#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfe n ALA 13 N 0.00 0.49 -3.66 -1.18 0.00 -1.26 -4.96 120.51 109.95 1sfe n ALA 13 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.70 1sfe n ALA 13 Cb 0.00 -2.24 -0.17 0.00 0.00 0.00 0.00 19.45 17.05 1sfe n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sfe s VAL 14 N 0.57 0.53 0.08 0.00 1.01 -1.26 -4.10 120.40 117.23 1sfe s VAL 14 Ca 0.79 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1sfe s VAL 14 Cb -0.77 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1sfe s VAL 14 CO 0.43 0.24 -0.01 -0.13 0.00 0.00 0.00 175.10 175.62 1sfe s ARG 15 N 1.11 2.52 0.06 2.72 0.52 0.42 -2.04 118.95 124.26 1sfe s ARG 15 Ca -0.08 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.24 1sfe s ARG 15 Cb -0.14 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1sfe s ARG 15 CO -0.01 0.55 0.11 1.52 0.02 0.00 0.00 175.30 177.49 1sfe s TYR 16 N -1.27 0.23 0.03 -0.53 -0.85 -0.81 -0.14 117.35 114.01 1sfe s TYR 16 Ca 0.24 -0.60 -0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1sfe s TYR 16 Cb -0.12 -0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.05 1sfe s TYR 16 CO 0.17 -0.43 0.02 0.00 -1.52 0.00 0.00 175.55 173.78 1sfe s ALA 17 N -3.21 0.15 -0.08 9.51 0.00 -0.54 -3.38 121.76 124.21 1sfe s ALA 17 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1sfe s ALA 17 Cb 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1sfe s ALA 17 CO -0.07 -0.27 -0.16 -0.51 0.00 0.00 0.00 175.76 174.74 1sfe s LEU 18 N -2.07 2.57 0.13 0.00 1.02 -1.26 -1.70 118.68 117.38 1sfe s LEU 18 Ca -0.06 -0.32 -0.07 0.00 0.02 0.00 0.00 54.13 53.70 1sfe s LEU 18 Cb -0.02 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.64 1sfe s LEU 18 CO -0.04 0.25 0.18 0.00 0.02 0.00 0.00 176.35 176.76 1sfe s ALA 19 N -0.18 0.17 0.19 4.21 0.00 -0.76 -5.02 121.76 120.37 1sfe s ALA 19 Ca -0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 1sfe s ALA 19 Cb -0.13 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.63 1sfe s ALA 19 CO 0.03 -0.55 0.49 -0.51 0.00 0.00 0.00 175.76 175.22 1sfe s ASP 20 N -2.95 6.58 0.29 0.00 1.01 -1.26 -1.21 116.67 119.13 1sfe s ASP 20 Ca 0.14 0.80 -0.14 0.00 0.71 0.00 0.00 52.55 54.07 1sfe s ASP 20 Cb 0.05 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.81 1sfe s ASP 20 CO -0.03 -0.02 0.59 0.00 0.21 0.00 0.00 175.17 175.92 1sfe h GLU 22 N 2.13 0.20 -0.09 0.00 5.08 -1.92 0.33 114.58 120.30 1sfe h GLU 22 Ca -0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1sfe h GLU 22 Cb 1.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sfe h GLU 22 CO 0.34 0.13 0.00 1.28 -1.00 0.00 0.00 179.01 179.76 1sfe n LEU 23 N -4.42 1.26 0.00 1.33 7.99 -1.26 -5.03 117.00 116.88 1sfe n LEU 23 Ca 0.13 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.64 1sfe n LEU 23 Cb 0.62 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1sfe n LEU 23 CO 0.35 0.25 0.00 0.61 -1.51 0.00 0.00 177.39 177.09 1sfe n GLY 24 N 1.09 0.33 3.73 -0.72 0.00 0.11 -4.74 105.19 104.99 1sfe n GLY 24 Ca 0.17 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1sfe n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sfe s ARG 25 N 0.00 4.67 0.10 1.61 6.06 -0.31 -0.60 118.95 130.48 1sfe s ARG 25 Ca 0.00 1.41 0.04 0.00 -2.50 0.00 0.00 55.73 54.68 1sfe s ARG 25 Cb 0.00 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 1sfe s ARG 25 CO 0.00 0.20 -0.11 0.00 -2.50 0.00 0.00 175.30 172.89 1sfe s LEU 27 N -2.44 2.18 -0.09 0.00 0.20 -0.03 -1.84 118.68 116.67 1sfe s LEU 27 Ca 0.06 -0.57 -0.00 0.00 0.69 0.00 0.00 54.13 54.31 1sfe s LEU 27 Cb -0.04 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 1sfe s LEU 27 CO 0.01 0.09 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.41 1sfe s VAL 28 N 0.75 3.75 0.02 1.68 1.01 -0.69 -0.70 120.40 126.23 1sfe s VAL 28 Ca -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1sfe s VAL 28 Cb -0.16 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1sfe s VAL 28 CO -0.00 0.58 -0.08 0.00 0.00 0.00 0.00 175.10 175.60 1sfe s ALA 29 N -0.55 0.59 -0.04 5.51 0.00 -0.15 -1.46 121.76 125.65 1sfe s ALA 29 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1sfe s ALA 29 Cb -0.12 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1sfe s ALA 29 CO 0.02 0.06 0.09 -2.00 0.00 0.00 0.00 175.76 173.93 1sfe s GLU 30 N -0.91 0.03 0.00 0.00 2.12 0.80 -1.52 118.70 119.22 1sfe s GLU 30 Ca -0.03 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.58 1sfe s GLU 30 Cb -0.06 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.11 1sfe s GLU 30 CO 0.00 -0.17 0.00 -1.13 -0.54 0.00 0.00 175.26 173.42 1sfe n SER 31 N 4.22 0.00 0.02 -1.70 3.41 -0.75 -0.43 113.62 118.38 1sfe n SER 31 Ca -0.27 -0.25 0.14 0.00 -0.26 0.00 0.00 58.87 58.23 1sfe n SER 31 Cb 0.51 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.99 1sfe n SER 31 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sfe n GLU 32 N -0.25 0.05 -0.01 4.33 4.07 -1.26 -3.51 120.64 124.06 1sfe n GLU 32 Ca 0.00 0.04 -0.11 0.00 -0.06 0.00 0.00 57.16 57.03 1sfe n GLU 32 Cb 0.00 -1.56 -0.14 0.00 -0.06 0.00 0.00 31.44 29.68 1sfe n GLU 32 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sfe h ARG 33 N 0.00 0.05 0.00 5.31 3.08 -1.94 -3.51 114.38 117.37 1sfe h ARG 33 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1sfe h ARG 33 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1sfe h ARG 33 CO 0.00 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 179.94 1sfe n GLY 34 N 1.63 -1.77 3.67 0.04 0.00 -1.23 -4.57 105.19 102.96 1sfe n GLY 34 Ca -0.19 -1.29 -0.47 0.00 0.00 0.00 0.00 46.02 44.07 1sfe n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sfe n ILE 35 N 5.89 0.61 0.41 -0.61 2.08 -0.50 -1.81 119.36 125.43 1sfe n ILE 35 Ca 0.00 -0.12 0.05 0.00 0.56 0.00 0.00 62.75 63.23 1sfe n ILE 35 Cb 0.00 -1.98 0.01 0.00 -0.75 0.00 0.00 39.64 36.92 1sfe n ILE 35 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sfe s ALA 37 N -1.13 -2.02 -0.21 0.00 0.00 -1.15 -4.83 121.76 112.43 1sfe s ALA 37 Ca 0.09 1.