#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fka h THR 3 N 0.00 1.12 -0.28 4.28 1.03 -2.03 -0.41 112.91 116.62 3fka h THR 3 Ca 0.00 -0.36 -0.05 0.00 -0.01 0.00 0.00 66.41 65.99 3fka h THR 3 Cb 0.00 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.04 3fka h THR 3 CO 0.00 0.19 -0.01 0.28 -0.01 0.00 0.00 175.52 175.97 3fka h SER 4 N 1.06 0.49 -0.69 0.00 0.02 -2.05 -2.76 113.55 109.62 3fka h SER 4 Ca 0.35 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3fka h SER 4 Cb 0.04 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3fka h SER 4 CO -0.13 0.69 0.40 -0.33 -1.14 0.00 0.00 176.83 176.32 3fka h GLU 5 N 0.28 0.96 -0.64 3.45 5.08 -1.89 -1.80 114.58 120.03 3fka h GLU 5 Ca 0.08 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3fka h GLU 5 Cb 0.45 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3fka h GLU 5 CO 0.02 0.69 0.06 0.45 -1.00 0.00 0.00 179.01 179.23 3fka h HIS 6 N 0.97 1.17 -0.33 4.33 3.86 -0.95 0.63 115.15 124.83 3fka h HIS 6 Ca 0.25 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3fka h HIS 6 Cb -0.00 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 3fka h HIS 6 CO 0.01 1.00 0.18 0.82 0.86 0.00 0.00 177.93 180.80 3fka h ILE 7 N 1.00 1.13 -0.78 2.45 1.08 -1.18 0.46 117.51 121.67 3fka h ILE 7 Ca 0.19 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 3fka h ILE 7 Cb 0.49 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 3fka h ILE 7 CO 0.02 0.13 0.38 0.00 -0.69 0.00 0.00 178.15 178.00 3fka h ALA 8 N 1.05 1.22 -0.42 1.87 0.00 -1.16 -0.19 119.26 121.62 3fka h ALA 8 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3fka h ALA 8 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3fka h ALA 8 CO -0.02 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.71 3fka h ALA 9 N 1.32 0.98 -0.26 0.00 0.00 -0.44 -0.59 119.26 120.28 3fka h ALA 9 Ca 0.27 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3fka h ALA 9 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fka h ALA 9 CO -0.04 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 179.25 3fka h LEU 10 N 0.70 0.78 -0.47 0.00 3.38 -0.42 -0.42 115.31 118.86 3fka h LEU 10 Ca 0.11 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3fka h LEU 10 Cb 0.61 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3fka h LEU 10 CO 0.04 1.14 0.27 0.74 0.09 0.00 0.00 178.44 180.72 3fka h THR 11 N 0.56 1.15 -0.72 0.22 2.02 -0.82 -1.97 112.91 113.35 3fka h THR 11 Ca 0.03 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 3fka h THR 11 Cb 1.06 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 3fka h THR 11 CO 0.10 0.16 0.32 0.00 0.37 0.00 0.00 175.52 176.47 3fka h ALA 12 N 1.12 0.93 -0.54 6.16 0.00 -0.98 -2.26 119.26 123.69 3fka h ALA 12 Ca 0.17 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fka h ALA 12 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3fka h ALA 12 CO -0.03 0.52 0.29 1.25 0.00 0.00 0.00 179.25 181.27 3fka h LEU 13 N 1.01 0.42 -0.51 0.00 5.85 -0.72 -0.61 115.31 120.76 3fka h LEU 13 Ca 0.24 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3fka h LEU 13 Cb 0.16 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3fka h LEU 13 CO -0.03 0.29 0.28 0.58 -0.34 0.00 0.00 178.44 179.22 3fka h VAL 14 N 0.55 1.17 -0.46 1.05 2.07 -0.96 0.81 116.25 120.47 3fka h VAL 14 Ca 0.24 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3fka h VAL 14 Cb 0.13 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3fka h VAL 14 CO -0.15 0.19 0.29 -0.08 0.02 0.00 0.00 177.57 177.83 3fka h GLU 15 N 0.68 0.63 -0.48 1.57 4.81 -1.08 0.14 114.58 120.85 3fka h GLU 15 Ca 0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3fka h GLU 15 Cb 0.