0.00 4.76 -0.58 -4.92 118.16 111.99 3ias n LYS 27 Ca -0.07 -0.45 -0.12 0.00 -2.87 0.00 0.00 58.31 54.80 3ias n LYS 27 Cb 0.23 -1.10 0.06 0.00 -1.84 0.00 0.00 35.03 32.37 3ias n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ias n GLY 28 N 0.70 -0.66 3.26 0.72 0.00 -1.02 -5.06 105.19 103.13 3ias n GLY 28 Ca 0.04 0.37 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 3ias n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s VAL 29 N -3.30 0.02 0.02 1.61 0.11 -0.46 -5.05 120.40 113.35 3ias s VAL 29 Ca 0.33 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 3ias s VAL 29 Cb -0.04 -0.57 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 3ias s VAL 29 CO 0.57 -0.10 1.44 -0.13 -3.33 0.00 0.00 175.10 173.56 3ias s ARG 30 N -0.43 4.27 -0.06 1.54 1.81 -1.16 -4.26 118.95 120.66 3ias s ARG 30 Ca -0.06 2.04 -0.09 0.00 -1.72 0.00 0.00 55.73 55.90 3ias s ARG 30 Cb -0.04 -3.55 -0.05 0.00 -0.45 0.00 0.00 34.95 30.87 3ias s ARG 30 CO 0.02 -0.59 0.24 0.12 -0.68 0.00 0.00 175.30 174.41 3ias s PHE 31 N 2.34 3.63 -0.10 -0.53 2.19 -1.26 -0.64 117.98 123.61 3ias s PHE 31 Ca 0.66 0.66 -0.04 0.00 0.33 0.00 0.00 56.93 58.53 3ias s PHE 31 Cb -0.33 -2.04 0.05 0.00 -1.31 0.00 0.00 43.02 39.38 3ias s PHE 31 CO 0.28 0.68 0.22 -2.00 1.83 0.00 0.00 175.22 176.23 3ias s GLU 32 N -1.23 0.16 -0.20 10.12 2.12 -0.71 -4.97 118.70 123.99 3ias s GLU 32 Ca 0.20 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.75 3ias s GLU 32 Cb -0.13 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.10 3ias s GLU 32 CO 0.10 -0.18 1.39 0.21 -0.54 0.00 0.00 175.26 176.23 3ias s LYS 33 N 1.41 4.05 0.01 4.30 2.20 -1.26 -1.87 119.74 128.57 3ias s LYS 33 Ca -0.08 1.60 -0.07 0.00 -0.36 0.00 0.00 55.97 57.07 3ias s LYS 33 Cb -0.11 -3.88 -0.30 0.00 -1.51 0.00 0.00 37.83 32.04 3ias s LYS 33 CO -0.08 -0.96 0.89 1.49 -0.36 0.00 0.00 175.35 176.33 3ias h GLU 34 N 9.16 0.32 -1.56 4.03 4.57 -0.76 -3.49 114.58 126.87 3ias h GLU 34 Ca -0.29 -0.55 0.08 0.00 -1.18 0.00 0.00 59.36 57.41 3ias h GLU 34 Cb 1.12 0.21 -0.24 0.00 -0.16 0.00 0.00 28.75 29.68 3ias h GLU 34 CO 0.99 1.22 0.53 0.00 -1.18 0.00 0.00 179.01 180.57 3ias s ALA 35 N -2.61 -1.94 0.18 2.92 0.00 -1.04 -4.98 121.76 114.28 3ias s ALA 35 Ca -0.10 1.64 0.02 0.00 0.00 0.00 0.00 51.96 53.52 3ias s ALA 35 Cb 0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3ias s ALA 35 CO 0.87 -0.29 0.33 -0.51 0.00 0.00 0.00 175.76 176.17 3ias s ASP 36 N -0.84 6.35 -0.14 0.00 1.11 -1.26 -2.12 116.67 119.77 3ias s ASP 36 Ca -0.01 0.25 -0.38 0.00 0.18 0.00 0.00 52.55 52.59 3ias s ASP 36 Cb -0.01 -1.94 -0.15 0.00 1.07 0.00 0.00 42.92 41.89 3ias s ASP 36 CO -0.00 -0.00 1.71 0.49 1.18 0.00 0.00 175.17 178.55 3ias n PHE 37 N -0.71 2.07 -0.36 4.23 3.01 0.48 -4.81 117.46 121.37 3ias n PHE 37 Ca -0.06 0.38 -0.02 0.00 1.01 0.00 0.00 57.45 58.76 3ias n PHE 37 Cb 0.54 -2.50 0.11 0.00 -0.01 0.00 0.00 39.48 37.62 3ias n PHE 37 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3ias h PRO 38 N 7.27 1.24 -0.10 -1.08 0.11 -1.96 -1.91 132.00 135.56 3ias h PRO 38 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3ias h PRO 38 Cb 1.30 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ias h PRO 38 CO 0.92 0.82 0.00 -0.40 -0.21 0.00 0.00 178.00 179.13 3ias n ASP 39 N -4.43 0.10 -0.01 -2.05 5.75 -1.26 -1.69 116.55 112.96 3ias n ASP 39 Ca 0.12 -0.70 -0.04 0.00 -0.01 0.00 0.00 54.79 54.16 3ias n ASP 39 Cb 0.04 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 3ias n ASP 39 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3ias n PHE 40 N -0.26 0.00 -0.16 2.11 -0.00 -0.75 -4.35 117.46 114.04 3ias n PHE 40 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 3ias n PHE 40 Cb 0.03 -0.13 0.02 0.00 -0.00 0.00 0.00 39.48 39.40 3ias n PHE 40 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3ias h ILE 41 N -0.15 0.33 -0.53 -2.13 2.04 -1.01 -1.12 117.51 114.94 3ias h ILE 41 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3ias h ILE 41 Cb 0.80 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3ias h ILE 41 CO -0.05 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.88 3ias n TYR 42 N -5.41 0.92 -2.46 1.37 4.01 -0.68 -4.86 117.16 110.04 3ias n TYR 42 Ca 0.04 -0.41 -0.41 0.00 -0.16 0.00 0.00 57.90 56.97 3ias n TYR 42 Cb 0.32 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3ias n TYR 42 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3ias s ARG 43 N -1.49 4.58 0.00 -0.72 3.00 -0.43 -4.99 118.95 118.91 3ias s ARG 43 Ca 0.38 1.79 0.00 0.00 -1.00 0.00 0.00 55.73 56.90 3ias s ARG 43 Cb 0.22 -3.23 0.00 0.00 0.00 0.00 0.00 34.95 31.94 3ias s ARG 43 CO 0.22 0.08 0.00 -1.33 0.00 0.00 0.00 175.30 174.28 3ias n MET 44 N 1.95 0.00 0.20 5.12 2.81 -1.26 -4.84 117.12 121.09 3ias n MET 44 Ca 0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 3ias n MET 44 Cb 0.45 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.10 3ias n MET 44 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3ias h GLU 45 N 0.00 0.00 -6.73 0.03 9.09 -2.01 -3.47 114.58 111.49 3ias h GLU 45 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 3ias h GLU 45 Cb 0.00 0.00 0.18 0.00 -1.65 0.00 0.00 28.75 27.28 3ias h GLU 45 CO 0.00 0.04 -0.15 0.54 0.05 0.00 0.00 179.01 179.48 3ias n ARG 46 N -3.06 0.54 -2.02 1.06 1.74 -1.26 -4.98 116.66 108.69 3ias n ARG 46 Ca 0.03 0.23 -0.29 0.00 -0.77 0.00 0.00 57.85 57.05 3ias n ARG 46 Cb 0.55 -1.97 0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3ias n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ias s PRO 47 N -2.74 2.67 -0.30 5.56 0.04 -1.26 -5.01 135.00 133.97 3ias s PRO 47 Ca 0.71 0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 3ias s PRO 47 Cb -0.39 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.20 3ias s PRO 47 CO 0.52 -1.07 0.70 -0.47 0.04 0.00 0.00 177.00 176.73 3ias s TYR 48 N -3.31 -1.20 -0.18 0.56 6.14 -1.26 -5.02 117.35 113.09 3ias s TYR 48 Ca 0.58 2.14 0.20 0.00 0.64 0.00 0.00 57.07 60.64 3ias s TYR 48 Cb -0.11 0.72 0.47 0.00 0.42 0.00 0.00 41.96 43.46 3ias s TYR 48 CO 0.49 -0.60 1.15 -0.40 0.64 0.00 0.00 175.55 176.84 3ias n ASP 49 N 5.14 1.88 -4.87 4.32 5.75 -1.26 -5.07 116.55 122.43 3ias n ASP 49 Ca -0.13 -2.46 -0.34 0.00 -0.01 0.00 0.00 54.79 51.85 3ias n ASP 49 Cb 0.51 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 3ias n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3ias s LEU 50 N -2.50 4.32 0.48 -2.12 2.96 -1.26 -5.00 118.68 115.56 3ias s LEU 50 Ca 0.34 0.83 0.13 0.00 -0.22 0.00 0.00 54.13 55.20 3ias s LEU 50 Cb 0.36 -3.15 1.12 0.00 0.50 0.00 0.00 46.19 45.03 3ias s LEU 50 CO -0.07 0.12 2.11 -0.65 -1.32 0.00 0.00 176.35 176.53 3ias h PRO 51 N 3.45 0.20 -4.46 0.98 0.11 -1.96 -3.45 132.00 126.87 3ias h PRO 51 Ca -0.48 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.32 3ias h PRO 51 Cb 1.19 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 3ias h PRO 51 CO 0.67 0.13 -0.42 0.99 -0.21 0.00 0.00 178.00 179.17 3ias s THR 52 N -5.23 0.00 -0.05 -1.15 2.01 -1.26 -5.03 115.64 104.92 3ias s THR 52 Ca -0.06 -1.83 0.22 0.00 0.31 0.00 0.00 61.69 60.33 3ias s THR 52 Cb 0.17 -2.50 -0.31 0.00 0.01 0.00 0.00 72.50 69.88 3ias s THR 52 CO 0.70 0.00 