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.91 1sfe s ALA 37 Cb 0.08 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.77 1sfe s ALA 37 CO 0.19 -0.24 0.07 0.42 0.00 0.00 0.00 175.76 176.21 1sfe s ILE 38 N 0.33 0.27 0.02 0.00 1.01 -0.07 -0.98 121.20 121.78 1sfe s ILE 38 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1sfe s ILE 38 Cb -0.05 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1sfe s ILE 38 CO -0.08 -0.34 -0.23 -0.76 0.00 0.00 0.00 174.94 173.54 1sfe s LEU 39 N 1.96 2.33 0.12 2.97 1.43 0.13 -1.71 118.68 125.92 1sfe s LEU 39 Ca 0.02 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1sfe s LEU 39 Cb -0.17 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1sfe s LEU 39 CO -0.13 0.28 -0.19 -0.76 0.23 0.00 0.00 176.35 175.77 1sfe s LEU 40 N -1.15 2.66 0.00 1.79 1.43 -1.26 -0.85 118.68 121.30 1sfe s LEU 40 Ca 0.12 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1sfe s LEU 40 Cb -0.10 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1sfe s LEU 40 CO 0.02 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1sfe n GLY 41 N 0.75 -1.13 0.05 -3.19 0.00 0.78 -4.93 105.19 97.52 1sfe n GLY 41 Ca -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 1sfe n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sfe n ASP 42 N 0.04 1.35 -3.96 1.61 8.00 -1.26 -1.16 116.55 121.16 1sfe n ASP 42 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1sfe n ASP 42 Cb 0.00 1.19 -0.14 0.00 -0.02 0.00 0.00 41.12 42.15 1sfe n ASP 42 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1sfe s ASP 43 N -4.45 0.53 0.19 -2.24 -4.77 -1.26 -4.81 116.67 99.86 1sfe s ASP 43 Ca -0.07 -0.19 -0.12 0.00 -3.30 0.00 0.00 52.55 48.87 1sfe s ASP 43 Cb 0.07 -0.03 0.16 0.00 -1.09 0.00 0.00 42.92 42.03 1sfe s ASP 43 CO 0.63 -0.02 1.81 0.44 0.70 0.00 0.00 175.17 178.72 1sfe h ASP 44 N 5.65 0.51 -0.61 2.11 3.32 -1.99 -2.65 116.42 122.77 1sfe h ASP 44 Ca -0.29 0.02 0.13 0.00 0.02 0.00 0.00 57.03 56.90 1sfe h ASP 44 Cb 1.20 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 1sfe h ASP 44 CO 0.48 0.35 -0.04 0.00 -1.72 0.00 0.00 179.24 178.31 1sfe h ALA 45 N 1.28 0.55 -0.21 3.45 0.00 -1.99 -0.58 119.26 121.77 1sfe h ALA 45 Ca 0.25 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.27 1sfe h ALA 45 Cb 0.09 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sfe h ALA 45 CO -0.14 -0.41 -0.21 1.79 0.00 0.00 0.00 179.25 180.29 1sfe h THR 46 N 0.08 1.33 -0.45 0.00 1.35 -1.95 -1.74 112.91 111.53 1sfe h THR 46 Ca 0.31 -1.37 0.06 0.00 -0.55 0.00 0.00 66.41 64.87 1sfe h THR 46 Cb 0.50 1.75 -0.05 0.00 -1.73 0.00 0.00 68.15 68.62 1sfe h THR 46 CO -0.55 0.42 0.15 -0.07 -0.25 0.00 0.00 175.52 175.21 1sfe h LEU 47 N 0.18 0.13 -0.75 3.87 3.38 -1.06 0.23 115.31 121.29 1sfe h LEU 47 Ca 0.03 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1sfe h LEU 47 Cb 0.75 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1sfe h LEU 47 CO 0.05 0.11 -0.01 0.40 0.09 0.00 0.00 178.44 179.07 1sfe h ILE 48 N 0.31 1.26 -0.12 1.22 2.04 -1.09 0.14 117.51 121.27 1sfe h ILE 48 Ca 0.22 -1.11 -0.22 0.00 1.00 0.00 0.00 64.86 64.75 1sfe h ILE 48 Cb 0.23 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1sfe h ILE 48 CO -0.23 0.40 -0.79 0.77 0.00 0.00 0.00 178.15 178.29 1sfe h SER 49 N 0.86 0.81 -0.46 1.72 4.64 -0.86 0.29 113.55 120.55 1sfe h SER 49 Ca 0.16 -0.55 0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1sfe h SER 49 Cb 0.53 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 1sfe h SER 49 CO 0.03 1.33 0.14 -0.08 -0.87 0.00 0.00 176.83 177.38 1sfe h GLU 50 N 0.45 0.29 -0.37 4.77 4.81 -0.01 0.23 114.58 124.76 1sfe h GLU 50 Ca -0.05 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1sfe h GLU 50 Cb 1.41 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1sfe h GLU 50 CO 0.16 0.19 -0.03 1.25 -0.73 0.00 0.00 179.01 179.85 1sfe h LEU 51 N 0.30 0.67 -1.66 1.64 7.12 -0.63 -2.83 115.31 119.91 1sfe h LEU 51 Ca 0.22 -0.33 0.04 0.00 0.13 0.00 0.00 57.88 57.95 1sfe h LEU 51 Cb 0.25 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.17 1sfe h LEU 51 CO -0.25 0.83 0.30 -0.61 -0.13 0.00 0.00 178.44 178.58 1sfe h GLN 52 N 0.49 0.42 -0.86 1.25 4.15 0.34 0.59 115.11 121.49 1sfe h GLN 52 Ca 0.10 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1sfe h GLN 52 Cb 0.51 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 1sfe h GLN 52 CO 0.02 0.28 0.53 0.37 -1.93 0.00 0.00 178.83 178.11 1sfe h GLN 53 N 0.43 0.95 0.04 1.69 4.15 -0.30 -2.10 115.11 119.98 1sfe h GLN 53 Ca 0.19 -0.06 -0.36 0.00 0.77 0.00 0.00 58.65 59.19 1sfe h GLN 53 Cb 0.20 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 1sfe h GLN 53 CO -0.05 0.63 -2.12 0.00 -1.93 0.00 0.00 178.83 175.37 1sfe n MET 54 N -4.61 0.69 -3.67 1.69 0.00 -0.54 -4.75 117.12 105.92 1sfe n MET 54 Ca 0.12 0.20 -0.29 0.00 0.00 0.00 0.00 57.70 57.72 1sfe n MET 54 Cb 0.17 -1.65 -0.13 0.00 0.00 0.00 0.00 33.22 31.61 1sfe n MET 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1sfe s PHE 55 N -2.55 1.84 0.25 3.17 0.08 0.20 -5.05 117.98 115.92 1sfe s PHE 55 Ca -0.19 -2.36 -0.01 0.00 0.12 0.00 0.00 56.93 54.48 