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3fka h GLU 15 CO -0.03 0.45 0.30 1.15 -0.73 0.00 0.00 179.01 180.15 3fka h THR 16 N 0.62 1.13 0.30 0.32 2.02 -0.80 -3.10 112.91 113.41 3fka h THR 16 Ca 0.17 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3fka h THR 16 Cb -0.02 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3fka h THR 16 CO -0.03 0.13 -0.16 0.22 0.37 0.00 0.00 175.52 176.05 3fka h TYR 17 N 0.64 -0.41 0.00 3.16 3.20 -0.45 0.90 116.97 124.02 3fka h TYR 17 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3fka h TYR 17 Cb -0.05 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3fka h TYR 17 CO -0.04 -0.25 0.00 1.33 -1.64 0.00 0.00 178.16 177.56 3fka n VAL 18 N -5.28 0.01 -0.50 1.81 0.24 0.00 -4.57 118.33 110.05 3fka n VAL 18 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3fka n VAL 18 Cb 0.19 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 3fka n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fka n ALA 20 N 0.49 -0.08 0.00 2.33 0.00 0.31 -4.65 120.51 118.90 3fka n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fka n ALA 20 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3fka n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fka n THR 22 N -0.26 0.00 1.09 0.00 -1.04 -1.26 -0.77 114.28 112.04 3fka n THR 22 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 3fka n THR 22 Cb 0.04 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.11 3fka n THR 22 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fka n ARG 23 N 0.00 0.11 -3.22 -2.82 5.12 -1.26 -0.96 116.66 113.64 3fka n ARG 23 Ca 0.00 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.74 3fka n ARG 23 Cb 0.00 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 29.86 3fka n ARG 23 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fka n GLY 24 N 1.46 -0.14 3.47 -0.13 0.00 0.05 -4.63 105.19 105.27 3fka n GLY 24 Ca 0.08 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3fka n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fka s ASP 25 N -3.46 6.50 0.09 1.61 -1.08 0.01 -4.66 116.67 115.69 3fka s ASP 25 Ca 0.30 -1.68 -0.22 0.00 -0.52 0.00 0.00 52.55 50.43 3fka s ASP 25 Cb -0.13 -2.44 -0.13 0.00 -1.46 0.00 0.00 42.92 38.76 3fka s ASP 25 CO 0.53 -1.24 1.74 -0.09 0.52 0.00 0.00 175.17 176.63 3fka h ARG 26 N 9.19 0.06 -0.56 4.34 2.43 -1.92 -1.81 114.38 126.11 3fka h ARG 26 Ca 0.06 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 3fka h ARG 26 Cb 1.03 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.48 3fka h ARG 26 CO 1.18 0.06 0.07 -1.35 -1.51 0.00 0.00 179.97 178.42 3fka h PRO 27 N 0.05 0.19 -0.29 0.20 0.11 -1.99 0.46 132.00 130.72 3fka h PRO 27 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3fka h PRO 27 Cb 0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3fka h PRO 27 CO -0.00 0.12 0.14 0.00 -0.21 0.00 0.00 178.00 178.06 3fka h ALA 28 N 1.47 0.38 -0.50 -0.75 0.00 -1.95 -1.75 119.26 116.16 3fka h ALA 28 Ca 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fka h ALA 28 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fka h ALA 28 CO -0.41 -0.07 0.06 -0.07 0.00 0.00 0.00 179.25 178.77 3fka h LEU 29 N 0.34 0.74 -0.92 0.00 3.38 -0.88 -1.66 115.31 116.31 3fka h LEU 29 Ca 0.10 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3fka h LEU 29 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fka h LEU 29 CO -0.01 0.77 -0.49 -0.33 0.09 0.00 0.00 178.44 178.47 3fka h GLU 30 N 0.75 0.12 -0.20 1.13 5.08 -0.73 -1.79 114.58 118.94 3fka h GLU 30 Ca 0.16 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 3fka h GLU 30 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3fka h GLU 30 CO 0.01 0.59 -0.58 0.00 -1.00 0.00 0.00 179.01 178.02 3fka h ARG 31 N 0.10 0.65 0.00 2.33 3.08 -0.74 -3.34 114.38 116.45 3fka h ARG 31 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3fka h ARG 31 Cb 0.90 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3fka h ARG 31 CO 0.07 1.05 -0.76 0.44 -1.07 0.00 0.00 179.97 179.70 3fka n ILE 32 N -3.96 0.11 -4.70 2.04 -5.35 -0.68 -4.84 119.36 101.98 3fka n ILE 32 Ca -0.04 -0.12 -0.33 0.00 -0.27 0.00 0.00 62.75 61.99 3fka n ILE 32 Cb 0.63 0.28 -0.14 0.00 -1.74 0.00 0.00 39.64 38.67 3fka n ILE 32 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3fka s PHE 33 N -3.09 2.86 0.74 4.28 0.40 -0.68 0.12 117.98 122.60 3fka s PHE 33 Ca 0.07 -0.53 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 3fka s PHE 33 Cb 0.16 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.88 3fka s PHE 33 CO 0.76 -0.14 1.23 -0.06 0.70 0.00 0.00 175.22 177.71 3fka s PHE 34 N 0.27 1.96 0.35 0.36 0.08 -0.38 -4.73 117.98 115.88 3fka s PHE 34 Ca -0.08 1.60 0.05 0.00 0.12 0.00 0.00 56.93 58.62 3fka s PHE 34 Cb -0.15 -3.53 0.70 0.00 -0.57 0.00 0.00 43.02 39.46 3fka s PHE 34 CO 0.05 -2.79 1.94 0.78 -0.10 0.00 0.00 175.22 175.10 3fka h GLY 35 N -0.33 1.08 -1.26 4.36 0.00 -1.90 -1.58 103.07 103.44 3fka h GLY 35 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3fka h GLY 35 CO 0.49 0.23 0.00 0.28 0.00 0.00 0.00 176.54 177.54 3fka n LYS 36 N -4.49 1.92 -1.95 4.80 5.02 -1.26 -4.38 118.16 117.82 3fka n LYS 36 Ca 0.12 -1.40 -0.37 0.00 -2.02 0.00 0.00 58.31 54.64 3fka n LYS 36 Cb 0.25 -1.40 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3fka n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fka s ALA 37 N -1.65 2.66 0.17 7.82 0.00 -0.60 -4.90 121.76 125.26 3fka s ALA 37 Ca 0.32 1.12 0.09 0.00 0.00 0.00 0.00 51.96 53.50 3fka s ALA 37 Cb 0.18 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3fka s ALA 37 CO 0.25 -1.21 -0.20 -1.12 0.00 0.00 0.00 175.76 173.48 3fka s SER 38 N -1.35 2.92 -0.20 0.00 0.01 -1.24 -2.76 113.70 111.08 3fka s SER 38 Ca 0.74 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 57.16 3fka s SER 38 Cb -0.34 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.73 3fka s SER 38 CO 0.38 0.02 -0.16 -0.70 0.41 0.00 0.00 173.24 173.19 3fka s GLU 39 N -2.68 2.85 -0.03 12.44 2.12 -0.44 -1.64 118.70 131.31 3fka s GLU 39 Ca 0.17 -0.94 0.03 0.00 0.36 0.00 0.00 54.97 54.59 3fka s GLU 39 Cb -0.07 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.64 3fka s GLU 39 CO 0.08 -0.30 -0.12 0.08 -0.54 0.00 0.00 175.26 174.46 3fka s VAL 40 N 1.26 0.99 0.00 3.70 1.01 -0.15 -0.87 120.40 126.33 3fka s VAL 40 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3fka s VAL 40 Cb -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3fka s VAL 40 CO -0.10 0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3fka n GLY 41 N 3.20 -0.96 3.88 4.51 0.00 -0.95 -1.81 105.19 113.06 3fka n GLY 41 Ca -0.18 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 3fka n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fka s HIS 42 N -2.00 3.60 -0.10 1.61 3.76 -1.26 -0.47 115.29 120.43 3fka s HIS 42 Ca 0.00 0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 55.47 3fka s HIS 42 Cb 0.00 -2.00 0.05 0.00 1.11 0.00 0.00 32.58 31.74 3fka s HIS 42 CO 0.00 0.66 0.12 -0.47 -0.85 0.00 0.00 174.74 174.20 3fka s TYR 43 N -1.20 -0.03 -1.45 1.40 5.04 0.50 -4.70 117.35 116.92 3fka s TYR 43 Ca 0.23 0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 55.01 3fka s TYR 43 Cb -0.13 -0.44 0.04 0.00 0.35 0.00 0.00 41.96 41.78 3fka s TYR 43 CO 0.12 -0.33 1.01 0.39 -1.34 0.00 0.00 175.55 175.40 3fka n GLU 44 N 5.31 -6.51 0.00 4.97 -0.58 -1.26 -1.30 120.64 121.27 3fka n GLU 44 Ca -0.05 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 3fka n GLU 44 Cb 0.50 -5.70 0.00 0.00 -0.57 0.00 0.00 31.44 25.67 3fka n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fka n GLY 45 N -1.80 2.88 3.86 0.62 0.00 -1.26 -5.01 105.19 104.48 3fka n GLY 45 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3fka n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fka s GLU 46 N 0.00 3.75 -0.22 1.61 8.01 -0.42 -5.05 118.70 126.38 3fka s GLU 46 Ca 0.00 0.17 -0.29 0.00 0.01 0.00 0.00 54.97 54.86 3fka s GLU 46 Cb 0.00 -3.06 0.01 0.00 -4.31 0.00 0.00 34.13 26.76 3fka s GLU 46 CO 0.00 