0.52 0.35 -0.69 0.00 0.00 174.62 175.49 3ias n THR 53 N -0.46 0.11 -2.65 -0.82 -2.24 -1.26 -4.97 114.28 101.99 3ias n THR 53 Ca 0.03 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3ias n THR 53 Cb 0.63 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 3ias n THR 53 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3ias s ILE 54 N -3.47 4.71 -0.02 2.28 2.07 -1.26 -0.38 121.20 125.13 3ias s ILE 54 Ca -0.07 1.97 0.00 0.00 -1.41 0.00 0.00 60.65 61.13 3ias s ILE 54 Cb 0.13 -4.26 -0.01 0.00 0.13 0.00 0.00 42.46 38.45 3ias s ILE 54 CO 0.90 0.05 -0.01 0.80 -1.91 0.00 0.00 174.94 174.76 3ias n MET 55 N 4.70 0.39 -4.81 3.50 0.00 -0.90 -4.84 117.12 115.16 3ias n MET 55 Ca 0.08 0.01 -0.29 0.00 -0.00 0.00 0.00 57.70 57.50 3ias n MET 55 Cb 0.49 -1.03 -0.17 0.00 0.00 0.00 0.00 33.22 32.51 3ias n MET 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3ias s THR 56 N -2.03 1.66 0.09 1.12 2.01 -0.92 -2.30 115.64 115.27 3ias s THR 56 Ca -0.02 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3ias s THR 56 Cb 0.01 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 3ias s THR 56 CO 0.04 0.47 -0.07 0.00 -0.69 0.00 0.00 174.62 174.37 3ias s ALA 57 N 0.63 0.95 -0.00 7.40 0.00 0.30 0.01 121.76 131.05 3ias s ALA 57 Ca -0.14 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 3ias s ALA 57 Cb -0.16 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3ias s ALA 57 CO 0.04 -0.20 0.16 -1.54 0.00 0.00 0.00 175.76 174.22 3ias s SER 58 N -2.85 -0.01 -0.50 0.00 1.04 -0.78 -1.10 113.70 109.49 3ias s SER 58 Ca 0.09 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 3ias s SER 58 Cb 0.03 0.23 0.13 0.00 0.10 0.00 0.00 66.02 66.50 3ias s SER 58 CO -0.04 -0.36 0.40 -0.76 0.98 0.00 0.00 173.24 173.47 3ias s LEU 59 N -1.28 5.87 0.52 2.42 1.43 -1.02 -1.74 118.68 124.88 3ias s LEU 59 Ca -0.14 -1.90 0.01 0.00 -1.03 0.00 0.00 54.13 51.08 3ias s LEU 59 Cb -0.07 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3ias s LEU 59 CO 0.02 -0.74 0.74 -0.44 0.23 0.00 0.00 176.35 176.16 3ias s SER 60 N 2.94 5.43 0.00 2.29 0.01 0.19 -2.22 113.70 122.34 3ias s SER 60 Ca 0.05 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.36 3ias s SER 60 Cb -0.27 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 64.93 3ias s SER 60 CO 0.00 -1.02 0.00 -0.90 0.41 0.00 0.00 173.24 171.74 3ias n ASP 61 N -2.26 0.00 -0.05 2.44 5.68 -0.77 -3.01 116.55 118.58 3ias n ASP 61 Ca 0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.24 3ias n ASP 61 Cb 0.59 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.52 3ias n ASP 61 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3ias h GLY 62 N 0.00 0.31 1.80 6.12 0.00 -1.89 -2.95 103.07 106.46 3ias h GLY 62 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3ias h GLY 62 CO 0.00 0.17 0.00 1.04 0.00 0.00 0.00 176.54 177.75 3ias n LEU 63 N -4.81 0.00 0.00 3.11 4.32 -1.26 -4.89 117.00 113.46 3ias n LEU 63 Ca -0.04 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3ias n LEU 63 Cb 0.14 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 3ias n LEU 63 CO 0.35 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 3ias n GLY 64 N 1.28 1.92 3.66 -0.72 0.00 -1.12 -5.04 105.19 105.17 3ias n GLY 64 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3ias n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ias s GLU 65 N -0.96 4.16 0.57 1.61 0.41 -1.26 -4.37 118.70 118.86 3ias s GLU 65 Ca 0.00 2.39 -0.18 0.00 -0.41 0.00 0.00 54.97 56.77 3ias s GLU 65 Cb 0.00 -4.06 -0.04 0.00 -1.78 0.00 0.00 34.13 28.25 3ias s GLU 65 CO 0.00 -0.89 1.13 -2.14 -0.49 0.00 0.00 175.26 172.86 3ias s PRO 66 N 4.19 3.21 0.00 0.39 0.02 -1.26 -1.85 135.00 139.70 3ias s PRO 66 Ca 0.80 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3ias s PRO 66 Cb -0.38 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3ias s PRO 66 CO 0.35 -0.96 0.00 1.97 -0.33 0.00 0.00 177.00 178.04 3ias n PHE 67 N -1.58 0.00 -4.39 6.54 1.16 -0.94 -4.72 117.46 113.53 3ias n PHE 67 Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.50 3ias n PHE 67 Cb 0.51 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.24 3ias n PHE 67 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3ias s LEU 68 N -1.67 2.06 -0.05 5.98 1.98 -1.22 -4.23 118.68 121.53 3ias s LEU 68 Ca 0.00 -0.25 -0.02 0.00 -2.89 0.00 0.00 54.13 50.97 3ias s LEU 68 Cb 0.00 -0.51 0.03 0.00 0.66 0.00 0.00 46.19 46.38 3ias s LEU 68 CO 0.00 0.09 0.07 -0.76 -1.89 0.00 0.00 176.35 173.86 3ias s LEU 69 N -0.46 0.11 0.03 -0.68 1.43 -0.30 -2.45 118.68 116.36 3ias s LEU 69 Ca 0.03 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 3ias s LEU 69 Cb -0.05 -0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.07 3ias s LEU 69 CO -0.00 -0.25 -0.20 0.00 0.23 0.00 0.00 176.35 176.13 3ias s ALA 70 N 2.19 1.65 0.01 4.21 0.00 -0.26 -0.69 121.76 128.86 3ias s ALA 70 Ca 0.05 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 3ias s ALA 70 Cb -0.12 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.71 3ias s ALA 70 CO -0.03 0.38 0.52 0.16 0.00 0.00 0.00 175.76 176.78 3ias s ASP 71 N -0.96 -0.45 0.21 0.00 -4.77 -0.64 -0.54 116.67 109.53 3ias s ASP 71 Ca 0.07 0.31 0.11 0.00 -3.30 0.00 0.00 52.55 49.74 3ias s ASP 71 Cb -0.08 0.47 -0.05 0.00 -1.09 0.00 0.00 42.92 42.17 3ias s ASP 71 CO 0.01 -0.63 -0.20 0.54 0.70 0.00 0.00 175.17 175.58 3ias s VAL 72 N -1.85 2.53 0.16 2.11 0.11 -0.97 0.71 120.40 123.18 3ias s VAL 72 Ca -0.09 -2.06 -0.30 0.00 -2.93 0.00 0.00 61.98 56.60 3ias s VAL 72 Cb -0.01 -2.25 -0.07 0.00 -1.53 0.00 0.00 36.38 32.52 3ias s VAL 72 CO 0.03 -0.18 1.07 -0.94 -3.33 0.00 0.00 175.10 171.74 3ias s SER 73 N -2.90 7.32 0.43 3.54 1.04 -0.97 -4.88 113.70 117.27 3ias s SER 73 Ca 0.24 2.01 -0.22 0.00 0.48 0.00 0.00 55.95 58.45 3ias s SER 73 Cb -0.07 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.33 3ias s SER 73 CO 0.12 -0.19 0.58 -0.81 0.98 0.00 0.00 173.24 173.92 3ias n PRO 74 N 2.55 0.63 -0.28 4.02 -0.04 -1.26 -4.87 135.00 135.75 3ias n PRO 74 Ca 0.03 0.23 0.27 0.00 -0.04 0.00 0.00 63.50 63.99 3ias n PRO 74 Cb 0.47 -1.56 0.63 0.00 -0.04 0.00 0.00 33.50 33.00 3ias n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3ias h ARG 75 N 0.82 0.19 -0.58 0.54 0.11 -1.96 -1.29 114.38 112.21 3ias h ARG 75 Ca -0.41 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.66 3ias h ARG 75 Cb 1.39 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.43 3ias h ARG 75 CO 0.52 0.12 0.00 0.72 0.10 0.00 0.00 179.97 181.43 3ias n HIS 76 N -4.40 0.95 -3.21 4.08 8.25 -1.26 -4.94 115.22 114.69 3ias n HIS 76 Ca 0.23 -0.39 -0.20 0.00 -0.26 0.00 0.00 57.72 57.09 3ias n HIS 76 Cb 0.97 -0.14 0.03 0.00 1.12 0.00 0.00 29.99 31.98 3ias n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ias s ALA 77 N -1.64 4.57 0.19 -1.41 0.00 -0.49 -5.13 121.76 117.86 3ias s ALA 77 Ca 0.35 -1.89 0.11 0.00 0.00 0.00 0.00 51.96 50.53 3ias s ALA 77 Cb 0.22 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3ias s ALA 77 CO 0.19 -0.62 -0.23 0.21 0.00 0.00 0.00 175.76 175.31 3ias s LYS 78 N -4.49 1.49 -1.02 0.00 2.47 -1.26 -4.73 119.74 112.20 3ias s LYS 78 Ca 0.55 -1.52 -0.08 0.00 -1.56 0.00 0.00 55.97 53.35 3ias s LYS 