1sfe s PHE 55 Cb 0.07 -1.74 0.31 0.00 -0.57 0.00 0.00 43.02 41.10 1sfe s PHE 55 CO 0.75 -0.78 1.71 -1.35 -0.10 0.00 0.00 175.22 175.45 1sfe h PRO 56 N 6.63 0.68 -0.47 0.24 0.11 -1.56 -3.08 132.00 134.55 1sfe h PRO 56 Ca 0.03 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1sfe h PRO 56 Cb 0.92 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1sfe h PRO 56 CO 0.46 0.80 0.01 0.00 -0.21 0.00 0.00 178.00 179.06 1sfe n ALA 57 N -2.49 3.62 -1.62 -0.75 0.00 -1.26 -4.85 120.51 113.16 1sfe n ALA 57 Ca 0.01 -2.08 -0.43 0.00 0.00 0.00 0.00 53.44 50.94 1sfe n ALA 57 Cb 0.38 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.83 1sfe n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfe n ALA 58 N 0.21 0.24 -2.33 0.00 0.00 -1.16 -4.85 120.51 112.61 1sfe n ALA 58 Ca 0.26 0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.89 1sfe n ALA 58 Cb 1.11 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 1sfe n ALA 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sfe s ASP 59 N -0.56 1.67 0.66 0.00 -1.08 -0.87 -4.98 116.67 111.51 1sfe s ASP 59 Ca 0.59 -0.94 -0.11 0.00 -0.52 0.00 0.00 52.55 51.57 1sfe s ASP 59 Cb -0.62 -0.00 -0.01 0.00 -1.46 0.00 0.00 42.92 40.82 1sfe s ASP 59 CO 0.60 -0.30 1.05 0.54 0.52 0.00 0.00 175.17 177.57 1sfe s ASN 60 N -2.89 5.77 -0.42 -0.34 6.03 -1.26 -1.92 114.94 119.90 1sfe s ASN 60 Ca 0.12 1.53 0.08 0.00 -1.03 0.00 0.00 52.86 53.57 1sfe s ASN 60 Cb 0.01 -2.48 0.27 0.00 -3.03 0.00 0.00 41.25 36.01 1sfe s ASN 60 CO 0.00 -1.18 0.73 0.00 -2.03 0.00 0.00 177.10 174.62 1sfe n ALA 61 N -2.93 0.87 -0.04 3.54 0.00 -1.22 -4.80 120.51 115.93 1sfe n ALA 61 Ca 0.07 -2.60 0.09 0.00 0.00 0.00 0.00 53.44 51.00 1sfe n ALA 61 Cb 0.54 -1.02 0.47 0.00 0.00 0.00 0.00 19.45 19.44 1sfe n ALA 61 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sfe h PRO 62 N 3.74 0.44 -0.01 0.00 0.13 -1.96 -2.42 132.00 131.94 1sfe h PRO 62 Ca -0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1sfe h PRO 62 Cb 0.96 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1sfe h PRO 62 CO 0.39 0.29 -0.47 0.00 -0.23 0.00 0.00 178.00 177.98 1sfe n ALA 63 N -2.50 3.54 -1.95 -0.56 0.00 -1.26 -4.75 120.51 113.03 1sfe n ALA 63 Ca 0.07 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 1sfe n ALA 63 Cb 0.24 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1sfe n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sfe s ASP 64 N -2.73 5.08 0.24 0.00 -1.08 -0.91 -4.80 116.67 112.47 1sfe s ASP 64 Ca 0.17 0.37 -0.06 0.00 -0.52 0.00 0.00 52.55 52.52 1sfe s ASP 64 Cb 0.18 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.46 1sfe s ASP 64 CO 0.63 -2.53 1.81 -0.07 0.52 0.00 0.00 175.17 175.54 1sfe h LEU 65 N 17.24 0.66 -0.57 -1.34 3.38 -1.88 -1.53 115.31 131.27 1sfe h LEU 65 Ca -0.22 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 1sfe h LEU 65 Cb 1.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1sfe h LEU 65 CO 1.20 0.40 -0.67 -0.03 0.09 0.00 0.00 178.44 179.43 1sfe h MET 66 N 0.79 0.21 -0.16 1.13 -1.53 -1.98 -2.53 114.93 110.86 1sfe h MET 66 Ca 0.37 -0.16 -0.09 0.00 -3.44 0.00 0.00 59.70 56.38 1sfe h MET 66 Cb 0.29 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.38 1sfe h MET 66 CO -0.22 0.80 -0.27 0.35 0.14 0.00 0.00 176.91 177.71 1sfe h PHE 67 N 0.14 0.58 -0.15 1.39 3.57 -1.89 -2.88 116.94 117.70 1sfe h PHE 67 Ca -0.01 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1sfe h PHE 67 Cb 1.21 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1sfe h PHE 67 CO 0.02 0.90 0.01 1.96 -2.23 0.00 0.00 178.31 178.97 1sfe h GLN 68 N 0.09 0.21 0.29 1.11 1.08 -1.18 -0.97 115.11 115.75 1sfe h GLN 68 Ca 0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1sfe h GLN 68 Cb 0.85 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1sfe h GLN 68 CO 0.06 0.23 -0.14 1.96 -0.95 0.00 0.00 178.83 179.99 1sfe h GLN 69 N 0.22 -0.37 -0.86 1.46 1.08 -1.41 -2.92 115.11 112.30 1sfe h GLN 69 Ca 0.05 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.44 1sfe h GLN 69 Cb 0.13 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.55 1sfe h GLN 69 CO 0.00 -0.18 0.44 0.45 -0.95 0.00 0.00 178.83 178.60 1sfe h HIS 70 N -0.49 0.77 -0.87 2.96 3.86 -1.15 -0.07 115.15 120.17 1sfe h HIS 70 Ca -0.04 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1sfe h HIS 70 Cb 0.37 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 1sfe h HIS 70 CO -0.03 0.16 0.57 0.28 0.86 0.00 0.00 177.93 179.77 1sfe h VAL 71 N 0.61 1.20 -0.23 2.45 2.07 -1.23 0.22 116.25 121.34 1sfe h VAL 71 Ca 0.48 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.48 1sfe h VAL 71 Cb 0.71 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1sfe h VAL 71 CO -0.38 0.21 -0.41 0.03 0.02 0.00 0.00 177.57 177.04 1sfe h ARG 72 N 1.14 0.56 0.16 1.57 3.08 -0.87 0.14 114.38 120.16 1sfe h ARG 72 Ca 0.33 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1sfe h ARG 72 Cb -0.08 0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1sfe h ARG 72 CO -0.08 0.87 -0.08 0.93 -1.07 0.00 0.00 179.97 180.54 1sfe h GLU 73 N 0.46 -0.21 -0.35 0.04 5.08 -0.55 -2.25 114.58 116.80 1sfe h GLU 73 Ca 0.04 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1sfe h GLU 73 Cb 0.91 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1sfe h GLU 73 CO 0.08 0.00 0.11 0.28 -1.00 0.00 0.00 179.01 178.48 1sfe h VAL 74 N -0.39 0.88 -0.36 3.13 2.07 -0.45 -2.33 116.25 118.80 1sfe h VAL 74 Ca -0.02 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1sfe h VAL 74 Cb 0.30 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1sfe h VAL 74 CO 0.04 0.05 0.10 