0.61 1.03 -1.17 0.01 0.00 0.00 175.26 175.75 3fka s LEU 47 N -1.67 4.11 -0.26 1.80 2.96 -1.26 -0.37 118.68 123.99 3fka s LEU 47 Ca 0.29 1.39 -0.08 0.00 -0.22 0.00 0.00 54.13 55.51 3fka s LEU 47 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3fka s LEU 47 CO 0.16 -0.65 0.09 -0.76 -1.32 0.00 0.00 176.35 173.88 3fka s LEU 48 N 3.09 3.57 -0.44 -0.68 1.02 0.38 -4.96 118.68 120.66 3fka s LEU 48 Ca 0.44 -0.19 0.04 0.00 0.02 0.00 0.00 54.13 54.44 3fka s LEU 48 Cb -0.15 -1.96 0.12 0.00 0.02 0.00 0.00 46.19 44.21 3fka s LEU 48 CO 0.07 -0.05 0.17 0.86 0.02 0.00 0.00 176.35 177.42 3fka s TRP 49 N 1.64 3.46 -0.11 0.29 -0.11 -1.26 -2.24 118.94 120.60 3fka s TRP 49 Ca 0.06 -3.07 -0.11 0.00 1.22 0.00 0.00 56.10 54.20 3fka s TRP 49 Cb -0.15 -2.89 -0.05 0.00 -1.50 0.00 0.00 33.47 28.88 3fka s TRP 49 CO 0.05 -0.84 0.25 -0.80 -4.62 0.00 0.00 176.95 170.98 3fka s ASN 50 N 0.32 6.48 0.95 5.86 0.01 -0.05 -4.96 114.94 123.55 3fka s ASN 50 Ca 0.14 0.57 -0.12 0.00 -0.71 0.00 0.00 52.86 52.74 3fka s ASN 50 Cb -0.23 -2.15 0.16 0.00 0.41 0.00 0.00 41.25 39.45 3fka s ASN 50 CO -0.04 0.28 1.12 -0.94 -1.51 0.00 0.00 177.10 176.02 3fka s SER 51 N -0.48 3.17 0.27 -1.22 1.04 -1.26 -1.33 113.70 113.89 3fka s SER 51 Ca 0.17 1.02 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 3fka s SER 51 Cb -0.13 -1.62 0.33 0.00 0.10 0.00 0.00 66.02 64.70 3fka s SER 51 CO 0.06 -2.77 1.90 -0.09 0.98 0.00 0.00 173.24 173.31 3fka h ARG 52 N -1.65 1.14 -0.22 4.02 2.43 -1.72 -0.43 114.38 117.96 3fka h ARG 52 Ca -0.52 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 58.55 3fka h ARG 52 Cb 1.33 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3fka h ARG 52 CO 0.60 0.82 0.10 -0.44 -1.51 0.00 0.00 179.97 179.55 3fka h ASP 53 N 1.15 0.15 -0.28 -3.80 3.32 -1.91 0.11 116.42 115.17 3fka h ASP 53 Ca 0.30 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3fka h ASP 53 Cb -0.01 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3fka h ASP 53 CO -0.05 0.12 0.13 0.00 -1.72 0.00 0.00 179.24 177.71 3fka h ALA 54 N 1.11 0.36 -0.23 3.45 0.00 -1.79 -0.44 119.26 121.71 3fka h ALA 54 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fka h ALA 54 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3fka h ALA 54 CO -0.06 -0.07 0.07 0.35 0.00 0.00 0.00 179.25 179.54 3fka h PHE 55 N 0.31 0.13 -0.66 0.00 3.57 -0.88 -2.85 116.94 116.55 3fka h PHE 55 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3fka h PHE 55 Cb 0.14 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3fka h PHE 55 CO -0.02 0.06 0.23 0.82 -2.23 0.00 0.00 178.31 177.17 3fka h ILE 56 N 0.18 1.25 0.00 1.41 2.04 -0.86 -1.87 117.51 119.65 3fka h ILE 56 Ca 0.10 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3fka h ILE 56 Cb 0.08 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3fka h ILE 56 CO -0.11 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.36 3fka n ALA 57 N -2.41 1.06 0.00 1.87 0.00 -0.19 -0.76 120.51 120.09 3fka n ALA 57 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fka n ALA 57 Cb 0.20 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3fka n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fka h GLU 60 N 0.00 0.92 -0.76 0.00 5.08 -1.21 -0.58 114.58 118.03 3fka h GLU 60 Ca 0.00 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3fka h GLU 60 Cb 0.00 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3fka h GLU 60 CO 0.00 0.73 0.45 -0.44 -1.00 0.00 0.00 179.01 178.76 3fka h ASP 61 N 0.88 0.91 -0.38 1.42 3.32 -1.36 -2.83 116.42 118.38 3fka h ASP 61 Ca 0.22 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3fka h ASP 61 Cb 0.12 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3fka h ASP 61 CO -0.03 0.71 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 3fka n ALA 62 N -2.34 2.45 -1.62 3.45 0.00 -1.14 -5.02 120.51 116.30 3fka n ALA 62 Ca 0.07 -0.85 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 