78 Cb -0.06 -1.75 -0.04 0.00 -1.46 0.00 0.00 37.83 34.52 3ias s LYS 78 CO 0.34 0.37 0.85 1.28 0.16 0.00 0.00 175.35 178.36 3ias n LEU 79 N 0.20 -5.09 -4.77 5.43 4.32 -1.26 -4.91 117.00 110.92 3ias n LEU 79 Ca -0.12 -0.69 -0.40 0.00 -0.02 0.00 0.00 56.01 54.78 3ias n LEU 79 Cb 0.56 -3.01 -0.02 0.00 -1.62 0.00 0.00 43.42 39.33 3ias n LEU 79 CO 0.30 0.01 0.90 -0.54 -1.22 0.00 0.00 177.39 176.84 3ias s LYS 80 N -4.56 4.27 -0.03 3.23 1.02 -1.26 -5.03 119.74 117.37 3ias s LYS 80 Ca 0.39 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 3ias s LYS 80 Cb -0.08 -2.93 0.07 0.00 -0.52 0.00 0.00 37.83 34.37 3ias s LYS 80 CO 0.77 -0.18 0.69 -0.98 -0.92 0.00 0.00 175.35 174.73 3ias s ARG 81 N -1.94 1.06 -0.16 1.68 3.03 -1.26 -4.95 118.95 116.42 3ias s ARG 81 Ca 0.51 0.18 -0.06 0.00 2.03 0.00 0.00 55.73 58.40 3ias s ARG 81 Cb -0.35 0.50 -0.04 0.00 -1.03 0.00 0.00 34.95 34.03 3ias s ARG 81 CO 0.46 -0.35 0.04 -1.50 -1.13 0.00 0.00 175.30 172.82 3ias s ILE 82 N -1.44 4.62 0.02 4.99 2.07 -0.87 -2.28 121.20 128.31 3ias s ILE 82 Ca -0.09 -0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.13 3ias s ILE 82 Cb -0.00 -3.05 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 3ias s ILE 82 CO 0.07 0.50 -0.24 -0.83 -1.91 0.00 0.00 174.94 172.53 3ias s GLY 83 N 0.09 1.26 0.01 1.50 0.00 0.22 -1.06 107.32 109.35 3ias s GLY 83 Ca 0.04 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.69 3ias s GLY 83 CO 0.01 -1.02 -0.22 1.08 0.00 0.00 0.00 173.10 172.95 3ias s LEU 84 N -1.00 2.36 -0.15 0.66 1.43 -0.16 -1.62 118.68 120.20 3ias s LEU 84 Ca 0.10 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3ias s LEU 84 Cb -0.09 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.79 3ias s LEU 84 CO 0.01 0.29 0.31 -0.60 0.23 0.00 0.00 176.35 176.59 3ias s ARG 85 N -1.05 0.20 -0.55 1.70 3.00 0.13 -0.45 118.95 121.93 3ias s ARG 85 Ca 0.12 0.80 -0.20 0.00 -1.00 0.00 0.00 55.73 55.45 3ias s ARG 85 Cb -0.10 0.01 0.07 0.00 0.00 0.00 0.00 34.95 34.93 3ias s ARG 85 CO 0.02 -0.30 0.72 -0.51 0.00 0.00 0.00 175.30 175.23 3ias s LEU 86 N 2.47 4.93 0.59 -0.88 1.43 -0.95 -1.15 118.68 125.13 3ias s LEU 86 Ca 0.01 -1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 3ias s LEU 86 Cb -0.12 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3ias s LEU 86 CO -0.10 -1.05 1.31 -0.81 0.23 0.00 0.00 176.35 175.92 3ias n PRO 87 N 6.52 1.41 0.00 1.29 -0.04 -1.26 -2.72 135.00 140.20 3ias n PRO 87 Ca -0.06 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3ias n PRO 87 Cb 0.45 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 3ias n PRO 87 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3ias n ARG 88 N -1.38 0.00 -0.20 0.54 0.63 -1.26 -4.73 116.66 110.26 3ias n ARG 88 Ca 0.13 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.12 3ias n ARG 88 Cb 0.46 -1.58 0.09 0.00 0.45 0.00 0.00 32.46 31.88 3ias n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ias n ALA 89 N 0.04 2.15 -3.97 5.13 0.00 -1.10 -5.04 120.51 117.71 3ias n ALA 89 Ca 0.00 -2.02 -0.38 0.00 0.00 0.00 0.00 53.44 51.03 3ias n ALA 89 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 19.45 19.07 3ias n ALA 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ias n HIS 90 N -0.93 -1.37 -3.70 0.00 1.44 -1.25 -4.97 115.22 104.44 3ias n HIS 90 Ca 0.10 0.21 -0.26 0.00 -2.01 0.00 0.00 57.72 55.76 3ias n HIS 90 Cb 0.64 -2.48 -0.17 0.00 0.12 0.00 0.00 29.99 28.10 3ias n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3ias s ILE 91 N -3.49 0.27 -0.10 0.61 1.01 -1.25 -5.07 121.20 113.19 3ias s ILE 91 Ca 0.34 