0.40 0.02 0.00 0.00 177.57 178.17 1sfe h ILE 75 N 0.25 0.85 -0.61 4.57 1.08 -0.66 -2.09 117.51 120.90 1sfe h ILE 75 Ca 0.16 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 1sfe h ILE 75 Cb 0.15 0.60 -0.12 0.00 -3.07 0.00 0.00 36.82 34.38 1sfe h ILE 75 CO -0.17 0.04 -0.20 0.00 -0.69 0.00 0.00 178.15 177.13 1sfe h ALA 76 N 1.26 0.30 0.04 1.87 0.00 -0.86 -0.36 119.26 121.51 1sfe h ALA 76 Ca 0.17 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1sfe h ALA 76 Cb 0.18 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1sfe h ALA 76 CO -0.20 -0.49 -0.30 0.77 0.00 0.00 0.00 179.25 179.03 1sfe h SER 77 N -0.05 -0.89 -0.92 0.00 0.02 -1.13 -2.43 113.55 108.15 1sfe h SER 77 Ca 0.28 0.11 0.19 0.00 -0.84 0.00 0.00 61.79 61.54 1sfe h SER 77 Cb 0.49 0.35 -0.11 0.00 0.14 0.00 0.00 62.40 63.27 1sfe h SER 77 CO -0.65 -0.38 0.48 -0.07 -1.14 0.00 0.00 176.83 175.08 1sfe h LEU 78 N -0.47 0.55 0.00 5.07 4.07 -0.71 -0.97 115.31 122.84 1sfe h LEU 78 Ca 0.05 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1sfe h LEU 78 Cb 0.54 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1sfe h LEU 78 CO -0.23 0.15 -0.31 0.59 -1.08 0.00 0.00 178.44 177.56 1sfe n ASN 79 N -4.90 0.74 -4.90 -0.43 3.02 -0.22 -4.84 115.26 103.73 1sfe n ASN 79 Ca 0.21 0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 54.79 1sfe n ASN 79 Cb 0.58 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 1sfe n ASN 79 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1sfe s GLN 80 N -3.13 3.62 0.18 3.52 -0.21 -0.37 -4.95 119.66 118.33 1sfe s GLN 80 Ca 0.09 -0.08 -0.13 0.00 0.02 0.00 0.00 55.36 55.26 1sfe s GLN 80 Cb 0.13 -2.84 0.15 0.00 1.00 0.00 0.00 33.01 31.46 1sfe s GLN 80 CO 0.66 0.46 1.78 -0.09 -2.12 0.00 0.00 175.29 175.98 1sfe h ARG 81 N 2.79 0.49 -0.37 2.91 2.43 -1.90 -3.37 114.38 117.36 1sfe h ARG 81 Ca -0.46 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 58.45 1sfe h ARG 81 Cb 1.17 -0.11 -0.33 0.00 -0.42 0.00 0.00 29.97 30.27 1sfe h ARG 81 CO 0.72 0.32 -0.90 -3.47 -1.51 0.00 0.00 179.97 175.13 1sfe n ASP 82 N -4.89 0.73 -4.47 -3.80 2.03 -1.26 -4.88 116.55 100.01 1sfe n ASP 82 Ca 0.05 -2.14 -0.43 0.00 0.52 0.00 0.00 54.79 52.78 1sfe n ASP 82 Cb 0.15 -0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.31 1sfe n ASP 82 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1sfe s THR 83 N -2.69 4.93 0.51 5.18 2.01 -1.26 -5.04 115.64 119.28 1sfe s THR 83 Ca 0.23 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 1sfe s THR 83 Cb 0.37 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1sfe s THR 83 CO -0.06 -0.63 1.23 -0.81 -0.69 0.00 0.00 174.62 173.66 1sfe n PRO 84 N 6.00 1.58 -3.22 4.92 -0.04 -1.26 -4.58 135.00 138.40 1sfe n PRO 84 Ca -0.06 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.57 1sfe n PRO 84 Cb 0.47 -2.40 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1sfe n PRO 84 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sfe s LEU 85 N -2.46 4.37 0.11 1.53 0.20 -1.26 -4.87 118.68 116.29 1sfe s LEU 85 Ca 0.69 -0.06 -0.07 0.00 0.69 0.00 0.00 54.13 55.38 1sfe s LEU 85 Cb -0.45 -2.61 -0.16 0.00 -0.43 0.00 0.00 46.19 42.54 1sfe s LEU 85 CO 0.52 -0.52 1.24 0.74 -0.29 0.00 0.00 176.35 178.04 1sfe h THR 86 N 5.64 1.39 -3.19 3.68 2.02 -1.96 -3.47 112.91 117.02 1sfe h THR 86 Ca -0.27 -2.52 -0.56 0.00 0.77 0.00 0.00 66.41 63.83 1sfe h THR 86 Cb 1.12 2.53 0.19 0.00 -1.74 0.00 0.00 68.15 70.25 1sfe h THR 86 CO 0.79 0.75 -0.44 0.18 0.37 0.00 0.00 175.52 177.17 1sfe n LEU 87 N -3.73 0.61 -4.76 2.58 4.77 -1.26 -4.87 117.00 110.33 1sfe n LEU 87 Ca -0.08 0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1sfe n LEU 87 Cb 0.89 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1sfe n LEU 87 CO 0.53 -3.21 1.16 -2.84 -1.33 0.00 0.00 177.39 171.70 1sfe s PRO 88 N -2.78 4.16 -0.11 3.23 0.02 -1.26 -4.90 135.00 133.35 1sfe s PRO 88 Ca 0.64 2.51 -0.05 0.00 0.02 0.00 0.00 61.00 64.12 1sfe s PRO 88 Cb -0.34 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 1sfe s PRO 88 CO 0.59 -0.52 0.08 -0.51 -0.33 0.00 0.00 177.00 176.30 1sfe s LEU 89 N -1.25 4.02 -0.96 -5.54 1.43 -1.26 -1.41 118.68 113.71 1sfe s LEU 89 Ca 0.57 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1sfe s LEU 89 Cb -0.46 -1.96 0.24 0.00 0.03 0.00 0.00 46.19 44.04 1sfe s LEU 89 CO 0.54 0.37 0.89 -0.62 0.23 0.00 0.00 176.35 177.76 1sfe s ASP 90 N -0.81 6.48 -0.27 2.29 2.15 0.13 -4.66 116.67 121.97 1sfe s ASP 90 Ca 0.13 -3.60 -0.26 0.00 0.43 0.00 0.00 52.55 49.26 1sfe s ASP 90 Cb -0.12 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1sfe s ASP 90 CO 0.03 -0.24 0.89 -0.63 -0.17 0.00 0.00 175.17 175.04 1sfe s ILE 91 N -1.20 4.74 -0.15 4.11 1.01 -1.26 -4.36 121.20 124.09 1sfe s ILE 91 Ca 0.28 1.55 -0.00 0.00 0.00 0.00 0.00 60.65 62.47 1sfe s ILE 91 Cb -0.09 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1sfe s ILE 91 CO -0.10 -0.21 -0.13 -0.13 0.00 0.00 0.00 174.94 174.36 1sfe s ARG 92 N 3.07 3.30 0.00 2.79 0.52 -1.26 -5.09 118.95 122.29 1sfe s ARG 92 Ca 0.37 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1sfe s ARG 92 Cb -0.14 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1sfe s ARG 92 CO 0.10 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.92 1sfe n GLY 93 N 3.88 -2.05 3.80 -3.53 0.00 -1.26 -5.02 105.19 101.01 1sfe n GLY 93 Ca -0.19 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1sfe n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfe s THR 94 N -2.03 3.08 0.17 2.61 -4.23 -1.26 -4.77 115.64 109.22 1sfe s THR 94 Ca 0.00 0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1sfe