3fka n ALA 62 Cb 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3fka n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fka n ALA 63 N 1.03 0.23 -3.82 0.00 0.00 -0.24 -4.92 120.51 112.79 3fka n ALA 63 Ca 0.18 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.62 3fka n ALA 63 Cb 0.48 -2.09 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 3fka n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fka s ASP 64 N -0.66 2.59 0.19 0.00 -1.08 -0.13 -4.99 116.67 112.58 3fka s ASP 64 Ca 0.62 -0.59 0.26 0.00 -0.52 0.00 0.00 52.55 52.32 3fka s ASP 64 Cb -0.58 -0.72 0.86 0.00 -1.46 0.00 0.00 42.92 41.02 3fka s ASP 64 CO 0.58 -0.22 1.79 0.00 0.52 0.00 0.00 175.17 177.84 3fka n ALA 65 N 4.98 2.28 -0.03 3.66 0.00 -1.26 -4.00 120.51 126.13 3fka n ALA 65 Ca -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3fka n ALA 65 Cb 0.48 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 3fka n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fka n GLU 66 N -2.18 2.51 -2.23 0.00 4.71 -1.26 -5.06 120.64 117.13 3fka n GLU 66 Ca 0.06 0.01 -0.36 0.00 -0.01 0.00 0.00 57.16 56.86 3fka n GLU 66 Cb 0.42 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 3fka n GLU 66 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 3fka s THR 67 N -2.15 3.09 -0.49 2.62 -1.32 -1.26 -4.99 115.64 111.14 3fka s THR 67 Ca -0.04 0.71 -0.16 0.00 -1.21 0.00 0.00 61.69 60.99 3fka s THR 67 Cb 0.02 -3.31 0.08 0.00 -1.51 0.00 0.00 72.50 67.78 3fka s THR 67 CO 0.24 -0.11 0.44 -1.81 -2.21 0.00 0.00 174.62 171.16 3fka s ASP 68 N -1.64 6.16 0.43 8.08 1.01 -1.26 -5.04 116.67 124.41 3fka s ASP 68 Ca 0.71 -1.37 -0.22 0.00 0.71 0.00 0.00 52.55 52.38 3fka s ASP 68 Cb -0.26 -2.20 -0.09 0.00 1.01 0.00 0.00 42.92 41.38 3fka s ASP 68 CO 0.30 -0.71 1.01 -2.16 0.21 0.00 0.00 175.17 173.82 3fka s PRO 69 N 1.73 4.10 0.17 8.23 0.04 -1.26 -5.02 135.00 143.00 3fka s PRO 69 Ca 0.05 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 3fka s PRO 69 Cb -0.25 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 3fka s PRO 69 CO 0.06 -0.17 1.04 0.12 0.04 0.00 0.00 177.00 178.10 3fka s PHE 70 N -1.90 3.70 0.07 0.56 5.36 -1.26 -4.99 117.98 119.53 3fka s PHE 70 Ca 0.61 1.70 -0.26 0.00 -0.96 0.00 0.00 56.93 58.02 3fka s PHE 70 Cb -0.16 -3.18 0.08 0.00 -0.34 0.00 0.00 43.02 39.41 3fka s PHE 70 CO 0.21 -0.25 0.68 1.67 -1.46 0.00 0.00 175.22 176.07 3fka s TRP 71 N -0.36 -0.52 -0.09 10.12 1.48 -1.26 -1.90 118.94 126.41 3fka s TRP 71 Ca 0.47 0.48 -0.23 0.00 -1.06 0.00 0.00 56.10 55.77 3fka s TRP 71 Cb -0.28 0.52 0.05 0.00 -1.16 0.00 0.00 33.47 32.61 3fka s TRP 71 CO 0.34 -0.72 0.54 0.00 -4.06 0.00 0.00 176.95 173.05 3fka s ALA 72 N -3.00 -1.39 -0.28 2.67 0.00 -0.21 -4.99 121.76 114.56 3fka s ALA 72 Ca -0.01 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3fka s ALA 72 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3fka s ALA 72 CO -0.07 -0.31 0.37 0.42 0.00 0.00 0.00 175.76 176.17 3fka s ILE 73 N -0.77 5.17 -0.09 0.00 1.01 -1.26 -0.54 121.20 124.72 3fka s ILE 73 Ca -0.08 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.09 3fka s ILE 73 Cb -0.03 -3.71 -0.25 0.00 0.01 0.00 0.00 42.46 38.49 3fka s ILE 73 CO 0.06 0.13 0.48 -1.20 0.00 0.00 0.00 174.94 174.41 3fka n SER 74 N 5.34 1.56 -3.55 3.58 7.64 0.26 -4.99 113.62 123.46 3fka n SER 74 Ca -0.09 0.29 -0.16 0.00 1.01 0.00 0.00 58.87 59.92 3fka n SER 74 Cb 0.51 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 3fka n SER 74 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3fka s SER 75 N -6.60 -0.56 -0.05 6.43 0.15 -1.05 -4.97 113.70 107.05 3fka s SER 75 Ca -0.15 0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 3fka s SER 75 Cb 0.07 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 3fka s SER 75 CO 0.79 -0.64 0.10 0.68 1.20 0.00 0.00 173.24 175.37 3fka s VAL 76 N -1.66 -0.09 -0.00 4.45 -7.23 -1.26 -1.08 120.40 113.52 3fka s VAL 76 Ca -0.09 0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.37 3fka s VAL 76 Cb -0.01 -0.19 -0.01 0.00 0.56 0.00 0.00 36.38 36.73 3fka s VAL 76 CO 0.05 0.10 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.37 3fka s SER 77 N 1.44 1.57 -0.02 4.85 0.01 -1.26 -5.03 113.70 115.26 3fka s SER 77 Ca -0.06 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3fka s SER 77 Cb -0.12 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.96 3fka s SER 77 CO -0.05 0.14 -0.00 -0.69 0.41 0.00 0.00 173.24 173.05 3fka s VAL 78 N -0.40 0.14 -0.24 3.43 1.01 -1.26 -4.25 120.40 118.82 3fka s VAL 78 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 3fka s VAL 78 Cb -0.06 -0.20 0.08 0.00 0.00 0.00 0.00 36.38 36.20 3fka s VAL 78 CO -0.00 0.10 0.06 -1.10 0.00 0.00 0.00 175.10 174.15 3fka s GLN 79 N 0.64 0.72 7.15 2.72 -1.52 -0.31 -5.01 119.66 124.04 3fka s GLN 79 Ca -0.06 -0.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 3fka s GLN 79 Cb -0.09 -2.05 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 3fka s GLN 79 CO -0.01 -0.78 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 3fka n GLY 80 N 4.97 4.00 1.53 3.09 0.00 -1.26 -1.40 105.19 116.11 3fka n GLY 80 Ca -0.07 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.23 3fka n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fka n ASP 81 N 8.59 4.53 -4.37 1.61 5.68 -1.26 -4.90 116.55 126.43 3fka n ASP 81 Ca 0.00 -2.44 -0.26 0.00 -0.50 0.00 0.00 54.79 51.58 3fka n ASP 81 Cb 0.00 -0.57 -0.12 0.00 -1.14 0.00 0.00 41.12 39.29 3fka n ASP 81 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3fka s ILE 82 N -1.89 2.10 0.00 2.12 -4.36 -0.50 -0.78 121.20 117.89 3fka s ILE 82 Ca 0.48 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 3fka s ILE 82 Cb 0.31 -1.91 0.00 0.00 1.25 0.00 0.00 42.46 42.11 3fka s ILE 82 CO 0.22 -0.06 0.00 0.00 0.24 0.00 0.00 174.94 175.34 3fka n ALA 83 N 0.68 0.00 0.00 2.27 0.00 -0.13 -1.17 120.51 122.16 3fka n ALA 83 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3fka n ALA 83 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3fka n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fka n LEU 85 N 0.00 0.00 -4.22 0.00 4.77 0.39 -0.76 117.00 117.18 3fka n LEU 85 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3fka n LEU 85 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3fka n LEU 85 CO 0.00 0.00 -0.43 -2.28 -1.33 0.00 0.00 177.39 173.35 3fka s HIS 86 N -1.01 2.95 -0.03 -1.77 5.65 -0.24 -0.95 115.29 119.88 3fka s HIS 86 Ca 0.00 -1.37 0.05 0.00 0.25 0.00 0.00 55.06 53.99 3fka s HIS 86 Cb 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 32.58 29.36 3fka s HIS 86 CO 0.00 -0.69 -0.17 0.08 -0.65 0.00 0.00 174.74 173.31 3fka s VAL 87 N 1.37 1.43 -0.19 0.89 1.01 -0.32 -0.57 120.40 124.02 3fka s VAL 87 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 3fka s VAL 87 Cb -0.15 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 3fka s VAL 87 CO -0.06 0.41 0.11 -1.61 0.00 0.00 0.00 175.10 173.95 3fka s GLU 88 N -0.11 4.08 0.08 2.72 2.02 0.30 -0.01 118.70 127.79 3fka s GLU 88 Ca -0.00 -0.24 -0.22 0.00 0.02 0.00 0.00 54.97 54.52 3fka s GLU 88 Cb -0.10 -3.35 0.06 0.00 0.10 0.00 0.00 34.13 30.83 3fka s GLU 88 CO 0.01 0.33 0.54 0.54 0.02 0.00 0.00 175.26 176.70 3fka s ASN 89 N 0.26 -0.47 -0.12 -0.19 2.20 -0.71 -1.05 114.94 114.87 3fka s ASN 89 Ca 0.07 0.10 -0.07 0.00 -0.94 0.00 0.00 52.86 52.02 3fka s ASN 89 Cb -0.11 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 39.62 3fka s ASN 89 CO -0.01 -0.80 0.15 -1.81 -2.94 0.00 0.00 177.10 171.68 3fka s ASP 90 N -2.25 6.39 -0.20 3.54 1.01 -0.80 -0.20 116.67 124.18 3fka s ASP 90 Ca -0.03 0.47 -0.10 0.00 0.71 0.00 0.00 52.55 53.60 3fka s ASP 90 Cb -0.00 -2.08 0.07 0.00 1.01 0.00 0.00 42.92 41.92 3fka s ASP 90 CO -0.05 0.40 0.47 0.86 0.21 0.00 0.00 175.17 177.06 3fka s TRP 