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3ias s ILE 91 Cb -0.19 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.56 3ias s ILE 91 CO 0.87 -0.10 -0.16 -1.00 0.00 0.00 0.00 174.94 174.55 3ias s HIS 92 N 1.98 1.92 -0.12 3.97 3.76 -1.26 -2.24 115.29 123.31 3ias s HIS 92 Ca 0.02 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 3ias s HIS 92 Cb -0.15 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3ias s HIS 92 CO -0.07 -0.42 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.74 3ias s LEU 93 N 0.82 2.61 -0.28 0.89 1.02 0.40 -4.99 118.68 119.16 3ias s LEU 93 Ca -0.10 -0.35 -0.04 0.00 0.02 0.00 0.00 54.13 53.65 3ias s LEU 93 Cb -0.16 -1.57 0.02 0.00 0.02 0.00 0.00 46.19 44.51 3ias s LEU 93 CO 0.01 0.18 0.02 -1.00 0.02 0.00 0.00 176.35 175.58 3ias s HIS 94 N 0.24 3.14 -0.17 0.29 3.76 -1.26 -0.99 115.29 120.29 3ias s HIS 94 Ca -0.10 -1.33 -0.08 0.00 -0.15 0.00 0.00 55.06 53.41 3ias s HIS 94 Cb -0.16 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 3ias s HIS 94 CO 0.06 -0.67 0.09 0.00 -0.85 0.00 0.00 174.74 173.36 3ias s ALA 95 N 1.40 3.54 0.00 -1.40 0.00 -0.22 -4.37 121.76 120.72 3ias s ALA 95 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3ias s ALA 95 Cb -0.17 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.99 3ias s ALA 95 CO -0.01 0.27 0.00 0.72 0.00 0.00 0.00 175.76 176.74 3ias n HIS 96 N 3.20 -0.52 -3.71 0.00 8.25 0.33 -2.05 115.22 120.72 3ias n HIS 96 Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.13 3ias n HIS 96 Cb 0.53 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.48 3ias n HIS 96 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3ias s TYR 97 N 1.00 -0.14 -0.06 4.41 5.04 -1.26 -3.14 117.35 123.19 3ias s TYR 97 Ca 0.00 0.49 0.03 0.00 -2.44 0.00 0.00 57.07 55.15 3ias s TYR 97 Cb 0.00 -0.20 -0.02 0.00 0.35 0.00 0.00 41.96 42.08 3ias s TYR 97 CO 0.00 -0.21 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.65 3ias s GLU 98 N 1.73 2.64 0.24 4.97 0.41 -0.87 -5.03 118.70 122.80 3ias s GLU 98 Ca -0.03 -0.71 -0.31 0.00 -0.41 0.00 0.00 54.97 53.51 3ias s GLU 98 Cb -0.12 -2.41 -0.12 0.00 -1.78 0.00 0.00 34.13 29.71 3ias s GLU 98 CO -0.05 0.54 1.68 -1.25 -0.49 0.00 0.00 175.26 175.69 3ias s PRO 99 N -0.52 4.12 0.00 0.39 0.04 -1.26 -1.96 135.00 135.80 3ias s PRO 99 Ca 0.07 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.72 3ias s PRO 99 Cb -0.12 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3ias s PRO 99 CO 0.01 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.75 3ias n GLY 100 N 3.29 1.36 0.10 0.56 0.00 -1.26 -4.63 105.19 104.61 3ias n GLY 100 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3ias n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ias h LYS 101 N 0.00 -0.11 0.00 1.61 1.79 -2.00 -3.51 116.57 114.36 3ias h LYS 101 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3ias h LYS 101 Cb 0.00 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3ias h LYS 101 CO 0.00 0.33 0.00 0.41 -1.08 0.00 0.00 179.45 179.11 3ias n GLY 102 N 1.23 0.46 3.65 3.86 0.00 -0.83 -5.01 105.19 108.55 3ias n GLY 102 Ca -0.06 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3ias n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ias s LEU 103 N 0.00 4.06 0.06 0.99 2.96 -1.26 -2.05 118.68 123.44 3ias s LEU 103 Ca 0.00 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.18 3ias s LEU 103 Cb 0.00 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 3ias s LEU 103 CO 0.00 -0.69 -0.14 0.68 -1.32 0.00 0.00 176.35 174.88 3ias s VAL 104 N 3.24 1.12 -0.96 1.68 -7.23 -1.19 0.02 120.40 117.07 3ias