s THR 94 Cb 0.00 -3.06 0.09 0.00 1.34 0.00 0.00 72.50 70.87 1sfe s THR 94 CO 0.00 -0.46 1.69 0.00 -0.54 0.00 0.00 174.62 175.31 1sfe h ALA 95 N -1.12 0.38 -0.11 3.99 0.00 -2.01 0.19 119.26 120.58 1sfe h ALA 95 Ca -0.47 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1sfe h ALA 95 Cb 1.27 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1sfe h ALA 95 CO 0.58 -0.40 -0.06 0.35 0.00 0.00 0.00 179.25 179.73 1sfe h PHE 96 N 0.10 -0.14 -0.61 0.00 3.57 -1.98 0.78 116.94 118.66 1sfe h PHE 96 Ca 0.21 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1sfe h PHE 96 Cb 0.31 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1sfe h PHE 96 CO -0.29 -0.09 0.38 1.96 -2.23 0.00 0.00 178.31 178.03 1sfe h GLN 97 N -0.05 0.73 -0.75 1.11 4.20 -1.78 0.30 115.11 118.87 1sfe h GLN 97 Ca 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1sfe h GLN 97 Cb 0.15 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1sfe h GLN 97 CO -0.14 0.48 0.38 1.96 -0.67 0.00 0.00 178.83 180.84 1sfe h GLN 98 N 0.75 1.06 -0.41 1.46 4.20 -0.19 0.35 115.11 122.33 1sfe h GLN 98 Ca 0.24 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1sfe h GLN 98 Cb 0.01 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1sfe h GLN 98 CO -0.10 0.81 0.19 1.96 -0.67 0.00 0.00 178.83 181.03 1sfe h GLN 99 N 1.04 0.58 -0.01 1.46 4.20 0.12 0.21 115.11 122.71 1sfe h GLN 99 Ca 0.26 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1sfe h GLN 99 Cb 0.08 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1sfe h GLN 99 CO -0.04 0.51 0.01 0.28 -0.67 0.00 0.00 178.83 178.92 1sfe h VAL 100 N 0.52 1.10 -0.93 -0.54 2.07 0.67 -1.95 116.25 117.18 1sfe h VAL 100 Ca 0.14 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1sfe h VAL 100 Cb 0.12 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1sfe h VAL 100 CO -0.02 0.08 0.54 -0.50 0.02 0.00 0.00 177.57 177.69 1sfe h TRP 101 N -0.10 1.25 -0.54 1.57 6.55 -0.17 -1.39 115.95 123.11 1sfe h TRP 101 Ca 0.00 -0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.85 1sfe h TRP 101 Cb 0.12 -0.41 -0.03 0.00 -0.86 0.00 0.00 29.16 27.98 1sfe h TRP 101 CO -0.04 0.84 0.34 0.37 -1.05 0.00 0.00 178.44 178.90 1sfe h GLN 102 N 1.29 0.67 -0.02 0.49 5.75 -0.54 -1.82 115.11 120.93 1sfe h GLN 102 Ca 0.33 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.68 1sfe h GLN 102 Cb -0.03 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 1sfe h GLN 102 CO -0.06 0.44 -0.50 0.00 -2.65 0.00 0.00 178.83 176.06 1sfe h ALA 103 N 1.22 1.13 -0.81 3.38 0.00 -0.94 -2.02 119.26 121.23 1sfe h ALA 103 Ca 0.21 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.80 1sfe h ALA 103 Cb -0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 1sfe h ALA 103 CO -0.07 0.63 0.39 -0.07 0.00 0.00 0.00 179.25 180.14 1sfe h LEU 104 N 0.04 0.45 -0.73 0.00 3.38 -0.72 -2.05 115.31 115.68 1sfe h LEU 104 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sfe h LEU 104 Cb 0.90 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1sfe h LEU 104 CO 0.07 0.19 0.00 0.54 0.09 0.00 0.00 178.44 179.33 1sfe n ARG 105 N -4.91 0.11 0.00 1.13 1.74 -0.73 -1.66 116.66 112.34 1sfe n ARG 105 Ca 0.16 0.49 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1sfe n ARG 105 Cb 0.42 -1.78 0.11 0.00 -1.02 0.00 0.00 32.46 30.20 1sfe n ARG 105 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sfe n THR 106 N -1.99 0.00 -2.13 0.55 -2.24 -0.77 -4.87 114.28 102.83 1sfe n THR 106 Ca 0.01 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1sfe n THR 106 Cb 0.10 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1sfe n THR 106 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sfe s ILE 107 N -2.26 3.56 0.49 2.28 1.01 -0.66 -4.95 121.20 120.67 1sfe s ILE 107 Ca 0.24 0.92 -0.23 0.00 0.00 0.00 0.00 60.65 61.58 1sfe s ILE 107 Cb 0.19 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 1sfe s ILE 107 CO 0.44 -0.02 1.27 -2.16 0.00 0.00 0.00 174.94 174.47 1sfe s PRO 108 N 2.72 3.50 0.14 2.79 0.04 -1.26 -4.92 135.00 138.01 1sfe s PRO 108 Ca 0.67 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 63.42 1sfe s PRO 108 Cb -0.33 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 1sfe s PRO 108 CO 0.28 -0.83 1.73 0.00 0.04 0.00 0.00 177.00 178.22 1sfe n GLY 110 N 4.06 0.65 3.37 0.00 0.00 -1.25 -5.01 105.19 107.01 1sfe n GLY 110 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1sfe n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sfe s GLU 111 N -0.67 1.40 0.07 1.61 2.02 -0.80 -4.72 118.70 117.62 1sfe s GLU 111 Ca 0.00 -1.59 0.08 0.00 0.02 0.00 0.00 54.97 53.48 1sfe s GLU 111 Cb 0.00 -1.33 -0.03 0.00 0.10 0.00 0.00 34.13 32.87 1sfe s GLU 111 CO 0.00 0.24 -0.22 0.95 0.02 0.00 0.00 175.26 176.25 1sfe s THR 112 N -2.65 1.82 0.15 3.63 -4.23 -1.26 -4.77 115.64 108.33 1sfe s THR 112 Ca 0.23 -1.41 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1sfe s THR 112 Cb -0.03 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1sfe s THR 112 CO 0.09 0.12 -0.23 0.68 -0.54 0.00 0.00 174.62 174.74 1sfe s VAL 113 N -0.95 2.09 0.56 2.29 -7.23 -0.87 -5.00 120.40 111.29 1sfe s VAL 113 Ca 0.09 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1sfe s VAL 113 Cb -0.09 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1sfe s VAL 113 CO 0.03 -0.07 0.88 -0.94 -0.31 0.00 0.00 175.10 174.69 1sfe s SER 114 N -2.30 5.83 0.19 4.85 1.04 -1.26 -1.22 113.70 120.83 1sfe s SER 114 Ca 0.15 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.30 1sfe s SER 114 Cb -0.09 -1.93 0.22 0.00 0.10 0.00 0.00 66.02 64.33 1sfe s SER 114 CO 0.07 -0.92 1.72 1.88 0.98 0.00 0.00 173.24 176.98 1sfe h TYR 115 N -0.08 0.23 -0.62 5.02 0.05 -1.61 -2.19 116.97 117.77 1sfe h TYR 115 Ca -0.46 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.35 1sfe h TYR 115 Cb 1.24 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.93 1sfe h TYR 115 CO 0.52 0.02 0.39 0.37 -1.05 0.00 0.00 178.16 178.41 1sfe h GLN 116 N 0.28 0.84 -0.56 4.88 5.75 -1.91 0.69 115.11 125.07 1sfe h GLN 116 Ca 0.27 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 1sfe h GLN 116 Cb 0.35 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1sfe h GLN 116 CO -0.32 0.59 0.32 1.96 -2.65 0.00 0.00 178.83 178.72 1sfe h GLN 117 N 0.84 0.59 -0.75 1.69 4.20 -1.88 0.38 115.11 120.19 1sfe h GLN 117 Ca 0.22 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1sfe h GLN 117 Cb -0.04 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1sfe h GLN 117 CO -0.04 0.39 0.50 1.25 -0.67 0.00 0.00 178.83 180.26 1sfe h LEU 118 N 0.61 0.86 -0.67 1.46 6.46 -1.21 0.47 115.31 123.30 1sfe h LEU 118 Ca 0.24 -0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.88 1sfe h LEU 118 Cb 0.09 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1sfe h LEU 118 CO -0.13 0.63 0.04 0.00 -0.62 0.00 0.00 178.44 178.35 1sfe h ALA 119 N 1.27 0.88 -0.22 1.25 0.00 -0.10 -2.68 119.26 119.67 1sfe h ALA 119 Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sfe h ALA 119 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1sfe h ALA 119 CO -0.06 0.67 0.09 -0.91 0.00 0.00 0.00 179.25 179.03 1sfe h ASN 120 N 0.99 0.31 -0.18 0.00 -0.26 0.18 -1.58 115.58 115.04 1sfe h ASN 120 Ca 0.18 -0.16 0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1sfe h ASN 120 Cb 0.51 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1sfe h ASN 120 CO 0.02 0.39 0.12 0.00 -1.06 0.00 0.00 177.43 176.90 1sfe h ALA 121 N 0.93 1.99 -0.19 -0.83 0.00 -0.01 -2.36 119.26 118.79 1sfe h ALA 121 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sfe h ALA 121 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sfe h ALA 121 CO -0.01 -0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.66 1sfe n ILE 122 N -4.50 0.24 -0.24 0.00 -5.35 -1.02 -4.93 119.36 103.55 1sfe n ILE 122 Ca 0.00 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1sfe n ILE 122 Cb 0.16 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 1sfe n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sfe n GLY 123 N 1.25 0.88 2.50 3.28 0.00 -0.89 -5.03 105.19 107.18 1sfe n GLY 123 Ca 0.17 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1sfe n GLY 123 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sfe n LYS 124 N -2.24 0.60 -0.30 1.61 0.00 -0.61 -4.97 118.16 112.24 1sfe n LYS 124 Ca 0.00 -3.49 0.12 0.00 -0.00 0.00 0.00 58.31 54.94 1sfe n LYS 124 Cb 0.00 -1.80 0.35 0.00 -0.00 0.00 0.00 35.03 33.57 1sfe n LYS 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1sfe h PRO 125 N 5.51 0.74 -0.10 -1.58 0.11 -1.85 -1.82 132.00 133.01 1sfe h PRO 125 Ca 0.24 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1sfe h PRO 125 Cb 0.87 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1sfe h PRO 125 CO 0.46 0.49 -0.19 1.57 -0.21 0.00 0.00 178.00 180.12 1sfe h LYS 126 N 0.76 0.16 -1.45 1.05 2.10 -1.93 -3.37 116.57 113.89 1sfe h LYS 126 Ca 0.48 -0.04 -0.39 0.00 -2.00 0.00 0.00 60.65 58.70 1sfe h LYS 126 Cb 0.73 -0.02 -0.17 0.00 -0.90 0.00 0.00 32.23 31.88 1sfe h LYS 126 CO -0.25 0.35 0.50 0.00 -2.00 0.00 0.00 179.45 178.05 1sfe n ALA 127 N -2.49 5.37 -0.19 0.07 0.00 -0.68 -4.65 120.51 117.94 1sfe n ALA 127 Ca -0.01 -2.01 -0.02 0.00 0.00 0.00 0.00 53.44 51.40 1sfe n ALA 127 Cb 0.29 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.36 1sfe n ALA 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sfe h VAL 128 N 1.03 0.88 0.07 0.00 2.07 -1.79 -1.29 116.25 117.22 1sfe h VAL 128 Ca 0.35 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1sfe h VAL 128 Cb 0.89 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1sfe h VAL 128 CO 0.91 0.09 -0.08 -0.09 0.02 0.00 0.00 177.57 178.42 1sfe h ARG 129 N 0.48 -0.17 -0.37 1.57 9.65 -1.96 -1.35 114.38 122.23 1sfe h ARG 129 Ca 0.27 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 1sfe h ARG 129 Cb 0.25 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1sfe h ARG 129 CO -0.22 -0.12 0.04 0.00 2.80 0.00 0.00 179.97 182.47 1sfe h ALA 130 N 0.74 1.39 -0.28 2.80 0.00 -1.88 -1.83 119.26 120.19 1sfe h ALA 130 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sfe h ALA 130 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sfe h ALA 130 CO -0.03 0.43 0.02 -0.39 0.00 0.00 0.00 179.25 179.28 1sfe h VAL 131 N 0.54 1.24 -0.63 0.00 -1.51 -0.96 -0.83 116.25 114.10 1sfe h VAL 131 Ca 0.12 -0.86 0.12 0.00 -1.23 0.00 0.00 66.70 64.85 1sfe h VAL 131 Cb 0.29 1.26 -0.09 0.00 -2.13 0.00 0.00 31.29 30.61 1sfe h VAL 131 CO 0.00 0.28 0.14 0.00 -1.23 0.00 0.00 177.57 176.76 1sfe h ALA 132 N 0.85 0.76 -0.31 5.19 0.00 -0.86 -0.52 119.26 124.37 1sfe h ALA 132 Ca 0.08 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1sfe h ALA 132 Cb 0.38 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sfe h ALA 132 CO 0.01 -0.31 -0.16 0.77 0.00 0.00 0.00 179.25 179.56 1sfe h SER 133 N 0.26 0.55 -0.54 0.00 0.02 -1.22 -2.73 113.55 109.90 1sfe h SER 133 Ca 0.34 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1sfe h SER 133 Cb 0.52 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1sfe h SER 133 CO -0.43 0.73 -0.09 0.00 -1.14 0.00 0.00 176.83 175.90 1sfe h ALA 134 N 1.33 0.73 -0.74 3.77 0.00 0.37 -2.57 119.26 122.15 1sfe