91 N -0.98 -0.72 -1.47 4.23 -0.00 -1.26 -4.75 118.94 113.98 3fka s TRP 91 Ca 0.15 1.49 -0.12 0.00 -0.00 0.00 0.00 56.10 57.62 3fka s TRP 91 Cb -0.12 0.35 0.09 0.00 -0.00 0.00 0.00 33.47 33.79 3fka s TRP 91 CO 0.04 -0.40 0.74 0.00 -0.00 0.00 0.00 176.95 177.34 3fka n ALA 92 N 4.36 -1.17 -1.97 5.86 0.00 -1.26 -4.71 120.51 121.62 3fka n ALA 92 Ca -0.22 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3fka n ALA 92 Cb 0.56 -3.66 0.01 0.00 0.00 0.00 0.00 19.45 16.35 3fka n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fka n GLY 93 N -1.44 0.49 2.99 0.00 0.00 -1.26 -5.24 105.19 100.73 3fka n GLY 93 Ca 0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3fka n GLY 93 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fka s ARG 95 N -3.80 0.15 0.15 1.61 3.52 -1.26 -5.15 118.95 114.17 3fka s ARG 95 Ca 0.01 0.38 0.10 0.00 -0.13 0.00 0.00 55.73 56.10 3fka s ARG 95 Cb -0.00 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 3fka s ARG 95 CO 0.06 -0.13 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.12 3fka s PHE 96 N 0.96 2.15 -0.22 5.12 0.40 0.72 -1.01 117.98 126.10 3fka s PHE 96 Ca -0.07 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.82 3fka s PHE 96 Cb -0.09 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 3fka s PHE 96 CO -0.05 0.37 -0.01 -0.51 0.70 0.00 0.00 175.22 175.72 3fka s ASP 97 N -2.35 4.61 -0.13 1.36 1.01 -0.53 -1.73 116.67 118.91 3fka s ASP 97 Ca 0.15 -0.30 -0.02 0.00 0.71 0.00 0.00 52.55 53.09 3fka s ASP 97 Cb -0.09 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 42.02 3fka s ASP 97 CO 0.07 -0.00 -0.07 -1.81 0.21 0.00 0.00 175.17 173.57 3fka s ASP 98 N 1.39 4.53 -0.21 0.27 1.01 0.99 -1.66 116.67 123.00 3fka s ASP 98 Ca 0.05 -0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.11 3fka s ASP 98 Cb -0.15 -1.58 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 3fka s ASP 98 CO -0.00 0.21 -0.05 -0.36 0.21 0.00 0.00 175.17 175.18 3fka s PHE 99 N 0.08 2.95 -0.02 4.23 0.08 0.32 -1.17 117.98 124.45 3fka s PHE 99 Ca -0.02 -0.89 0.07 0.00 0.12 0.00 0.00 56.93 56.21 3fka s PHE 99 Cb -0.14 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 3fka s PHE 99 CO 0.03 -0.50 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.91 3fka s LEU 100 N 1.32 2.05 -0.02 -0.37 1.43 -0.12 -1.06 118.68 121.91 3fka s LEU 100 Ca 0.04 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 3fka s LEU 100 Cb -0.14 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3fka s LEU 100 CO -0.02 0.29 -0.17 0.42 0.23 0.00 0.00 176.35 177.10 3fka s THR 101 N -0.51 2.87 0.02 5.49 -4.23 -0.42 -0.46 115.64 118.40 3fka s THR 101 Ca 0.08 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3fka s THR 101 Cb -0.10 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3fka s THR 101 CO -0.00 0.51 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.86 3fka s VAL 102 N -0.78 0.22 -0.04 2.29 1.01 0.06 -0.70 120.40 122.45 3fka s VAL 102 Ca 0.12 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3fka s VAL 102 Cb -0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 3fka s VAL 102 CO 0.02 -0.41 -0.17 -0.22 0.00 0.00 0.00 175.10 174.32 3fka s LEU 103 N -1.32 1.91 -0.44 3.92 2.96 -0.48 -0.96 118.68 124.28 3fka s LEU 103 Ca -0.13 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.18 3fka s LEU 103 Cb -0.09 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.65 3fka s LEU 103 CO -0.01 0.15 0.89 -0.22 -1.32 0.00 0.00 176.35 175.84 3fka s LEU 104 N 0.06 4.06 -0.07 -0.68 2.96 0.04 -0.83 118.68 124.21 3fka s LEU 104 Ca -0.04 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3fka s LEU 104 Cb -0.12 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.45 3fka s LEU 104 CO 0.02 -0.97 -0.06 -2.28 -1.32 0.00 0.00 176.35 171.74 3fka s HIS 105 N 3.58 1.12 -1.45 5.38 5.65 -0.14 -4.81 115.29 124.62 3fka s HIS 105 Ca 0.35 -0.44 -0.04 0.00 0.25 0.00 