s VAL 104 Ca 0.42 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3ias s VAL 104 Cb -0.14 -1.05 0.27 0.00 0.56 0.00 0.00 36.38 36.02 3ias s VAL 104 CO 0.09 -0.13 1.08 0.35 -0.31 0.00 0.00 175.10 176.18 3ias n THR 105 N 1.53 4.01 0.00 5.32 -2.24 0.26 -0.51 114.28 122.66 3ias n THR 105 Ca -0.20 -5.47 0.00 0.00 -2.27 0.00 0.00 64.05 56.11 3ias n THR 105 Cb 0.54 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 3ias n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 106 N 1.81 1.12 0.05 3.38 0.00 -1.26 -4.02 105.19 106.28 3ias n GLY 106 Ca 0.25 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 3ias n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ias n LYS 107 N 0.00 0.88 -2.83 1.61 5.02 -1.26 -4.98 118.16 116.60 3ias n LYS 107 Ca 0.00 -0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 3ias n LYS 107 Cb 0.00 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 3ias n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ias s ILE 108 N -2.81 4.79 0.50 -0.18 1.09 -1.26 -5.00 121.20 118.32 3ias s ILE 108 Ca -0.08 1.87 -0.21 0.00 -1.10 0.00 0.00 60.65 61.13 3ias s ILE 108 Cb 0.08 -4.23 -0.07 0.00 -1.06 0.00 0.00 42.46 37.18 3ias s ILE 108 CO 0.76 0.25 1.12 -2.84 -0.10 0.00 0.00 174.94 174.13 3ias s PRO 109 N 0.54 3.62 -0.80 2.79 0.02 -1.26 -0.57 135.00 139.34 3ias s PRO 109 Ca 0.46 1.61 -0.06 0.00 0.02 0.00 0.00 61.00 63.03 3ias s PRO 109 Cb -0.21 -2.19 0.20 0.00 0.02 0.00 0.00 34.50 32.33 3ias s PRO 109 CO 0.26 -0.63 0.68 -1.17 -0.33 0.00 0.00 177.00 175.81 3ias s LEU 110 N -3.41 5.77 0.29 -5.54 2.96 0.10 -4.79 118.68 114.07 3ias s LEU 110 Ca 0.68 -3.17 0.00 0.00 -0.22 0.00 0.00 54.13 51.42 3ias s LEU 110 Cb -0.24 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3ias s LEU 110 CO 0.28 -0.35 0.48 0.42 -1.32 0.00 0.00 176.35 175.86 3ias s THR 111 N -0.54 5.15 0.44 3.68 -4.23 -1.26 -4.82 115.64 114.06 3ias s THR 111 Ca 0.22 -0.47 0.27 0.00 -1.18 0.00 0.00 61.69 60.53 3ias s THR 111 Cb -0.13 -3.82 0.47 0.00 1.34 0.00 0.00 72.50 70.36 3ias s THR 111 CO -0.08 -0.40 1.70 0.50 -0.54 0.00 0.00 174.62 175.80 3ias h LYS 112 N 1.23 0.19 0.66 3.99 3.64 -1.99 0.68 116.57 124.97 3ias h LYS 112 Ca -0.49 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 3ias h LYS 112 Cb 1.21 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3ias h LYS 112 CO 0.63 0.12 -0.32 0.93 -2.27 0.00 0.00 179.45 178.55 3ias h GLU 113 N 0.19 -0.86 -0.79 1.90 4.39 -1.99 -1.41 114.58 116.02 3ias h GLU 113 Ca 0.70 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.58 3ias h GLU 113 Cb 2.16 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 30.92 3ias h GLU 113 CO -0.30 -0.57 0.39 -0.09 -1.16 0.00 0.00 179.01 177.28 3ias h ARG 114 N -0.92 0.58 0.86 2.33 2.43 -1.32 -0.78 114.38 117.56 3ias h ARG 114 Ca -0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3ias h ARG 114 Cb 0.68 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3ias h ARG 114 CO 0.15 0.39 -0.45 0.35 -1.51 0.00 0.00 179.97 178.90 3ias h PHE 115 N 0.60 -1.16 -0.91 2.20 3.57 -1.10 -1.34 116.94 118.80 3ias h PHE 115 Ca 0.41 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 62.12 3ias h PHE 115 Cb 0.53 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 3ias h PHE 115 CO -0.11 -0.70 0.62 0.74 -2.23 0.00 0.00 178.31 176.64 3ias h PHE 116 N -1.19 0.31 0.62 0.41 -1.00 -0.45 0.18 116.94 115.82 3ias h PHE 116 Ca -0.12 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 3ias h PHE 116 Cb 0.93 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 40.40 3ias h PHE 116 CO -0.04 0.07 -0.30 0.00 -1.61 