h ALA 134 Ca 0.09 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1sfe h ALA 134 Cb 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sfe h ALA 134 CO 0.04 0.63 0.24 0.00 0.00 0.00 0.00 179.25 180.15 1sfe n ALA 136 N -2.45 2.15 1.09 0.00 0.00 -1.04 -2.68 120.51 117.58 1sfe n ALA 136 Ca 0.06 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1sfe n ALA 136 Cb 0.22 -1.42 0.35 0.00 0.00 0.00 0.00 19.45 18.60 1sfe n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfe n ALA 137 N -1.60 2.51 -1.81 0.00 0.00 -0.98 -4.68 120.51 113.95 1sfe n ALA 137 Ca 0.06 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1sfe n ALA 137 Cb 0.33 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1sfe n ALA 137 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1sfe s ASN 138 N -1.66 6.50 0.00 0.00 2.47 -1.09 -4.94 114.94 116.22 1sfe s ASN 138 Ca 0.34 2.83 0.15 0.00 0.42 0.00 0.00 52.86 56.60 1sfe s ASN 138 Cb 0.19 -2.63 0.25 0.00 -1.45 0.00 0.00 41.25 37.61 1sfe s ASN 138 CO 0.29 -0.81 1.14 0.29 -3.72 0.00 0.00 177.10 174.29 1sfe n LYS 139 N 2.00 1.86 -3.64 0.43 5.02 -1.26 -4.77 118.16 117.80 1sfe n LYS 139 Ca 0.06 -1.77 -0.27 0.00 -2.02 0.00 0.00 58.31 54.31 1sfe n LYS 139 Cb 0.39 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 1sfe n LYS 139 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sfe n LEU 140 N 0.84 2.33 -4.63 -0.35 4.77 -1.26 -0.90 117.00 117.81 1sfe n LEU 140 Ca 0.12 -5.07 -0.43 0.00 -0.03 0.00 0.00 56.01 50.60 1sfe n LEU 140 Cb 0.42 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1sfe n LEU 140 CO 0.10 1.87 0.66 0.00 -1.33 0.00 0.00 177.39 178.69 1sfe n ALA 141 N 1.82 0.34 0.00 -1.18 0.00 -0.69 -2.21 120.51 118.59 1sfe n ALA 141 Ca 0.24 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1sfe n ALA 141 Cb 0.40 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1sfe n ALA 141 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1sfe n ILE 142 N -0.09 0.00 -0.20 0.00 5.41 -1.26 -4.48 119.36 118.73 1sfe n ILE 142 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.84 1sfe n ILE 142 Cb 0.36 0.00 0.26 0.00 -0.71 0.00 0.00 39.64 39.55 1sfe n ILE 142 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1sfe h VAL 143 N 0.00 1.18 -3.53 1.39 2.07 -1.98 -3.20 116.25 112.18 1sfe h VAL 143 Ca 0.00 -0.34 -0.70 0.00 0.82 0.00 0.00 66.70 66.48 1sfe h VAL 143 Cb 0.00 0.11 -0.32 0.00 -1.52 0.00 0.00 31.29 29.56 1sfe h VAL 143 CO 0.00 0.18 -0.56 -0.63 0.02 0.00 0.00 177.57 176.58 1sfe s ILE 144 N -5.83 3.49 -1.59 4.57 1.01 -0.94 -4.90 121.20 117.01 1sfe s ILE 144 Ca -0.11 -1.74 -0.11 0.00 0.00 0.00 0.00 60.65 58.69 1sfe s ILE 144 Cb 0.18 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1sfe s ILE 144 CO 0.78 -0.53 2.79 -0.81 0.00 0.00 0.00 174.94 177.17 1sfe n PRO 145 N 4.69 3.51 0.00 2.79 -0.04 -1.21 -4.66 135.00 140.08 1sfe n PRO 145 Ca -0.07 -2.30 0.06 0.00 -0.04 0.00 0.00 63.50 61.15 1sfe n PRO 145 Cb 0.42 -2.91 0.28 0.00 -0.04 0.00 0.00 33.50 31.25 1sfe n PRO 145 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfe h HIS 147 N 0.00 0.00 0.00 0.00 2.07 -1.95 -3.17 115.15 112.10 1sfe h HIS 147 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sfe h HIS 147 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 1sfe h HIS 147 CO 0.00 0.00 -0.19 0.54 -3.07 0.00 0.00 177.93 175.21 1sfe n ARG 148 N -2.76 0.28 -3.45 5.12 1.74 -0.10 -4.78 116.66 112.71 1sfe n ARG 148 Ca 0.02 0.18 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 1sfe n ARG 148 Cb 0.34 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 1sfe n ARG 148 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sfe s VAL 149 N -3.12 5.04 0.12 1.55 1.01 -1.20 -2.04 120.40 121.76 1sfe s VAL 149 Ca 0.09 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.01 1sfe s VAL 149 Cb 0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1sfe s VAL 149 CO 0.64 0.53 -0.14 0.68 0.00 0.00 0.00 175.10 176.80 1sfe s VAL 150 N -0.72 1.31 0.63 2.92 -7.23 -0.36 -4.96 120.40 111.99 1sfe s VAL 150 Ca 0.24 -1.72 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 1sfe s VAL 150 Cb -0.17 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1sfe s VAL 150 CO 0.13 -0.43 1.07 0.00 -0.31 0.00 0.00 175.10 175.56 1sfe s ARG 151 N -2.70 3.11 0.00 4.82 1.70 -1.26 -1.54 118.95 123.08 1sfe s ARG 151 Ca 0.09 1.23 0.17 0.00 -0.47 0.00 0.00 55.73 56.75 1sfe s ARG 151 Cb -0.05 -2.00 0.73 0.00 -0.57 0.00 0.00 34.95 33.06 1sfe s ARG 151 CO 0.03 -0.98 1.54 0.41 -1.08 0.00 0.00 175.30 175.21 1sfe n GLY 152 N -0.94 -1.06 0.00 3.88 0.00 -1.26 -4.18 105.19 101.62 1sfe n GLY 152 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1sfe n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sfe n ASP 153 N -1.48 0.00 0.00 1.61 5.75 -1.26 -4.87 116.55 116.30 1sfe n ASP 153 Ca 0.04 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1sfe n ASP 153 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1sfe n ASP 153 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sfe n GLY 154 N 0.64 0.70 3.90 6.12 0.00 -1.26 -5.06 105.19 110.22 1sfe n GLY 154 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1sfe n GLY 154 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfe s SER 155 N -1.86 6.49 -0.49 1.61 1.04 -1.26 -4.99 113.70 114.24 1sfe s SER 155 Ca 0.00 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.24 1sfe s SER 155 Cb 0.00 -2.17 0.56 0.00 0.10 0.00 0.00 66.02 64.51 1sfe s SER 155 CO 0.00 -0.17 1.85 0.18 0.98 0.00 0.00 173.24 176.08 1sfe n LEU 156 N -0.73 6.57 -4.93 2.42 4.77 -1.26 -4.31 117.00 119.53 1sfe n