0.00 55.06 55.19 3fka s HIS 105 Cb -0.11 -0.95 0.03 0.00 -1.18 0.00 0.00 32.58 30.37 3fka s HIS 105 CO 0.24 -0.33 0.57 0.39 -0.65 0.00 0.00 174.74 174.95 3fka n GLU 106 N 4.45 -3.74 -0.95 2.88 -0.58 -1.26 -1.82 120.64 119.62 3fka n GLU 106 Ca -0.18 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 3fka n GLU 106 Cb 0.51 -4.80 0.00 0.00 -0.57 0.00 0.00 31.44 26.57 3fka n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fka n GLY 107 N -1.81 0.72 3.06 0.62 0.00 -1.26 -5.02 105.19 101.51 3fka n GLY 107 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3fka n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fka s SER 108 N -2.58 1.77 -0.21 1.61 0.01 -0.76 -5.11 113.70 108.43 3fka s SER 108 Ca 0.00 -0.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 3fka s SER 108 Cb 0.00 -0.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.64 3fka s SER 108 CO 0.00 0.09 1.16 0.26 0.41 0.00 0.00 173.24 175.16 3fka s TRP 109 N 0.28 3.06 -0.02 2.43 0.52 -1.26 -0.97 118.94 122.98 3fka s TRP 109 Ca -0.07 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.30 3fka s TRP 109 Cb -0.12 -3.45 -0.01 0.00 -1.15 0.00 0.00 33.47 28.74 3fka s TRP 109 CO 0.02 -1.13 -0.18 1.03 0.02 0.00 0.00 176.95 176.71 3fka s ARG 110 N 3.44 1.60 0.05 4.98 0.52 -0.01 -4.87 118.95 124.66 3fka s ARG 110 Ca 0.50 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3fka s ARG 110 Cb -0.18 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.75 3fka s ARG 110 CO 0.12 0.36 1.11 0.42 0.02 0.00 0.00 175.30 177.33 3fka s ILE 111 N -0.31 4.33 -0.20 1.52 1.01 0.12 -1.38 121.20 126.28 3fka s ILE 111 Ca 0.04 1.70 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 3fka s ILE 111 Cb -0.08 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 38.10 3fka s ILE 111 CO 0.00 0.15 0.02 0.52 0.00 0.00 0.00 174.94 175.63 3fka n VAL 112 N 3.77 1.61 -3.76 2.92 0.31 0.13 -1.25 118.33 122.06 3fka n VAL 112 Ca 0.07 -0.52 -0.13 0.00 -0.01 0.00 0.00 64.34 63.75 3fka n VAL 112 Cb 0.48 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 3fka n VAL 112 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3fka s SER 113 N -6.88 -0.28 -0.07 4.52 0.15 -1.17 -3.64 113.70 106.33 3fka s SER 113 Ca -0.30 0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.81 3fka s SER 113 Cb 0.09 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 3fka s SER 113 CO 0.65 -0.22 -0.05 -0.75 1.20 0.00 0.00 173.24 174.07 3fka s LYS 114 N -0.33 1.01 0.06 5.44 2.20 -0.65 -1.31 119.74 126.15 3fka s LYS 114 Ca -0.05 -0.10 0.09 0.00 -0.36 0.00 0.00 55.97 55.55 3fka s LYS 114 Cb -0.03 -1.10 -0.03 0.00 -1.51 0.00 0.00 37.83 35.15 3fka s LYS 114 CO 0.02 -0.18 -0.25 0.14 -0.36 0.00 0.00 175.35 174.72 3fka s VAL 115 N 1.39 2.03 0.08 4.02 -7.23 -0.22 -0.98 120.40 119.48 3fka s VAL 115 Ca -0.03 -1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 3fka s VAL 115 Cb -0.13 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 3fka s VAL 115 CO -0.03 0.29 0.11 -0.72 -0.31 0.00 0.00 175.10 174.44 3fka s TYR 116 N -0.84 0.30 0.02 2.82 -0.85 -0.75 -0.52 117.35 117.53 3fka s TYR 116 Ca 0.11 -0.77 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 3fka s TYR 116 Cb -0.10 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.04 3fka s TYR 116 CO 0.02 -0.49 -0.04 -0.98 -1.52 0.00 0.00 175.55 172.55 3fka s ARG 117 N -3.89 0.31 -0.23 -3.49 1.04 -0.66 -4.30 118.95 107.72 3fka s ARG 117 Ca 0.06 -0.46 -0.14 0.00 -1.04 0.00 0.00 55.73 54.15 3fka s ARG 117 Cb 0.06 -0.07 -0.04 0.00 -2.04 0.00 0.00 34.95 32.85 3fka s ARG 117 CO -0.10 0.00 0.32 0.42 -0.04 0.00 0.00 175.30 175.91 3fka s ILE 118 N -0.96 5.24 -2.00 4.99 1.01 -1.26 -1.46 121.20 126.76 3fka s ILE 118 Ca -0.09 0.52 0.20 0.00 0.00 0.00 0.00 60.65 61.29 3fka s ILE 118 Cb -0.07 -3.66 0.58 0.00 0.01 0.00 0.00 42.46 39.32 3fka s ILE 118 CO -0.00 0.25 1.60 0.54 0.00 0.00 0.00 174.94 177.33