0.00 0.00 178.31 176.43 3ias h ALA 117 N 1.59 -0.83 -0.49 2.45 0.00 -0.75 -2.37 119.26 118.86 3ias h ALA 117 Ca 0.46 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3ias h ALA 117 Cb 1.44 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 3ias h ALA 117 CO -0.11 -0.91 0.00 1.25 0.00 0.00 0.00 179.25 179.49 3ias h LEU 118 N -0.94 -0.20 -0.53 0.00 5.85 0.40 -1.89 115.31 118.01 3ias h LEU 118 Ca -0.08 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3ias h LEU 118 Cb 0.67 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 3ias h LEU 118 CO 0.14 -0.06 0.11 0.00 -0.34 0.00 0.00 178.44 178.29 3ias h ALA 119 N 1.43 0.60 0.81 1.25 0.00 -1.01 -2.16 119.26 120.19 3ias h ALA 119 Ca 0.25 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3ias h ALA 119 Cb 0.37 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ias h ALA 119 CO -0.40 -0.30 -0.39 -0.44 0.00 0.00 0.00 179.25 177.72 3ias h ASP 120 N 0.25 -0.92 -0.91 0.00 3.32 -0.82 0.27 116.42 117.62 3ias h ASP 120 Ca 0.27 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.58 3ias h ASP 120 Cb 0.36 0.24 -0.16 0.00 0.22 0.00 0.00 39.33 39.99 3ias h ASP 120 CO -0.34 -0.63 0.10 0.03 -1.72 0.00 0.00 179.24 176.68 3ias h ARG 121 N -1.13 0.09 0.29 3.56 2.47 -1.19 0.22 114.38 118.68 3ias h ARG 121 Ca -0.11 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 3ias h ARG 121 Cb 0.84 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 3ias h ARG 121 CO 0.18 0.06 -0.14 0.00 0.56 0.00 0.00 179.97 180.63 3ias h ALA 122 N 1.86 -0.39 -0.59 0.04 0.00 -1.19 -2.61 119.26 116.39 3ias h ALA 122 Ca 0.55 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.38 3ias h ALA 122 Cb 1.12 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3ias h ALA 122 CO -0.78 -0.50 0.10 -0.09 0.00 0.00 0.00 179.25 177.97 3ias h ARG 123 N -0.82 0.22 -0.33 0.00 2.43 0.18 0.48 114.38 116.54 3ias h ARG 123 Ca -0.04 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3ias h ARG 123 Cb 0.51 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3ias h ARG 123 CO 0.07 0.14 -0.45 0.93 -1.51 0.00 0.00 179.97 179.15 3ias h GLU 124 N 0.22 0.85 0.00 0.20 5.08 -0.73 -2.61 114.58 117.59 3ias h GLU 124 Ca 0.31 -0.48 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 3ias h GLU 124 Cb 0.46 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3ias h GLU 124 CO -0.42 1.12 -1.48 0.00 -1.00 0.00 0.00 179.01 177.23 3ias n ALA 125 N -2.55 2.18 0.19 3.43 0.00 -0.99 -4.60 120.51 118.18 3ias n ALA 125 Ca -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 52.91 3ias n ALA 125 Cb 0.57 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 3ias n ALA 125 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ias n LEU 126 N -2.72 0.19 -4.75 0.00 4.77 0.17 -5.00 117.00 109.65 3ias n LEU 126 Ca -0.08 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.14 3ias n LEU 126 Cb 0.75 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.80 3ias n LEU 126 CO 0.43 0.05 0.77 0.00 -1.33 0.00 0.00 177.39 177.31 3ias s ALA 127 N -1.80 3.39 -0.04 -1.18 0.00 -0.98 -4.92 121.76 116.23 3ias s ALA 127 Ca 0.01 0.84 0.11 0.00 0.00 0.00 0.00 51.96 52.92 3ias s ALA 127 Cb 0.04 -3.32 -0.23 0.00 0.00 0.00 0.00 23.12 19.62 3ias s ALA 127 CO 0.24 -0.12 0.69 0.74 0.00 0.00 0.00 175.76 177.32 3ias h PHE 128 N 4.16 0.03 0.00 0.00 -1.00 -1.90 -3.49 116.94 114.74 3ias h PHE 128 Ca -0.46 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.30 3ias h PHE 128 Cb 1.21 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3ias h PHE 128 CO 0.60 1.04 0.00 0.00 -1.61 0.00 0.00 178.31 178.34