LEU 156 Ca -0.01 -3.93 -0.28 0.00 -0.03 0.00 0.00 56.01 51.76 1sfe n LEU 156 Cb 0.53 -0.83 0.14 0.00 -2.33 0.00 0.00 43.42 40.94 1sfe n LEU 156 CO 0.47 1.29 0.77 -0.94 -1.33 0.00 0.00 177.39 177.65 1sfe s SER 157 N -1.80 3.83 0.00 -1.43 1.04 -1.26 -4.41 113.70 109.67 1sfe s SER 157 Ca 0.57 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1sfe s SER 157 Cb 0.47 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1sfe s SER 157 CO 0.05 -2.27 0.00 0.61 0.98 0.00 0.00 173.24 172.61 1sfe n GLY 158 N -3.41 2.39 3.77 7.32 0.00 -1.26 -4.66 105.19 109.34 1sfe n GLY 158 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1sfe n GLY 158 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sfe s TYR 159 N -2.28 3.06 0.32 1.61 5.04 -1.26 -4.61 117.35 119.23 1sfe s TYR 159 Ca 0.00 1.45 0.08 0.00 -2.44 0.00 0.00 57.07 56.16 1sfe s TYR 159 Cb 0.00 -3.63 0.55 0.00 0.35 0.00 0.00 41.96 39.23 1sfe s TYR 159 CO 0.00 -1.74 1.76 -0.09 -1.34 0.00 0.00 175.55 174.14 1sfe h ARG 160 N 3.27 0.21 -0.38 4.97 2.43 -1.88 -2.91 114.38 120.11 1sfe h ARG 160 Ca -0.49 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.41 1sfe h ARG 160 Cb 1.23 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 1sfe h ARG 160 CO 0.65 0.54 -0.03 0.91 -1.51 0.00 0.00 179.97 180.53 1sfe n TRP 161 N -4.08 1.19 0.00 2.20 8.01 -1.26 -5.07 117.44 118.42 1sfe n TRP 161 Ca -0.01 -1.54 0.00 0.00 -1.31 0.00 0.00 57.50 54.64 1sfe n TRP 161 Cb 0.43 -0.50 0.00 0.00 -2.01 0.00 0.00 31.31 29.23 1sfe n TRP 161 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfe n GLY 162 N -1.06 0.48 0.20 6.99 0.00 -1.10 -4.46 105.19 106.24 1sfe n GLY 162 Ca 0.34 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1sfe n GLY 162 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1sfe h VAL 163 N 0.00 1.33 -0.58 1.61 3.04 -1.86 -1.84 116.25 117.96 1sfe h VAL 163 Ca 0.00 -2.08 -0.05 0.00 -1.01 0.00 0.00 66.70 63.55 1sfe h VAL 163 Cb 0.00 2.07 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 1sfe h VAL 163 CO 0.00 0.64 0.14 -1.28 -1.01 0.00 0.00 177.57 176.06 1sfe h SER 164 N 0.39 0.83 0.20 3.17 0.87 -1.94 0.79 113.55 117.87 1sfe h SER 164 Ca -0.04 -0.15 -0.28 0.00 -1.23 0.00 0.00 61.79 60.08 1sfe h SER 164 Cb 1.37 -0.22 0.03 0.00 -0.44 0.00 0.00 62.40 63.14 1sfe h SER 164 CO 0.14 0.81 -1.22 0.03 -0.53 0.00 0.00 176.83 176.07 1sfe h ARG 165 N 0.85 0.47 -0.23 2.24 3.08 -1.73 -1.27 114.38 117.79 1sfe h ARG 165 Ca 0.19 -0.78 0.04 0.00 0.07 0.00 0.00 59.98 59.50 1sfe h ARG 165 Cb 0.31 0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1sfe h ARG 165 CO -0.00 1.37 -0.03 -0.22 -1.07 0.00 0.00 179.97 180.01 1sfe h LYS 166 N -0.02 0.03 -0.59 0.04 3.64 -1.19 0.16 116.57 118.64 1sfe h LYS 166 Ca -0.21 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1sfe h LYS 166 Cb 1.96 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.74 1sfe h LYS 166 CO 0.23 0.02 0.33 0.00 -2.27 0.00 0.00 179.45 177.76 1sfe h ALA 167 N 1.21 0.76 -0.64 5.00 0.00 -0.89 -1.23 119.26 123.48 1sfe h ALA 167 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sfe h ALA 167 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1sfe h ALA 167 CO -0.21 0.27 0.42 0.37 0.00 0.00 0.00 179.25 180.10 1sfe h GLN 168 N 0.80 0.85 -0.05 0.00 4.15 -0.69 -2.00 115.11 118.17 1sfe h GLN 168 Ca 0.21 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1sfe h GLN 168 Cb 0.04 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1sfe h GLN 168 CO -0.03 0.57 0.01 -0.07 -1.93 0.00 0.00 178.83 177.37 1sfe h LEU 169 N 0.87 0.08 -1.64 -2.39 3.38 -0.48 -2.53 115.31 112.60 1sfe h LEU 169 Ca 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1sfe h LEU 169 Cb -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1sfe h LEU 169 CO -0.05 0.30 0.07 -0.07 0.09 0.00 0.00 178.44 178.78 1sfe h LEU 170 N -0.15 0.27 -0.36 1.67 3.38 -1.19 -2.26 115.31 116.66 1sfe h LEU 170 Ca 0.02 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1sfe h LEU 170 Cb 0.26 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1sfe h LEU 170 CO 0.00 0.27 -0.62 -0.09 0.09 0.00 0.00 178.44 178.09 1sfe h ARG 171 N 0.30 0.68 0.00 1.13 2.43 -1.33 -2.23 114.38 115.36 1sfe h ARG 171 Ca 0.08 -0.47 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 1sfe h ARG 171 Cb 0.10 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1sfe h ARG 171 CO -0.01 1.09 -0.55 0.07 -1.51 0.00 0.00 179.97 179.07 1sfe h ARG 172 N 0.51 0.00 0.00 0.20 0.11 -0.97 -3.23 114.38 111.00 1sfe h ARG 172 Ca -0.01 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 1sfe h ARG 172 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1sfe h ARG 172 CO 0.12 0.55 -0.83 0.93 0.10 0.00 0.00 179.97 180.84 1sfe h GLU 173 N 0.00 0.00 -3.08 0.08 5.08 -1.41 -3.36 114.58 111.89 1sfe h GLU 173 Ca -0.01 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.55 1sfe h GLU 173 Cb 1.07 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.04 1sfe h GLU 173 CO 0.07 0.26 0.67 0.00 -1.00 0.00 0.00 179.01 179.01 1sfe n ALA 174 N -2.25 4.91 -2.61 3.43 0.00 -0.85 -3.78 120.51 119.36 1sfe n ALA 174 Ca -0.02 -4.77 -0.31 0.00 0.00 0.00 0.00 53.44 48.34 1sfe n ALA 174 Cb 0.70 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.70 1sfe n ALA 174 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sfe s GLU 175 N -2.39 2.44 0.00 0.00 -6.30 -1.26 -4.84 118.70 106.35 1sfe s GLU 175 Ca 0.31 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.96 1sfe s GLU 175 Cb 0.01 -2.46 0.00 0.00 0.00 0.00 0.00 34.13 31.68 1sfe s GLU 175 CO 0.05 0.57 0.00 0.09 0.02 0.00 0.00 175.26 175.99